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All-Atom
Contacts
Clashscore, all atoms:1.74 99th percentile* (N=819, 1.70Å ± 0.25Å)
Clashscore is the number of serious steric overlaps (> 0.4 Å) per 1000 atoms.
Protein
Geometry
Poor rotamers252.92% Goal: <0.3%
Favored rotamers79292.63% Goal: >98%
Ramachandran outliers60.65% Goal: <0.05%
Ramachandran favored90297.09% Goal: >98%
Rama distribution Z-score-0.45 ± 0.25 Goal: abs(Z score) < 2
MolProbity score^1.4494th percentile* (N=9248, 1.70Å ± 0.25Å)
Cβ deviations >0.25Å20.22% Goal: 0
Bad bonds:21 / 79550.26% Goal: 0%
Bad angles:14 / 107390.13% Goal: <0.1%
Peptide Omegas Cis Prolines: 0 / 34 0.00% Expected: ≤1 per chain, or ≤5%
Additional validations Chiral volume outliers0/1159
Waters with clashes2/6700.30%See UnDowser table for details
In the two column results, the left column gives the raw count, right column gives the percentage.
* 100th percentile is the best among structures of comparable resolution; 0th percentile is the worst. For clashscore the comparative set of structures was selected in 2004, for MolProbity score in 2006.
^ MolProbity score combines the clashscore, rotamer, and Ramachandran evaluations into a single score, normalized to be on the same scale as X-ray resolution.
Key to table colors and cutoffs here:

#AltResHigh BClash > 0.4ÅRamachandranRotamerCβ deviationBond lengthsBond anglesCis Peptides
Avg: 37.75Clashscore: 1.74Outliers: 6 of 934Poor rotamers: 25 of 855Outliers: 2 of 892Outliers: 9 of 966Outliers: 14 of 966Non-Trans: 0 of 947
A 4 ARG29.34--Favored (26%) ttt-90
chi angles: 204,178,182.5,261.6
0.03Å---
A 5 ARG69.37-Favored (61.31%)
General / -72.6,-13.1
Favored (45.5%) mtp180
chi angles: 300.5,200.1,73.5,188.4
0.07Å---
A 6 TRP24.99-Favored (56.88%)
General / -70.9,-9.0
Favored (12.7%) p-90
chi angles: 39.4,266.6
0.09Å---
A 7 PHE24.28-Favored (32.26%)
General / -94.3,118.9
Favored (53.7%) t80
chi angles: 189.9,82.2
0.10Å---
A 8 HIS25.38-Favored (60.05%)
Pre-Pro / -109.2,111.5
Favored (8.8%) m-70
chi angles: 298.3,233.4
0.05Å---
A 9 PRO29.8-Favored (14.8%)
Trans-Pro / -77.1,-17.8
Favored (73.8%) Cg_endo
chi angles: 29,325,27
0.05Å---
A 10 ASN56.75-Favored (9.78%)
General / -123.3,20.0
Favored (69.3%) m-40
chi angles: 291.3,301.8
0.04Å---
A 11 ILE40.4-Favored (6.3%)
Ile or Val / -101.8,150.1
Favored (34.5%) pt
chi angles: 60.5,166
0.14Å---
A 12 THR37.56-Favored (13.81%)
General / -84.9,169.7
Favored (76.3%) p
chi angles: 61.2
0.09Å---
A 13 GLY35.41-Favored (97.18%)
Glycine / -60.4,-40.1
-----
A 14 VAL37.38-Favored (94.22%)
Ile or Val / -65.5,-43.7
Favored (36.3%) t
chi angles: 184.2
0.14Å---
A 15 GLU58.41-Favored (98.61%)
General / -61.3,-42.4
Favored (61.7%) mt-10
chi angles: 281.4,172.4,329.1
0.02Å---
A 16 ALA33.88-Favored (80.41%)
General / -59.8,-48.8
-0.04Å---
A 17 GLU57.76-Favored (76.63%)
General / -60.0,-49.7
Favored (62.2%) mt-10
chi angles: 280.9,171.6,12.3
0.05Å---
A 18 ASN61.16-Favored (79.46%)
General / -61.3,-36.2
Favored (77.2%) m-40
chi angles: 293.3,350.5
0.07Å---
A 19 LEU44.37-Favored (77.66%)
General / -66.3,-46.2
Allowed (1.8%) mt
chi angles: 257.7,178.3
0.04Å---
A 20 LEU35.31-Favored (70.95%)
General / -71.6,-37.3
Favored (43.8%) mt
chi angles: 291.5,162.2
0.03Å---
A 21 LEU41.14-Favored (59.74%)
General / -75.5,-29.9
Favored (57.1%) mt
chi angles: 285.4,169.5
0.10Å---
A 22 THR42.45-Favored (10.02%)
General / -100.3,-34.3
Favored (27.8%) p
chi angles: 70.1
0.11Å---
A 23 ARG99.46-Favored (13.79%)
General / -112.7,-8.5
Favored (35.4%) mmm-85
chi angles: 311.4,288.2,309.6,278.2
0.05Å---
#AltResHigh BClash > 0.4ÅRamachandranRotamerCβ deviationBond lengthsBond anglesCis Peptides
Avg: 37.75Clashscore: 1.74Outliers: 6 of 934Poor rotamers: 25 of 855Outliers: 2 of 892Outliers: 9 of 966Outliers: 14 of 966Non-Trans: 0 of 947
A 24 GLY32.81-Favored (20.63%)
Glycine / -110.6,-179.0
-----
A 25 VAL29.84-Favored (10.57%)
Ile or Val / -134.6,175.7
Favored (30.5%) m
chi angles: 296.7
0.08Å---
A 26 ASP43.52-Favored (25.12%)
General / -60.7,125.8
Favored (87.8%) m-30
chi angles: 292.1,350.1
0.06Å---
A 27 GLY27.01-Favored (53.05%)
Glycine / 103.7,-10.8
-----
A 28 SER26.92-Favored (48.7%)
General / -72.2,144.0
Favored (46.4%) m
chi angles: 290.7
0.04Å---
A 29 PHE25.94-Favored (40.16%)
General / -150.4,162.6
Favored (44.8%) p90
chi angles: 71.1,272.4
0.02Å---
A 30 LEU26.32-Favored (40.35%)
General / -154.9,159.2
Favored (3.4%) pp
chi angles: 59.5,81
0.05Å---
A 31 ALA22.28-Favored (36.62%)
General / -119.4,152.5
-0.05Å---
A 32 ARG42.14-Favored (29.37%)
Pre-Pro / -153.6,161.4
Favored (23.2%) ptt90
chi angles: 57.8,198.5,169.4,78.6
0.08Å---
A 33 PRO32.26-Favored (32.04%)
Trans-Pro / -75.3,146.9
Favored (3.4%) Cg_exo
chi angles: 354.2,22.3,330.8
0.09Å---
A 34 SER47.35-Favored (46.11%)
General / -72.7,147.1
Favored (21.2%) t
chi angles: 170.4
0.04Å---
A 35 LYS62-Favored (7.76%)
General / -104.6,-35.7
Allowed (0.4%) tptt
chi angles: 234.5,92.2,179.9,196
0.03Å---
A 36 SER57.11-Favored (68.53%)
General / -68.7,-30.0
Favored (44.9%) p
chi angles: 75.7
0.05Å---
A 37 ASN71.19-Favored (8.71%)
Pre-Pro / -143.9,86.2
Favored (61.9%) t0
chi angles: 191.5,27.6
0.07Å---
A 38 PRO43.1-Favored (57.53%)
Trans-Pro / -54.9,133.4
Favored (57%) Cg_exo
chi angles: 336.1,35.9,326.9
0.03Å---
A 39 GLY36.58-Favored (12.28%)
Glycine / 115.6,-21.9
-----
A 40 ASP47.78-Favored (12.54%)
General / -96.0,164.8
Favored (46.6%) m-30
chi angles: 275.8,354.6
0.16Å- OUTLIER(S)
worst is CA-CB-CG: 4.8 σ
-
A 41 PHE30.08-Favored (26.98%)
General / -131.6,163.9
Favored (80.6%) m-80
chi angles: 303.1,272.8
0.03Å---
A 42 THR31.96-Favored (41.49%)
General / -135.2,136.0
Favored (25.6%) m
chi angles: 307.5
0.06Å---
A 43 LEU28.6-Favored (27.58%)
General / -101.1,114.0
Favored (61.7%) tp
chi angles: 176.1,59
0.15Å---
#AltResHigh BClash > 0.4ÅRamachandranRotamerCβ deviationBond lengthsBond anglesCis Peptides
Avg: 37.75Clashscore: 1.74Outliers: 6 of 934Poor rotamers: 25 of 855Outliers: 2 of 892Outliers: 9 of 966Outliers: 14 of 966Non-Trans: 0 of 947
A 44 SER34.06-Favored (35.33%)
General / -102.9,117.8
Favored (56%) m
chi angles: 299.9
0.04Å---
A 45 VAL29.65-Favored (64.59%)
Ile or Val / -123.6,135.1
Favored (10.8%) t
chi angles: 189.7
0.06Å---
A 46 ARG51.25-Favored (38.33%)
General / -93.0,127.0
Favored (53.9%) ttt180
chi angles: 176,164.2,163.4,173.7
0.04Å---
A 47 ARG74.21-Favored (19.81%)
General / -143.5,129.7
Favored (6.4%) ptt180
chi angles: 50.8,154.4,181.4,188.3
0.10Å---
A 48 ASN77.09-Favored (7.95%)
General / 45.2,53.4
Favored (2.7%) m-40
chi angles: 278.3,49
0.11Å---
A 49 GLY40.68-Favored (34.97%)
Glycine / 65.5,7.7
-----
A 50 ALA37.96-Favored (32.38%)
General / -125.1,159.0
-0.02Å---
A 51 VAL38.54-Favored (56.55%)
Ile or Val / -105.2,130.3
Favored (92.8%) t
chi angles: 174.5
0.15Å---
A 52 THR50.54-Favored (51.96%)
General / -108.1,133.7
Favored (89%) m
chi angles: 298.3
0.05Å---
A 53 HIS37.39-Favored (29.26%)
General / -110.5,115.2
Favored (96.4%) m-70
chi angles: 297.8,281.1
0.04Å---
A 54 ILE41.49-Favored (65.97%)
Ile or Val / -108.9,125.5
Favored (25.9%) mt
chi angles: 310.8,169.4
0.10Å---
A 55 LYS70.14-Favored (37.01%)
General / -78.9,135.5
Favored (2.1%) tttt
chi angles: 187.6,168.9,132,150.9
0.09Å---
A 56 ILE23.9-Favored (67.62%)
Ile or Val / -121.3,122.5
Favored (55%) mt
chi angles: 301.9,162.6
0.04Å---
A 57 GLN60.9-Favored (42.47%)
General / -111.4,143.2
Favored (22.2%) tt0
chi angles: 192.7,172.2,274.8
0.09Å---
A 58 ASN21.6-Favored (4.18%)
General / -144.9,106.0
Favored (48.7%) t0
chi angles: 192.5,338.1
0.05Å---
A 59 THR26.1-Favored (57.18%)
General / -92.7,1.6
Favored (64.4%) p
chi angles: 63.2
0.05Å---
A 60 GLY18.84-Favored (6.01%)
Glycine / 130.2,-7.3
-----
A 61 ASP25.67-Favored (9.24%)
General / -108.5,-28.6
Favored (32.2%) m-30
chi angles: 307.5,313.3
0.01Å---
A 62 TYR39.68-Allowed (1.07%)
General / -179.8,162.7
Favored (2.1%) p90
chi angles: 42.9,67.3
0.06Å---
A 63 TYR22.18-Favored (26.87%)
General / -87.0,119.1
Favored (90.9%) m-80
chi angles: 291.2,88.3
0.07Å---
#AltResHigh BClash > 0.4ÅRamachandranRotamerCβ deviationBond lengthsBond anglesCis Peptides
Avg: 37.75Clashscore: 1.74Outliers: 6 of 934Poor rotamers: 25 of 855Outliers: 2 of 892Outliers: 9 of 966Outliers: 14 of 966Non-Trans: 0 of 947
A 64 ASP36.64-Favored (16.41%)
General / -109.2,106.5
Favored (64.1%) t0
chi angles: 186.5,352.6
0.10Å- OUTLIER(S)
worst is CA-CB-CG: 4.6 σ
-
A 65 LEU27.61-Favored (34.49%)
General / -86.9,126.2
Favored (19.2%) tp
chi angles: 175,72.3
0.07Å---
A 66 TYR48.79-Favored (41.65%)
General / -61.3,129.5
Favored (65.9%) t80
chi angles: 168.9,78.2
0.03Å---
A 67 GLY37.19-Favored (73.45%)
Glycine / 70.2,16.8
-----
A 68 GLY33.89-Favored (5.55%)
Glycine / -138.7,-150.1
-----
A 69 GLU66.55-Favored (2.2%)
General / -112.4,-173.2
OUTLIER (0.2%)
chi angles: 245.8,311.4,312.6
0.09Å---
A 70 LYS37.66-Favored (51.58%)
General / -104.0,128.4
Favored (42%) mttp
chi angles: 290.4,169.8,182.5,69
0.04Å---
A 71 PHE25.38-Favored (37.23%)
General / -125.0,157.0
Favored (91.1%) m-80
chi angles: 295.8,85.4
0.03Å---
A 72 ALA18.04-Favored (49.4%)
General / -78.1,-35.2
-0.03Å---
A 73 THR22.78-Favored (41.55%)
General / -141.3,159.8
Favored (19.8%) p
chi angles: 72.6
0.05Å---
A 74 LEU22.33-Favored (81.14%)
General / -64.8,-35.5
Favored (13.7%) mt
chi angles: 286.3,185.6
0.02Å---
A 75 ALA22.72-Favored (98.66%)
General / -62.0,-42.0
-0.03Å---
A 76 GLU29-Favored (83.43%)
General / -66.3,-36.6
Favored (81.7%) mt-10
chi angles: 284.6,180.5,9.2
0.11Å---
A 77 LEU25.49-Favored (42.13%)
General / -60.9,-54.7
Favored (7.9%) tt
chi angles: 184.1,148.4
0.10Å---
A 78 VAL27.48-Favored (99.33%)
Ile or Val / -61.6,-44.9
Favored (55.3%) t
chi angles: 170.1
0.17Å---
A 79 GLN45.89-Favored (91.25%)
General / -60.2,-40.8
Favored (48.3%) tt0
chi angles: 186.1,190.1,47.8
0.05Å---
A 80 TYR43.74-Favored (29.76%)
General / -57.1,-55.8
Favored (90.9%) t80
chi angles: 179.3,78
0.03Å---
A 81 TYR36.79-Favored (63.74%)
General / -70.6,-27.0
Favored (61%) m-80
chi angles: 293.2,294.2
0.10Å---
A 82 MET40.31-Favored (55.27%)
General / -76.3,-25.7
Favored (40.8%) mtp
chi angles: 281.4,190.2,81
0.07Å---
A 83 GLU75.49-Favored (41.1%)
General / -99.2,-0.6
Favored (37.9%) mt-10
chi angles: 298.7,195.7,315.4
0.06Å---
#AltResHigh BClash > 0.4ÅRamachandranRotamerCβ deviationBond lengthsBond anglesCis Peptides
Avg: 37.75Clashscore: 1.74Outliers: 6 of 934Poor rotamers: 25 of 855Outliers: 2 of 892Outliers: 9 of 966Outliers: 14 of 966Non-Trans: 0 of 947
A 84 HIS82.85--Favored (32.2%) m90
chi angles: 284.3,63.9
0.03Å---
A 96 ILE53.8--Favored (3.3%) mt
chi angles: 308.2,147.2
0.09Å---
A 97 GLU76.78-Favored (48.01%)
General / -101.9,131.9
Favored (22.8%) mt-10
chi angles: 291.4,163.8,275.4
0.03Å---
A 98 LEU37.08-Favored (6.79%)
General / -101.6,96.0
Favored (2.4%) mt
chi angles: 302.5,204.7
0.08Å---
A 99 LYS52.29-Favored (4.22%)
General / -108.6,-43.7
Favored (9.3%) mtpt
chi angles: 296.1,162.8,94.8,158.1
0.06Å---
A 100 TYR32.19-Favored (32.72%)
Pre-Pro / -123.4,106.8
Favored (44.6%) m-80
chi angles: 308.9,286.8
0.03Å---
A 101 PRO30.17-Favored (50.45%)
Trans-Pro / -60.0,133.4
Favored (14.8%) Cg_endo
chi angles: 17.4,335.1,22.1
0.05Å---
A 102 LEU33.43-Favored (22.12%)
General / -98.1,109.3
Allowed (1.3%) tt
chi angles: 196.7,138.9
0.02Å---
A 103 ASN37.75-Favored (41.68%)
General / -74.8,135.6
Favored (80.9%) m-40
chi angles: 297.2,337
0.08Å---
A 104 CYS32.28-Favored (34.34%)
General / -86.9,130.7
Favored (49.7%) t
chi angles: 184.6
0.04Å---
A 105 ALA36.01-Favored (38.66%)
General / -95.5,-7.2
-0.03Å---
A 106 ASP42.27-Favored (92.21%)
Pre-Pro / -67.4,126.2
Favored (66.4%) t0
chi angles: 185.7,346.6
0.06Å- OUTLIER(S)
worst is CA-CB-CG: 6.3 σ
-
A 107 PRO33.04-Allowed (1.85%)
Trans-Pro / -95.3,8.8
Favored (15.1%) Cg_endo
chi angles: 37.8,326.8,15.2
0.03Å---
A 108 THR42.57-Favored (48.17%)
General / -51.6,-37.1
Allowed (1.1%) p
chi angles: 39.8
0.08Å---
A 109 SER30.6-Favored (18.72%)
General / -99.8,18.3
Favored (48.8%) m
chi angles: 301.5
0.09Å---
A 110 GLU39.01-Favored (30.61%)
General / -85.0,141.0
Favored (38.8%) mm-30
chi angles: 293.4,277.9,8.2
0.04Å---
A 111 AARG46.97-Favored (69.47%)
General / -57.7,-34.5
OUTLIER (0%)
chi angles: 278.2,173.9,122.1,301.3
0.08Å---
A 111 BARG42.9-Favored (70.22%)
General / -58.7,-33.5
Favored (30.7%) mtm180
chi angles: 297.7,187.2,284.3,141.8
0.01Å---
A 112 TRP26.41-Favored (51.74%)
General / -91.8,-6.4
Favored (19.2%) p-90
chi angles: 41.9,257.8
0.04Å---
A 113 PHE31.2-Favored (30.29%)
General / -88.9,120.4
Favored (57.7%) t80
chi angles: 187,70.8
0.06Å---
#AltResHigh BClash > 0.4ÅRamachandranRotamerCβ deviationBond lengthsBond anglesCis Peptides
Avg: 37.75Clashscore: 1.74Outliers: 6 of 934Poor rotamers: 25 of 855Outliers: 2 of 892Outliers: 9 of 966Outliers: 14 of 966Non-Trans: 0 of 947
A 114 HIS40.43-Allowed (1.27%)
General / -125.4,72.7
Favored (59.1%) m-70
chi angles: 295,259
0.04Å---
A 115 GLY48.8-OUTLIER (0)%)
Glycine / -17.6,-103.8
-----
A 116 HIS60.37-Favored (8.91%)
General / -90.9,92.7
Favored (2.1%) t70
chi angles: 211,97.4
0.14Å---
A 117 LEU56.22-Favored (35.95%)
General / -137.8,135.1
Favored (3.5%) tp
chi angles: 170.6,82.3
0.08Å---
A 118 SER60.18-Favored (27.02%)
General / -78.6,161.3
Favored (70.9%) p
chi angles: 59.1
0.01Å---
A 119 GLY51.34-Favored (75.4%)
Glycine / -68.0,-31.5
-----
A 120 LYS83.26-Favored (59.82%)
General / -68.5,-49.4
Allowed (0.4%) ttpp
chi angles: 181.7,235.3,82.3,67.8
0.04Å---
A 121 GLU81.34-Favored (91.9%)
General / -62.3,-45.7
Favored (41.5%) mt-10
chi angles: 280.6,174.9,318.9
0.01Å---
A 122 ALA43.91-Favored (79.33%)
General / -60.7,-36.7
-0.03Å---
A 123 GLU62.95-Favored (66.19%)
General / -73.1,-34.5
Allowed (0.7%) tt0
chi angles: 227.3,183.2,72.1
0.05Å---
A 124 LYS76.8-Favored (91.08%)
General / -64.0,-44.9
Favored (33.8%) tttm
chi angles: 186.3,187.6,180,281.5
0.01Å---
A 125 LEU46.340.45Å
HB3 with A 216 LEU HD21
Favored (87.15%)
General / -67.0,-40.2
Favored (19.6%) mt
chi angles: 300.2,162.6
0.09Å---
A 126 LEU40.25-Favored (67.6%)
General / -71.6,-32.1
Favored (50.7%) mt
chi angles: 286.4,163.8
0.07Å---
A 127 THR48.28-Favored (41.91%)
General / -76.1,-43.7
Favored (15.8%) m
chi angles: 310
0.15Å---
A 128 GLU78.51-Favored (33.5%)
General / -81.8,-28.0
Favored (32.3%) mt-10
chi angles: 283.4,158.5,26.1
0.07Å---
A 129 LYS82.76-Favored (6.4%)
General / -126.3,-10.3
Favored (35.7%) mtmt
chi angles: 295.6,196,273.6,185.1
0.04Å---
A 130 GLY42.45-Favored (50.51%)
Glycine / -84.8,175.4
-----
A 131 LYS59.25-Favored (7.99%)
General / -152.2,-180.0
Favored (15.4%) pttt
chi angles: 52.7,182.1,205,184.8
0.02Å---
A 132 HIS39.9-Favored (11.95%)
General / -54.3,123.1
Favored (90.8%) t70
chi angles: 179.2,71.1
0.07Å---
A 133 GLY32.03-Favored (85.76%)
Glycine / 84.7,6.1
-----
#AltResHigh BClash > 0.4ÅRamachandranRotamerCβ deviationBond lengthsBond anglesCis Peptides
Avg: 37.75Clashscore: 1.74Outliers: 6 of 934Poor rotamers: 25 of 855Outliers: 2 of 892Outliers: 9 of 966Outliers: 14 of 966Non-Trans: 0 of 947
A 134 SER30.35-Favored (40.21%)
General / -72.8,130.3
Favored (71.1%) m
chi angles: 296.1
0.03Å---
A 135 PHE29.37-Favored (36.21%)
General / -139.5,162.0
Favored (29.9%) p90
chi angles: 73.1,280.3
0.07Å---
A 136 LEU33.79-Favored (44.2%)
General / -148.6,158.6
Favored (2.4%) pp
chi angles: 55,88.3
0.02Å---
A 137 VAL30.89-Favored (74.58%)
Ile or Val / -122.9,130.3
Favored (85.1%) t
chi angles: 177.6
0.12Å---
A 138 ARG50.15-Favored (35.47%)
General / -134.5,161.3
Favored (4.5%) ptt90
chi angles: 50,166.5,205,95.2
0.01Å---
A 139 GLU75.47-Favored (41.97%)
General / -76.0,142.1
Favored (38.1%) mt-10
chi angles: 293.5,177.3,77
0.04Å---
A 140 SER80.69--Favored (10.2%) t
chi angles: 190.6
0.02Å---
A 145 GLY40.76-------
A 146 ASP45.19-Favored (9.82%)
General / -94.6,169.9
Favored (16.7%) m-30
chi angles: 286.7,14.3
0.10Å---
A 147 PHE31.98-Favored (27.3%)
General / -134.0,164.4
Favored (84.1%) m-80
chi angles: 298.1,84.3
0.02Å---
A 148 VAL31.84-Favored (67.42%)
Ile or Val / -128.9,128.5
Favored (47.8%) t
chi angles: 181.9
0.04Å---
A 149 LEU35.31-Favored (29.18%)
General / -98.7,115.6
Favored (24.5%) tp
chi angles: 168.7,66.5
0.05Å---
A 150 SER39.36-Favored (44.84%)
General / -115.2,122.0
Favored (16.5%) m
chi angles: 305.9
0.03Å---
A 151 VAL34.29-Favored (65.22%)
Ile or Val / -123.4,134.8
OUTLIER (0.2%)
chi angles: 206.4
0.05Å---
A 152 ARG53.63-Favored (38.2%)
General / -99.1,137.0
OUTLIER (0.1%)
chi angles: 185.3,214.9,254.6,228.4
0.01Å---
A 153 THR45.83-Favored (49.02%)
General / -134.0,156.0
Favored (55.5%) p
chi angles: 56.9
0.02Å---
A 154 GLY47.03-Favored (11.74%)
Glycine / 134.9,-140.5
-----
A 155 ASP98.65--Favored (4.1%) m-30
chi angles: 281.3,27.1
0.01Å---
A 165 SER40.91--Favored (71.3%) m
chi angles: 295.2
0.01Å---
A 166 LYS64.91-Favored (34.71%)
General / -159.8,163.1
Favored (3%) pttt
chi angles: 55.3,141.3,185.2,172.5
0.02Å---
#AltResHigh BClash > 0.4ÅRamachandranRotamerCβ deviationBond lengthsBond anglesCis Peptides
Avg: 37.75Clashscore: 1.74Outliers: 6 of 934Poor rotamers: 25 of 855Outliers: 2 of 892Outliers: 9 of 966Outliers: 14 of 966Non-Trans: 0 of 947
A 167 VAL37.5-Favored (55.75%)
Ile or Val / -105.5,131.1
Favored (80.3%) t
chi angles: 173.2
0.08Å---
A 168 THR44.8-Favored (55.4%)
General / -116.1,134.0
Favored (92.9%) m
chi angles: 301
0.05Å---
A 169 HIS45.19-Favored (52.59%)
General / -109.2,125.8
Favored (74.4%) m-70
chi angles: 306.8,277.2
0.02Å---
A 170 VAL37.61-Favored (64.2%)
Ile or Val / -114.5,120.5
Favored (72%) t
chi angles: 178.5
0.12Å---
A 171 MET49.9-Favored (37.91%)
General / -78.0,132.7
Favored (15.5%) mmt
chi angles: 296.7,291,151.2
0.06Å---
A 172 ILE31.27-Favored (28.18%)
Ile or Val / -112.7,109.3
Favored (89.8%) mt
chi angles: 297.3,167.1
0.09Å---
A 173 ARG76.25-Favored (28.1%)
General / -85.9,143.7
Favored (48.9%) mtp180
chi angles: 288.7,191.7,78.1,176.7
0.03Å---
A 174 CYS41.35-Favored (12.86%)
General / -113.1,104.9
Favored (16%) t
chi angles: 171.6
0.01Å---
A 175 GLN53.62-Favored (33.38%)
General / -123.1,120.5
Favored (40.7%) mt0
chi angles: 310.6,180.1,59.3
0.07Å---
A 176 GLU80.61-Favored (19.09%)
General / 49.1,49.7
Favored (8.1%) mm-30
chi angles: 271,288,335.1
0.12Å---
A 177 LEU54.17-Favored (4.86%)
General / 73.9,8.1
Favored (3.6%) mt
chi angles: 303,151.2
0.12Å---
A 178 LYS69.66-Favored (28.63%)
General / -121.3,158.2
Favored (17.9%) mttm
chi angles: 289.7,203.1,200.2,292.7
0.05Å---
A 179 TYR50.18-Favored (49.26%)
General / -113.6,139.1
Favored (64.4%) m-80
chi angles: 304.1,87.8
0.06Å---
A 180 ASP32.4-Favored (41.49%)
General / -153.8,162.1
Favored (2.9%) p0
chi angles: 69.8,79.7
0.02Å---
A 181 VAL34.93-Favored (3.23%)
Ile or Val / -99.8,17.5
Favored (27.6%) m
chi angles: 296
0.17Å---
A 182 GLY38.83-Favored (33.86%)
Glycine / 108.0,0.5
-----
A 183 GLY33.59-Favored (29.06%)
Glycine / 179.9,162.6
-----
A 184 GLY31.76-Favored (16.38%)
Glycine / 82.0,-136.9
-----
A 185 GLU55.05-Favored (45.86%)
General / -69.5,151.5
Favored (51.6%) mm-30
chi angles: 300.9,311.6,307.2
0.06Å---
A 186 ARG42.01-Favored (44.05%)
General / -119.8,123.6
Favored (34.5%) mtp-110
chi angles: 289.9,174.2,66.4,231.9
0.03Å---
#AltResHigh BClash > 0.4ÅRamachandranRotamerCβ deviationBond lengthsBond anglesCis Peptides
Avg: 37.75Clashscore: 1.74Outliers: 6 of 934Poor rotamers: 25 of 855Outliers: 2 of 892Outliers: 9 of 966Outliers: 14 of 966Non-Trans: 0 of 947
A 187 PHE36.55-Favored (27.44%)
General / -100.3,146.0
Favored (85.2%) m-80
chi angles: 302.3,278.8
0.05Å---
A 188 ASP55.26-Favored (62.16%)
General / -71.7,-18.0
Favored (26.6%) m-30
chi angles: 286.5,303.3
0.04Å---
A 189 SER34.99-Favored (41.42%)
General / -154.2,162.1
Favored (97.8%) p
chi angles: 65.8
0.00Å---
A 190 LEU33.27-Favored (78.18%)
General / -64.8,-34.4
Favored (82.6%) mt
chi angles: 289.4,170.2
0.05Å---
A 191 THR32.13-Favored (79.89%)
General / -58.2,-48.6
Favored (57.4%) m
chi angles: 295.4
0.10Å---
A 192 ASP47.1-Favored (89.45%)
General / -63.6,-38.0
Favored (88.1%) m-30
chi angles: 286.6,354.1
0.05Å- OUTLIER(S)
worst is CA-CB-CG: 4.5 σ
-
A 193 LEU29.64-Favored (69.01%)
General / -64.9,-49.8
Favored (8.1%) tt
chi angles: 183.1,147.4
0.02Å---
A 194 VAL28.55-Favored (89.09%)
Ile or Val / -62.1,-40.9
Favored (38.9%) t
chi angles: 167.3
0.12Å---
A 195 GLU68.2-Favored (93.29%)
General / -64.7,-39.2
Favored (62.4%) mm-30
chi angles: 284.8,305.7,304.2
0.09Å---
A 196 HIS37.76-Favored (83.2%)
General / -63.1,-47.4
Favored (58.5%) t-90
chi angles: 178.6,267.6
0.02Å---
A 197 TYR38.2-Favored (55.89%)
General / -80.0,-5.5
Favored (48.5%) m-80
chi angles: 291.8,297.5
0.16Å---
A 198 LYS58.97-Favored (24.03%)
General / -81.8,-39.4
Favored (6.3%) mtpt
chi angles: 261.7,162.3,85,181.7
0.07Å---
A 199 LYS79.75-Favored (33.54%)
General / -78.0,-42.1
OUTLIER (0%)
chi angles: 260.7,106.8,106.5,176.2
0.02Å---
A 200 ASN64.29-Favored (31.71%)
Pre-Pro / -120.6,80.9
Allowed (0.9%) m-40
chi angles: 309.6,255
0.05Å---
A 201 PRO44.51-Favored (95.06%)
Trans-Pro / -59.7,146.6
Favored (20.3%) Cg_exo
chi angles: 342.3,30.2,329.9
0.07Å---
A 202 MET45.46-Favored (43.45%)
General / -75.2,140.6
Favored (18.4%) mtm
chi angles: 287.6,166.2,301.4
0.04Å---
A 203 VAL42.11-Favored (74.31%)
Ile or Val / -122.9,130.7
Favored (2.5%) t
chi angles: 193.4
0.06Å---
A 204 GLU70.64-Favored (36.47%)
General / -77.1,147.6
Favored (27.3%) mt-10
chi angles: 298,197.2,305.1
0.03Å---
A 205 THR66.56-Allowed (1.07%)
General / -53.8,-14.9
Favored (9.3%) t
chi angles: 192
0.17Å---
A 206 LEU47.14-Favored (32.56%)
General / -106.0,9.7
Favored (3.9%) mt
chi angles: 272.1,157.4
0.12Å---
#AltResHigh BClash > 0.4ÅRamachandranRotamerCβ deviationBond lengthsBond anglesCis Peptides
Avg: 37.75Clashscore: 1.74Outliers: 6 of 934Poor rotamers: 25 of 855Outliers: 2 of 892Outliers: 9 of 966Outliers: 14 of 966Non-Trans: 0 of 947
A 207 GLY41.84-Favored (14.14%)
Glycine / 111.9,-24.8
-----
A 208 THR42.09-Favored (12.51%)
General / -59.8,121.8
Favored (85.8%) m
chi angles: 301.6
0.14Å---
A 209 VAL38.58-Favored (29.59%)
Ile or Val / -86.8,116.6
Favored (94%) t
chi angles: 175.8
0.07Å---
A 210 LEU41.29-Favored (8.98%)
General / -82.0,74.2
Favored (89%) mt
chi angles: 298.3,173.6
0.09Å---
A 211 GLN62.18-Favored (23.5%)
General / -71.8,123.8
Favored (33.7%) tt0
chi angles: 186.4,194.3,12.2
0.05Å---
A 212 LEU34.62-Favored (2.59%)
General / -97.9,78.9
Favored (22.6%) mt
chi angles: 311.6,179.6
0.07Å---
A 213 LYS82.9-Favored (10.71%)
General / -77.0,-51.6
Favored (2.5%) ttmm
chi angles: 207.4,191.9,269.2,286.7
0.09Å---
A 214 GLN47.32-Favored (20.14%)
Pre-Pro / -150.1,146.4
Favored (2.6%) pm20
chi angles: 63.9,281.5,312.9
0.06Å---
A 215 PRO33.52-Favored (95.7%)
Trans-Pro / -60.0,146.6
Favored (99.3%) Cg_exo
chi angles: 332.3,43.4,318.4
0.10Å---
A 216 LEU34.920.45Å
HD21 with A 125 LEU HB3
Favored (57.76%)
General / -59.7,135.7
Favored (43.3%) tp
chi angles: 175.6,67.4
0.04Å---
A 217 ASN36.05-Favored (22.98%)
General / -82.4,118.2
Favored (34.3%) t0
chi angles: 182.4,314.1
0.02Å---
A 218 THR29.39-Favored (10.31%)
General / -119.4,-5.7
Favored (58.1%) p
chi angles: 57.2
0.06Å---
A 219 THR23.28-Favored (19.12%)
General / -92.1,-24.4
Favored (51.7%) p
chi angles: 56.5
0.04Å---
A 220 ARG63.7-Favored (31.08%)
General / -65.1,127.3
Favored (32.4%) ttp-110
chi angles: 172.3,172.2,65,242.9
0.01Å---
A 221 ILE38.54-Favored (42.23%)
Ile or Val / -130.0,156.4
Favored (6.6%) pt
chi angles: 55.6,154.9
0.08Å---
A 222 ASN46.820.48Å
O with A 225 GLU HG2
Favored (41.56%)
General / -75.1,133.2
Favored (17.9%) t0
chi angles: 191.3,275.4
0.11Å---
A 223 ALA32.76-Favored (62.31%)
General / -53.2,-37.8
-0.06Å---
A 224 ALA39.520.45Å
HB2 with A 484 VAL HG13
Favored (64.05%)
General / -57.2,-29.8
-0.04Å---
A 225 GLU65.740.48Å
HG2 with A 222 ASN O
Favored (12.81%)
General / -96.1,18.8
Favored (13.7%) pt0
chi angles: 72.5,194.9,352.6
0.12Å---
A 226 ILE31.71-Favored (67.24%)
Ile or Val / -54.5,-44.2
Favored (6%) tp
chi angles: 182.2,59.9
0.14Å---
#AltResHigh BClash > 0.4ÅRamachandranRotamerCβ deviationBond lengthsBond anglesCis Peptides
Avg: 37.75Clashscore: 1.74Outliers: 6 of 934Poor rotamers: 25 of 855Outliers: 2 of 892Outliers: 9 of 966Outliers: 14 of 966Non-Trans: 0 of 947
A 227 GLU76.95-Favored (79.57%)
General / -57.4,-48.3
Favored (22.9%) tt0
chi angles: 198,177.5,313.2
0.06Å---
A 228 SER40.47-Favored (79.35%)
General / -56.9,-47.9
Favored (14.7%) t
chi angles: 168.6
0.01Å---
A 229 ARG51.91-Favored (99.65%)
General / -63.1,-42.9
Favored (9.8%) tpp80
chi angles: 182.7,49,50.1,103.7
0.05Å---
A 230 VAL29.55-Favored (94.36%)
Ile or Val / -62.2,-42.2
Favored (34.3%) t
chi angles: 166
0.17Å---
A 231 ARG69.86-Favored (75.84%)
General / -58.3,-49.8
Favored (39%) ttp-110
chi angles: 186.4,173.2,71.7,246.5
0.03Å---
A 232 GLU78.35-Favored (98.25%)
General / -63.4,-40.8
Favored (28.5%) tp30
chi angles: 195.3,71.7,24.8
0.07Å---
A 233 LEU26.22-Favored (61.72%)
General / -71.8,-21.3
Favored (72.1%) mt
chi angles: 288.8,173.9
0.05Å---
A 234 SER38.38-Favored (56.04%)
General / -82.4,-13.9
Favored (57.6%) m
chi angles: 299.6
0.05Å---
A 235 LYS89.02-Favored (38.22%)
General / -72.3,157.2
Favored (3.8%) mttt
chi angles: 293,200,236.1,167.2
0.04Å---
A 236 LEU46.66-Favored (52.88%)
General / -65.4,134.1
Favored (87.4%) mt
chi angles: 294.6,170.2
0.10Å---
A 237 ALA81.73---0.02Å---
A 244 LYS77.23--Favored (8%) ptpt
chi angles: 58.2,176.3,71.9,165.7
0.15Å---
A 245 GLN63.06-Favored (4.49%)
General / -101.7,178.9
Favored (43%) mt0
chi angles: 306.1,166.9,310.4
0.04Å---
A 246 GLY28.91-Favored (50.71%)
Glycine / -53.3,-35.6
-----
A 247 PHE28.76-Favored (88.87%)
General / -58.9,-42.2
Favored (43.2%) m-80
chi angles: 283,288.3
0.08Å---
A 248 TRP36.08-Favored (86.6%)
General / -62.0,-47.0
Favored (49.2%) t60
chi angles: 193.4,97.4
0.06Å---
A 249 GLU62.060.44Å
HG2 with A 601 5OD H3
Favored (96.35%)
General / -60.6,-44.5
Favored (15.4%) tt0
chi angles: 190.1,163,284.1
0.01Å---
A 250 GLU25.46-Favored (82.45%)
General / -67.5,-42.7
Favored (23.7%) tt0
chi angles: 191.5,176.9,282.3
0.06Å---
A 251 PHE25.52-Favored (91.73%)
General / -65.8,-41.7
Favored (78.7%) t80
chi angles: 179.7,71.3
0.05Å---
A 252 GLU40.32-Favored (64.23%)
General / -70.0,-26.8
Favored (61.9%) mm-30
chi angles: 287.4,301.5,332.5
0.16Å---
#AltResHigh BClash > 0.4ÅRamachandranRotamerCβ deviationBond lengthsBond anglesCis Peptides
Avg: 37.75Clashscore: 1.74Outliers: 6 of 934Poor rotamers: 25 of 855Outliers: 2 of 892Outliers: 9 of 966Outliers: 14 of 966Non-Trans: 0 of 947
A 253 THR25.71-Favored (73.67%)
General / -70.7,-37.3
Favored (91.9%) m
chi angles: 299
0.08Å---
A 254 LEU22.81-Favored (86.88%)
General / -64.8,-45.2
Favored (24.6%) tp
chi angles: 168.3,61.6
0.08Å---
A 255 GLN26.59-Favored (71.15%)
General / -59.8,-33.0
Favored (9.8%) mm110
chi angles: 301.6,296.7,75.9
0.06Å---
A 256 GLN51.57-Favored (69.31%)
General / -61.0,-28.8
Favored (24.6%) tt0
chi angles: 188.1,184.4,278
0.04Å---
A 257 GLN29.93-Favored (50.76%)
General / -84.3,0.0
Favored (99.2%) mm-40
chi angles: 295.7,300.5,306
0.01Å---
A 258 GLU33.47-Favored (62.86%)
General / -70.7,-17.9
Favored (8.7%) pt0
chi angles: 82.1,187.4,7
0.09Å---
A 259 ACYS32.01-Favored (57.55%)
General / -71.3,-9.1
Allowed (0.3%) m
chi angles: 260.2
0.12Å---
A 259 BCYS27.88-Favored (60.9%)
General / -69.6,-11.5
Favored (20.9%) p
chi angles: 58.6
0.04Å---
A 260 LYS50.85-Favored (58.49%)
General / -81.8,-12.5
Allowed (1.3%) mmtm
chi angles: 297,243,182.5,310.5
0.15Å---
A 261 LEU24.5-Favored (11.78%)
General / -109.6,25.4
Favored (33.7%) mt
chi angles: 309.4,177.1
0.07Å---
A 262 LEU24.5-Favored (6.94%)
General / -85.0,61.5
Favored (12.8%) mt
chi angles: 301.1,159.8
0.16Å---
A 263 TYR35.06-Favored (29.92%)
General / -77.6,158.3
Favored (52.6%) m-80
chi angles: 303.8,295.5
0.06Å---
A 264 SER32.62-Favored (57.45%)
General / -64.6,144.1
Favored (57.2%) p
chi angles: 73.5
0.10Å---
A 265 ARG52.08-Favored (3.01%)
General / -133.7,41.9
Allowed (1.4%) mtp180
chi angles: 299.5,130.2,62.8,228.1
0.04Å---
A 266 LYS74-Favored (93.38%)
General / -59.6,-44.9
Favored (52.8%) mttt
chi angles: 292.5,163.2,192.1,163
0.06Å---
A 267 GLU35.86-Favored (90.74%)
General / -59.4,-42.0
Favored (83.7%) mm-30
chi angles: 292.6,296.7,321.1
0.15Å---
A 268 GLY24.39-Favored (69.17%)
Glycine / -67.3,-18.2
-----
A 269 GLN45.35-Favored (41.02%)
General / -88.7,-12.8
Favored (84.5%) mt0
chi angles: 287.3,165.1,335.1
0.04Å---
A 270 ARG75.04-Favored (57.81%)
General / -60.8,139.7
Favored (2.4%) mtp85
chi angles: 296.1,188.9,101,114.9
0.06Å---
A 271 GLN50.8-Favored (21.18%)
General / -46.9,-46.5
Favored (67.5%) tp40
chi angles: 175.1,61.6,44.3
0.03Å---
#AltResHigh BClash > 0.4ÅRamachandranRotamerCβ deviationBond lengthsBond anglesCis Peptides
Avg: 37.75Clashscore: 1.74Outliers: 6 of 934Poor rotamers: 25 of 855Outliers: 2 of 892Outliers: 9 of 966Outliers: 14 of 966Non-Trans: 0 of 947
A 272 GLU103.571.12Å
HB2 with A 301 VAL HG11
Favored (64.37%)
General / -60.2,-23.9
OUTLIER (0.2%)
chi angles: 36.2,210.8,358.5
0.02Å---
A 273 ASN24.38-Favored (18.06%)
General / -104.7,-9.6
Favored (95.5%) m-40
chi angles: 292.4,331.5
0.02Å---
A 274 LYS77.12-Favored (52.51%)
General / -50.4,-50.1
Favored (72.2%) mttt
chi angles: 288.5,179.2,180.1,160.7
0.11Å---
A 275 ASN53.95-Favored (19.65%)
General / -80.2,3.8
Favored (42.4%) p0
chi angles: 69.3,350.2
0.12Å- OUTLIER(S)
worst is CA-CB-CG: 5.5 σ
-
A 276 LYS24.97-Favored (56.04%)
General / -92.4,-2.9
Favored (76.5%) mttt
chi angles: 300.6,172.4,188.5,168.9
0.04Å---
A 277 ASN27.2-Favored (49.84%)
General / -103.0,131.6
Favored (81.1%) m-40
chi angles: 300.7,313
0.08Å---
A 278 ARG28.46-Favored (82.94%)
General / -68.0,-40.9
Favored (45.3%) ttm-80
chi angles: 183.1,167.8,277.2,280.1
0.05Å---
A 279 TYR29.78-Favored (23.12%)
General / -122.2,115.8
Favored (50%) m-80
chi angles: 307.8,281
0.07Å---
A 280 LYS78.99-Allowed (1.45%)
General / -40.2,-42.1
Favored (4.6%) tttt
chi angles: 165.2,196,204.4,204.7
0.05Å---
A 281 ASN47.85-Favored (40.26%)
General / -101.9,4.6
Favored (20.2%) m110
chi angles: 306.9,132
0.01Å---
A 282 ILE20.21-Favored (9.98%)
Ile or Val / -106.1,100.1
Favored (86.2%) mt
chi angles: 294.1,173.6
0.11Å---
A 283 LEU22.95-Favored (66.66%)
Pre-Pro / -125.7,158.0
Favored (12%) mt
chi angles: 309,166
0.04Å---
A 284 PRO17.6-Favored (11.15%)
Trans-Pro / -82.1,140.4
Favored (75%) Cg_endo
chi angles: 27.9,327.4,24.5
0.09Å---
A 285 PHE19.23-Favored (58.44%)
General / -62.2,138.6
Favored (26.4%) m-80
chi angles: 295.7,313.7
0.13Å---
A 286 ASP28.01-Favored (72.79%)
General / -60.4,-33.6
Favored (71.3%) m-30
chi angles: 298.6,320.8
0.03Å---
A 287 HIS28.21-Favored (60.93%)
General / -74.3,-16.0
Favored (24.9%) p-80
chi angles: 79.8,285.4
0.13Å---
A 288 THR20.41-Favored (6.48%)
General / -127.0,4.3
Favored (46.1%) p
chi angles: 55.5
0.05Å---
A 289 ARG30.08-Favored (38.64%)
General / -64.0,153.1
Favored (25.6%) ptt90
chi angles: 71.7,176.2,184.7,104.5
0.03Å---
A 290 VAL21.65-Favored (26.42%)
Ile or Val / -79.8,117.9
Favored (65.7%) t
chi angles: 179.3
0.03Å---
A 291 VAL22.03-Favored (44.35%)
Ile or Val / -91.7,125.5
Favored (42.8%) t
chi angles: 182.9
0.06Å---
#AltResHigh BClash > 0.4ÅRamachandranRotamerCβ deviationBond lengthsBond anglesCis Peptides
Avg: 37.75Clashscore: 1.74Outliers: 6 of 934Poor rotamers: 25 of 855Outliers: 2 of 892Outliers: 9 of 966Outliers: 14 of 966Non-Trans: 0 of 947
A 292 LEU23.97-Favored (30.97%)
General / -92.4,118.5
Favored (88.6%) mt
chi angles: 298.7,178.8
0.04Å---
A 293 HIS30.99-Favored (7.96%)
General / -100.5,171.1
Favored (96.8%) m-70
chi angles: 297.4,281.3
0.06Å---
A 294 ASP61.52-Favored (26.48%)
General / 57.9,36.7
Favored (6.6%) t0
chi angles: 207.2,33.3
0.12Å---
A 295 GLY39.39-Favored (54.66%)
Glycine / -73.4,162.7
-----
A 296 ASP56.21-Favored (5.82%)
Pre-Pro / -47.8,118.0
Favored (63.9%) t0
chi angles: 187.6,341.2
0.05Å---
A 297 PRO49.87-Favored (70.53%)
Trans-Pro / -59.3,-23.6
Favored (22.6%) Cg_exo
chi angles: 341.6,31.6,328.4
0.04Å---
A 298 ASN74.01-Favored (59.31%)
General / -84.7,-5.2
Favored (21.2%) m-40
chi angles: 302.9,347.4
0.05Å---
A 299 GLU84.97-Favored (58.88%)
Pre-Pro / -101.7,109.2
Favored (12.9%) mm-30
chi angles: 274,288.6,344.1
0.08Å---
A 300 PRO47.15-Favored (50.02%)
Trans-Pro / -50.8,-42.7
Favored (6.5%) Cg_endo
chi angles: 12.2,331.2,33.5
0.09Å---
A 301 VAL37.71.12Å
HG11 with A 272 GLU HB2
Favored (7.6%)
Ile or Val / -124.0,100.4
Favored (3.7%) p
chi angles: 55.7
0.10Å---
A 302 SER33.56-Favored (8.34%)
General / -125.1,12.9
Favored (56.3%) p
chi angles: 57.3
0.09Å---
A 303 ASP32.19-Favored (43.4%)
General / -100.6,4.5
Favored (5.9%) p0
chi angles: 77.6,332.7
0.05Å---
A 304 TYR20.77-Favored (41.91%)
General / -108.4,140.3
Favored (75.6%) t80
chi angles: 184.6,81.6
0.07Å---
A 305 ILE17.23-Favored (19.12%)
Ile or Val / -148.0,144.4
Favored (20.9%) tt
chi angles: 187.7,164.1
0.14Å---
A 306 ASN22.61-Favored (6.35%)
General / -81.4,86.2
Favored (35.4%) t0
chi angles: 191.9,312.5
0.05Å---
A 307 ALA17.32-Favored (23.28%)
General / -157.1,149.6
-0.10Å---
A 308 ASN17.3-Favored (49.43%)
General / -133.9,145.2
Favored (16.6%) m110
chi angles: 295.4,88.1
0.07Å---
A 309 ILE29.390.46Å
HD13 with A 328 ILE HG12
Favored (27.64%)
Ile or Val / -76.7,135.0
Favored (6.6%) mm
chi angles: 297.1,282
0.07Å---
A 310 ILE17.81-Favored (55.33%)
Ile or Val / -116.5,117.4
Favored (31.6%) mm
chi angles: 310.1,299.9
0.03Å---
A 311 MET41.05-Favored (24.3%)
Pre-Pro / -108.7,129.2
Favored (11.6%) mtp
chi angles: 304.2,207.5,78.5
0.12Å---
#AltResHigh BClash > 0.4ÅRamachandranRotamerCβ deviationBond lengthsBond anglesCis Peptides
Avg: 37.75Clashscore: 1.74Outliers: 6 of 934Poor rotamers: 25 of 855Outliers: 2 of 892Outliers: 9 of 966Outliers: 14 of 966Non-Trans: 0 of 947
A 312 PRO37.15-Favored (76.47%)
Trans-Pro / -68.3,150.8
Favored (73.5%) Cg_endo
chi angles: 29,321.6,31.9
0.02Å---
A 313 GLU83.09-OUTLIER (0.03)%)
General / 42.4,81.1
OUTLIER (0.1%)
chi angles: 25.5,88.5,21.6
0.22Å---
A 314 PHE84.64--Favored (20.1%) t80
chi angles: 163,84.5
0.06Å- OUTLIER(S)
worst is CA-CB-CG: 5.6 σ
-
A 322 LYS55.72--Favored (79.8%) mttt
chi angles: 285.4,187.3,190.3,177.7
0.04Å---
A 323 PRO45.64-Favored (93.98%)
Trans-Pro / -55.4,-38.4
Favored (74.7%) Cg_exo
chi angles: 335,35.1,329.2
0.07Å---
A 324 LYS45.29-OUTLIER (0.04)%)
General / -48.5,-73.6
Allowed (0.5%) mtpt
chi angles: 260.2,215,100.7,160.5
0.12Å---
A 325 LYS68.46-Allowed (0.52%)
General / -82.8,37.3
Allowed (1%) mmtt
chi angles: 259.9,295.3,139.7,180.4
0.18Å---
A 326 SER29.94-Favored (6.69%)
General / -109.1,172.7
Favored (9.6%) m
chi angles: 283.8
0.08Å---
A 327 TYR19.61-Favored (26.3%)
General / -135.9,165.2
Favored (7.3%) m-80
chi angles: 312.9,80.1
0.12Å---
A 328 ILE19.760.46Å
HG12 with A 309 ILE HD13
Favored (56.85%)
Ile or Val / -124.2,119.5
Favored (78.7%) mt
chi angles: 290.2,165.2
0.08Å---
A 329 ALA15.08-Favored (42.79%)
General / -101.5,121.9
-0.11Å---
A 330 THR18.61-Favored (15.42%)
General / -141.3,170.6
Favored (9.5%) t
chi angles: 192.7
0.13Å---
A 331 GLN20.59-Favored (14.59%)
General / -85.7,168.2
Favored (21%) pt0
chi angles: 67.8,178.5,23.2
0.08Å---
A 332 GLY19.64-Favored (21.53%)
Glycine / -72.1,134.4
-----
A 333 CYS25.83-Favored (2.8%)
General / -51.1,151.2
Favored (93.4%) m
chi angles: 293
0.02Å---
A 334 LEU22.05-Favored (11.71%)
General / -106.5,164.9
Favored (51%) mt
chi angles: 293,163.5
0.12Å---
A 335 GLN62.85-Favored (69.62%)
General / -58.2,-33.8
Favored (4.7%) pt0
chi angles: 74.9,176.5,120.5
0.14Å---
A 336 ASN26.69-Favored (58.7%)
General / -84.7,-3.7
Favored (18.5%) p0
chi angles: 59.9,309
0.09Å---
A 337 THR19.06-Favored (13.66%)
General / -116.2,5.1
Favored (33.6%) p
chi angles: 68.8
0.09Å---
A 338 VAL21.58-Favored (88.38%)
Ile or Val / -59.7,-48.2
Favored (49.9%) t
chi angles: 169.4
0.06Å---
#AltResHigh BClash > 0.4ÅRamachandranRotamerCβ deviationBond lengthsBond anglesCis Peptides
Avg: 37.75Clashscore: 1.74Outliers: 6 of 934Poor rotamers: 25 of 855Outliers: 2 of 892Outliers: 9 of 966Outliers: 14 of 966Non-Trans: 0 of 947
A 339 ASN23.96-Favored (90.82%)
General / -58.8,-45.0
Favored (42.5%) m-40
chi angles: 294,0.3
0.04Å---
A 340 ASP44.28-Favored (92.91%)
General / -59.7,-42.4
Favored (70.1%) m-30
chi angles: 298.9,326.1
0.05Å---
A 341 PHE19.17-Favored (69.9%)
General / -55.0,-50.0
Favored (66.7%) t80
chi angles: 178.4,89.9
0.03Å---
A 342 TRP16.67-Favored (71.8%)
General / -68.7,-32.2
Favored (85%) m100
chi angles: 287.4,112.3
0.15Å---
A 343 ARG23.95-Favored (95.6%)
General / -60.7,-41.7
Favored (52.7%) mtp180
chi angles: 280.7,172.4,63.9,208.2
0.09Å---
A 344 MET19.39-Favored (54.46%)
General / -62.5,-53.5
Favored (57.3%) ttp
chi angles: 174.4,177.2,69.9
0.02Å---
A 345 VAL15.91-Favored (63.95%)
Ile or Val / -54.0,-48.4
Favored (99.9%) t
chi angles: 175.5
0.06Å---
A 346 PHE25.9-Favored (71.46%)
General / -63.0,-50.3
Favored (67.1%) t80
chi angles: 186,86.6
0.06Å---
A 347 GLN29.26-Favored (90.61%)
General / -62.0,-39.0
Favored (26.5%) tt0
chi angles: 172.2,188.6,289.7
0.03Å---
A 348 GLU37.84-Favored (58.99%)
General / -85.1,-4.0
Favored (78.8%) mm-30
chi angles: 297.2,295.7,320.4
0.10Å---
A 349 ASN30.38-Favored (15.83%)
General / 62.9,27.1
Favored (60.9%) t0
chi angles: 198.4,34.8
0.09Å---
A 350 SER17.18-Favored (55.42%)
General / -68.0,137.9
Favored (57%) m
chi angles: 299.7
0.03Å---
A 351 ARG29.11-Favored (10.35%)
General / -119.4,-5.4
Favored (30.5%) mmt90
chi angles: 307,301.4,184.9,87.9
0.04Å---
A 352 VAL16.59-Favored (41.2%)
Ile or Val / -138.3,131.9
Favored (49.2%) t
chi angles: 181.6
0.06Å---
A 353 ILE17.74-Favored (60.44%)
Ile or Val / -120.3,135.5
Favored (91%) mt
chi angles: 297.7,170.6
0.07Å---
A 354 VAL17.72-Favored (51.44%)
Ile or Val / -115.3,116.1
Favored (73.6%) t
chi angles: 172.5
0.07Å---
A 355 MET18.26-Favored (41.4%)
General / -110.8,120.1
Favored (25%) ttt
chi angles: 173,172.5,184.2
0.04Å---
A 356 THR22.28-Favored (7.58%)
General / -112.4,29.9
Favored (75.5%) p
chi angles: 61.3
0.10Å---
A 357 THR23.82-Favored (44.62%)
General / -143.1,155.5
Favored (6.6%) t
chi angles: 182.2
0.06Å---
A 358 LYS27.22-Favored (25.53%)
General / -77.1,164.6
Favored (34.8%) mttp
chi angles: 284.5,190.3,189.6,66.4
0.13Å---
#AltResHigh BClash > 0.4ÅRamachandranRotamerCβ deviationBond lengthsBond anglesCis Peptides
Avg: 37.75Clashscore: 1.74Outliers: 6 of 934Poor rotamers: 25 of 855Outliers: 2 of 892Outliers: 9 of 966Outliers: 14 of 966Non-Trans: 0 of 947
A 359 GLU29.41-Favored (84.01%)
General / -63.9,-36.5
Favored (31.1%) mt-10
chi angles: 292.8,165.3,46.5
0.06Å---
A 360 VAL22.4-Favored (69.22%)
Ile or Val / -128.4,131.1
Favored (69.3%) t
chi angles: 172
0.05Å---
A 361 GLU25-Favored (39.92%)
General / -135.6,135.0
Favored (86.5%) mt-10
chi angles: 286.1,177.8,8.4
0.07Å---
A 362 ARG59.65-Favored (26.71%)
General / 54.3,37.1
Favored (13.3%) mmt-90
chi angles: 288.5,268.1,199.5,270.4
0.04Å---
A 363 GLY29.19-Favored (66.54%)
Glycine / 68.9,13.5
-----
A 364 LYS66.3-Favored (51.42%)
General / -120.6,140.5
Allowed (1%) mtmp
chi angles: 294.8,180.1,265.4,79.2
0.05Å---
A 365 SER28.31-Favored (18.96%)
General / -71.1,121.8
Favored (36.9%) t
chi angles: 181.3
0.05Å---
A 366 LYS36.01-Favored (12.99%)
General / -104.0,-25.5
Favored (55.7%) mmtt
chi angles: 300.3,289.6,169.3,172.9
0.02Å---
A 367 CYS22.51-Favored (4.48%)
General / -160.5,128.3
Favored (49.7%) t
chi angles: 184.6
0.04Å---
A 368 VAL24.7-Favored (4.06%)
Ile or Val / -73.8,163.3
Favored (13.5%) m
chi angles: 305
0.13Å---
A 369 LYS40.49-Favored (7.21%)
General / -78.9,100.5
Favored (31.4%) tttm
chi angles: 182.8,165.8,169.4,285.8
0.04Å---
A 370 TYR21.03-Favored (52.23%)
General / -93.1,5.2
Favored (48.9%) p90
chi angles: 58.2,86.6
0.07Å---
A 371 TRP22.24-Favored (64.72%)
Pre-Pro / -123.2,153.4
Favored (52.5%) p90
chi angles: 63.4,91.6
0.01Å---
A 372 PRO22.86-Favored (41.3%)
Trans-Pro / -72.3,162.5
Favored (15%) Cg_exo
chi angles: 343.9,33.6,323.1
0.10Å---
A 373 ASP37.95-Favored (17.45%)
General / -62.1,158.1
Favored (78.9%) m-30
chi angles: 296.1,343.9
0.09Å---
A 374 GLU29.25-Favored (35.45%)
General / -52.7,131.9
Favored (38.7%) tt0
chi angles: 191.5,178.2,32.7
0.02Å---
A 375 TYR37.03-Favored (2.03%)
General / 75.7,-6.2
Favored (18.9%) m-80
chi angles: 311,305.6
0.12Å---
A 376 ALA23.08-Favored (18.46%)
General / -87.5,159.9
-0.01Å---
A 377 LEU22.67-Favored (53.48%)
General / -124.5,133.0
Favored (14.9%) tp
chi angles: 177.1,74.9
0.15Å---
A 378 LYS66.07-Favored (51.61%)
General / -134.1,152.0
Favored (12.1%) mtpt
chi angles: 287.8,200.4,86.5,189.6
0.06Å---
#AltResHigh BClash > 0.4ÅRamachandranRotamerCβ deviationBond lengthsBond anglesCis Peptides
Avg: 37.75Clashscore: 1.74Outliers: 6 of 934Poor rotamers: 25 of 855Outliers: 2 of 892Outliers: 9 of 966Outliers: 14 of 966Non-Trans: 0 of 947
A 379 GLU32.71-Favored (55.75%)
General / -110.1,129.0
Favored (91.7%) mt-10
chi angles: 288,179.6,5.8
0.03Å---
A 380 TYR22.46-Favored (3.43%)
General / -118.2,90.9
Favored (83.2%) m-80
chi angles: 301.7,282
0.06Å---
A 381 GLY23.79-Favored (39.56%)
Glycine / 63.7,-130.2
-----
A 382 VAL29.29-Favored (9.51%)
Ile or Val / -78.1,-6.7
Favored (13.7%) m
chi angles: 305
0.10Å---
A 383 MET23.71-Favored (38.54%)
General / -101.4,138.4
Favored (25%) mmt
chi angles: 298.3,299.4,161.5
0.06Å---
A 384 ARG36.61-Favored (56.47%)
General / -117.8,132.3
Favored (18.5%) ttm170
chi angles: 183.6,178.8,275.5,147.4
0.11Å---
A 385 VAL19.8-Favored (65.52%)
Ile or Val / -130.4,130.9
Favored (58.7%) t
chi angles: 180.1
0.07Å---
A 386 ARG49.14-Favored (51.63%)
General / -108.1,134.0
Favored (77.3%) ttm-80
chi angles: 181.8,175,299,281.4
0.11Å---
A 387 ASN19.8-Favored (14.62%)
General / -95.3,102.8
Favored (28.8%) t0
chi angles: 177,340.6
0.02Å---
A 388 VAL23.7-Favored (71.41%)
Ile or Val / -70.8,-45.9
Favored (65.6%) t
chi angles: 179.3
0.08Å---
A 389 LYS39.3-Favored (9.2%)
General / -164.3,147.5
Favored (10.8%) tptp
chi angles: 190.4,80.4,191.2,72.4
0.13Å---
A 390 GLU35.93-Favored (49.97%)
General / -116.7,140.0
Favored (59.7%) mt-10
chi angles: 303,191.7,351.6
0.04Å---
A 391 SER32.45-Favored (39.08%)
General / -126.5,124.0
Favored (53%) m
chi angles: 300.5
0.08Å---
A 392 ALA34.77-Favored (35.04%)
General / -94.3,136.1
-0.02Å---
A 393 ALA31-Favored (6.24%)
General / -122.8,176.0
-0.06Å---
A 394 HIS42.67-Favored (63.47%)
General / -55.1,-52.4
Favored (47.1%) t-90
chi angles: 189.1,263.8
0.05Å---
A 395 ASP36.56-Favored (18.65%)
General / -100.5,-13.4
Favored (21.5%) m-30
chi angles: 286.2,298.1
0.04Å---
A 396 TYR24.53-Favored (27.34%)
General / -149.5,167.1
Favored (39.3%) p90
chi angles: 72.2,271.4
0.05Å---
A 397 THR26.04-Favored (54%)
General / -120.0,137.6
Favored (92.4%) m
chi angles: 297.7
0.02Å---
A 398 LEU23.8-Favored (53.63%)
General / -105.8,131.0
Favored (31.2%) tp
chi angles: 169.3,63.8
0.03Å---
#AltResHigh BClash > 0.4ÅRamachandranRotamerCβ deviationBond lengthsBond anglesCis Peptides
Avg: 37.75Clashscore: 1.74Outliers: 6 of 934Poor rotamers: 25 of 855Outliers: 2 of 892Outliers: 9 of 966Outliers: 14 of 966Non-Trans: 0 of 947
A 399 ARG31.5-Favored (32.01%)
General / -119.4,118.8
Favored (65.5%) mtt90
chi angles: 304,194.9,181.1,88.2
0.06Å---
A 400 GLU34.39-Favored (21.32%)
General / -89.8,110.4
Favored (77.4%) tt0
chi angles: 176.7,180.4,347.3
0.08Å---
A 401 LEU22.4-Favored (33.59%)
General / -110.8,147.8
Favored (11.1%) mt
chi angles: 315.3,173.4
0.02Å---
A 402 LYS51.86-Favored (33.46%)
General / -115.5,118.5
Allowed (0.8%) mptt
chi angles: 247.2,57.1,144.3,173.2
0.07Å---
A 403 LEU19.74-Favored (53.72%)
General / -111.2,133.2
Favored (13.7%) tp
chi angles: 164.7,66.6
0.05Å---
A 404 SER25.2-Favored (35.4%)
General / -149.8,164.4
Favored (94.8%) p
chi angles: 63.3
0.04Å---
A 405 LYS76.17-Favored (34.23%)
General / -93.6,136.1
Allowed (1.4%) ttpp
chi angles: 190.8,150.2,103.9,68.6
0.10Å---
A 406 VAL27.4-Favored (18.07%)
Ile or Val / -54.8,132.5
Favored (56.4%) t
chi angles: 170.3
0.09Å---
A 407 GLY35.06-Favored (90.42%)
Glycine / 81.2,2.3
-----
A 408 GLN77.04-Allowed (2%)
General / -137.2,83.5
Allowed (1.7%) mt0
chi angles: 271.6,149.6,274.3
0.03Å---
A 409 GLY36.27-Favored (35.51%)
Glycine / -49.5,-48.2
-----
A 410 ASN61.21-Allowed (0.12%)
General / -65.4,9.0
Favored (3.6%) t0
chi angles: 219.5,34.6
0.03Å---
A 411 THR27.75-Favored (26.08%)
General / -103.5,-2.9
Favored (48.8%) p
chi angles: 65.9
0.04Å---
A 412 GLU60.16-Favored (55.88%)
General / -57.5,134.2
Favored (5.9%) tt0
chi angles: 201.5,161.4,53.3
0.06Å---
A 413 ARG27.3-Favored (41.81%)
General / -144.1,153.1
Allowed (1.2%) pmm-80
chi angles: 76.7,292.2,313.5,281.4
0.11Å---
A 414 THR21.24-Favored (34.36%)
General / -83.1,136.8
Favored (73%) m
chi angles: 302.9
0.07Å---
A 415 VAL17.98-Favored (73.87%)
Ile or Val / -122.0,126.0
Favored (84.5%) t
chi angles: 173.6
0.05Å---
A 416 TRP18.2-Favored (28.25%)
General / -101.2,114.4
Favored (67%) m100
chi angles: 304.1,94.5
0.06Å---
A 417 GLN21.4-Favored (27.11%)
General / -99.9,114.1
Favored (5.3%) tt0
chi angles: 187.5,212.3,35.1
0.04Å---
A 418 TYR21.370.44Å
HB3 with A 438 PHE CE1
Favored (24.85%)
General / -99.3,112.8
Favored (68.9%) m-80
chi angles: 286.2,87.6
0.07Å---
#AltResHigh BClash > 0.4ÅRamachandranRotamerCβ deviationBond lengthsBond anglesCis Peptides
Avg: 37.75Clashscore: 1.74Outliers: 6 of 934Poor rotamers: 25 of 855Outliers: 2 of 892Outliers: 9 of 966Outliers: 14 of 966Non-Trans: 0 of 947
A 419 HIS20.17-Favored (10.4%)
General / -107.4,101.0
Favored (21.2%) t-170
chi angles: 188.1,179.6
0.07Å---
A 420 PHE21.82-Favored (21.02%)
General / -76.7,119.8
Favored (25.4%) t80
chi angles: 196.4,87.5
0.03Å---
A 421 ARG58.24-Favored (15.38%)
General / -109.7,-6.3
Favored (30.5%) mtm110
chi angles: 294.7,178.8,274.5,99.5
0.04Å---
A 422 THR25.49-Favored (27.74%)
General / -107.5,6.0
Favored (72.6%) p
chi angles: 61.8
0.07Å---
A 423 TRP27.83-Favored (88.42%)
Pre-Pro / -59.3,135.2
Favored (28.9%) t-100
chi angles: 192.7,274.2
0.04Å---
A 424 PRO25.31-Favored (47.73%)
Trans-Pro / -62.6,157.3
Favored (58.9%) Cg_endo
chi angles: 26.3,322.1,34.1
0.03Å---
A 425 ASP30.29-Favored (76.79%)
General / -61.7,-35.0
Favored (91.2%) m-30
chi angles: 293,346.3
0.05Å---
A 426 HIS29.03-Favored (50.25%)
General / -132.4,154.0
Favored (8.9%) m-70
chi angles: 294.3,336.8
0.09Å---
A 427 GLY21.86-Favored (51.22%)
Glycine / 71.5,-154.1
-----
A 428 VAL21.3-Favored (48.86%)
Pre-Pro / -130.2,163.3
Favored (28.7%) m
chi angles: 300.8
0.05Å---
A 429 PRO26.36-Favored (99.47%)
Trans-Pro / -59.4,144.2
Favored (86%) Cg_exo
chi angles: 333.7,40,321.9
0.06Å---
A 430 SER45.37-Favored (66.87%)
General / -65.8,-24.2
Favored (77.1%) p
chi angles: 60.3
0.01Å---
A 431 ASP48.11-Favored (20.93%)
Pre-Pro / -135.9,135.1
Favored (14.1%) t70
chi angles: 191.5,88.6
0.03Å---
A 432 PRO29.17-Favored (12.5%)
Trans-Pro / -81.3,-4.7
Favored (49.8%) Cg_endo
chi angles: 33,321.7,27.5
0.02Å---
A 433 GLY26.48-Favored (22.71%)
Glycine / -48.6,-51.4
-----
A 434 GLY26.37-Favored (97.16%)
Glycine / -61.8,-45.0
-----
A 435 VAL23.48-Favored (95.9%)
Ile or Val / -63.5,-42.4
Favored (7.9%) t
chi angles: 161.1
0.10Å---
A 436 LEU24.96-Favored (88.14%)
General / -64.5,-45.2
Favored (54.1%) mt
chi angles: 285.9,173.3
0.02Å---
A 437 ASP51.36-Favored (97.26%)
General / -61.0,-41.9
Favored (82.3%) m-30
chi angles: 288.2,356
0.03Å---
A 438 PHE21.230.44Å
CE1 with A 418 TYR HB3
Favored (64.77%)
General / -63.3,-51.8
Favored (68.1%) t80
chi angles: 171.3,83.3
0.05Å---
#AltResHigh BClash > 0.4ÅRamachandranRotamerCβ deviationBond lengthsBond anglesCis Peptides
Avg: 37.75Clashscore: 1.74Outliers: 6 of 934Poor rotamers: 25 of 855Outliers: 2 of 892Outliers: 9 of 966Outliers: 14 of 966Non-Trans: 0 of 947
A 439 LEU28.36-Favored (74.5%)
General / -60.8,-34.5
Favored (11.6%) mt
chi angles: 282.8,182.9
0.09Å---
A 440 GLU43.22-Favored (91.31%)
General / -61.8,-46.0
Favored (24.5%) tp30
chi angles: 198.7,64.8,15.9
0.02Å---
A 441 GLU31.22-Favored (92.43%)
General / -64.7,-43.8
Favored (61.3%) tp30
chi angles: 187.6,61.3,24.3
0.06Å---
A 442 VAL19.41-Favored (94.83%)
Ile or Val / -59.7,-44.9
Favored (60.5%) t
chi angles: 170.9
0.03Å---
A 443 HIS24.42-Favored (76.37%)
General / -59.0,-49.8
Favored (79.3%) t70
chi angles: 175.1,79.9
0.03Å---
A 444 HIS33.56-Favored (95.22%)
General / -63.6,-39.8
Favored (13%) m170
chi angles: 286.1,135.6
0.10Å---
A 445 LYS18.1-Favored (63.51%)
General / -58.1,-52.9
Favored (19.8%) tppt
chi angles: 182.4,65.1,66.1,175.4
0.03Å---
A 446 GLN22.85-Favored (90.97%)
General / -59.4,-45.6
Favored (19.9%) tp40
chi angles: 172,76.7,358.4
0.06Å---
A 447 GLU53.29-Favored (71.3%)
General / -59.3,-33.6
Allowed (0.5%) tt0
chi angles: 222.9,205.9,320.9
0.05Å---
A 448 SER22.23-Favored (60.25%)
General / -74.8,-11.9
Favored (53.7%) p
chi angles: 73.9
0.03Å---
A 449 ILE24.35-Favored (42.98%)
Ile or Val / -102.1,114.9
Favored (61%) mt
chi angles: 302.7,165.9
0.13Å OUTLIER(S)
worst is CG1--CD1: 4.1 σ
--
A 450 MET48.51-Favored (22.9%)
General / -58.8,125.3
Favored (17.9%) tpp
chi angles: 194.5,45.4,72.9
0.02Å---
A 451 ASP57.71-Favored (15.14%)
General / 56.0,29.8
Favored (32%) m-30
chi angles: 307.4,303.6
0.10Å---
A 452 ALA22.18-Favored (56.45%)
General / -59.0,139.8
-0.07Å---
A 453 GLY19.1-Favored (33.31%)
Glycine / -76.5,-171.5
-----
A 454 PRO22.52-Favored (79.17%)
Trans-Pro / -61.8,151.7
Favored (6.4%) Cg_endo
chi angles: 12.2,342.6,15.3
0.04Å---
A 455 VAL16.06-Favored (38.01%)
Ile or Val / -78.8,129.1
Favored (62.8%) t
chi angles: 171.2
0.06Å---
A 456 VAL16.95-Favored (36.35%)
Ile or Val / -88.8,131.4
Favored (16.1%) t
chi angles: 163.7
0.06Å---
A 457 VAL15.66-Favored (69.11%)
Ile or Val / -128.6,130.9
Favored (22.1%) t
chi angles: 186.5
0.03Å---
A 458 HIS19.31-Favored (43.22%)
General / -148.6,157.1
Favored (24.7%) p90
chi angles: 74.6,86.3
0.08Å---
#AltResHigh BClash > 0.4ÅRamachandranRotamerCβ deviationBond lengthsBond anglesCis Peptides
Avg: 37.75Clashscore: 1.74Outliers: 6 of 934Poor rotamers: 25 of 855Outliers: 2 of 892Outliers: 9 of 966Outliers: 14 of 966Non-Trans: 0 of 947
A 459 CYS23.35-Allowed (0.19%)
General / -132.8,-121.5
Favored (2.4%) p
chi angles: 46.1
0.06Å---
A 460 SER21.43-Allowed (0.53%)
General / -93.2,-74.4
Favored (28.1%) p
chi angles: 54.5
0.05Å---
A 461 ALA17.8-Favored (44.78%)
General / -79.2,-22.4
-0.02Å---
A 462 GLY15.21-Favored (31.01%)
Glycine / 82.0,31.8
-----
A 463 ILE17.31-Allowed (0.44%)
Ile or Val / -134.7,-36.3
Favored (13.4%) pt
chi angles: 64.2,183.8
0.14Å---
A 464 GLY16.2-Allowed (1.09%)
Glycine / -82.3,-76.6
-----
A 465 ARG23.3-Favored (96.07%)
General / -61.1,-41.1
Favored (76.7%) mtt180
chi angles: 297.4,180.4,198,175.8
0.05Å---
A 466 THR15.91-Favored (72.33%)
General / -56.7,-50.4
Favored (24.3%) m
chi angles: 291.6
0.09Å---
A 467 GLY15.05-Favored (91.84%)
Glycine / -64.0,-35.3
-----
A 468 THR16.68-Favored (75.04%)
General / -65.7,-47.6
Favored (97.8%) m
chi angles: 300
0.10Å---
A 469 PHE24.64-Favored (95.53%)
General / -63.1,-44.5
Favored (24%) m-80
chi angles: 276.5,74.9
0.06Å---
A 470 ILE16.38-Favored (93.28%)
Ile or Val / -61.0,-47.5
Favored (74.9%) mt
chi angles: 289.8,164.6
0.14Å---
A 471 VAL16.42-Favored (96.96%)
Ile or Val / -61.6,-46.2
Favored (60.1%) t
chi angles: 170.8
0.17Å---
A 472 ILE20.02-Favored (85.46%)
Ile or Val / -57.5,-44.7
Favored (65%) mt
chi angles: 291,175.6
0.07Å---
A 473 ASP22.34-Favored (99.11%)
General / -61.3,-43.3
Favored (11.3%) t70
chi angles: 199.8,59.1
0.11Å---
A 474 ILE19.28-Favored (85.73%)
Ile or Val / -61.9,-49.1
Favored (89.6%) mt
chi angles: 291.4,166.4
0.09Å---
A 475 LEU23.46-Favored (97.46%)
General / -63.2,-43.6
Favored (49.2%) mt
chi angles: 298.8,166.9
0.11Å---
A 476 ILE30.93-Favored (68.4%)
Ile or Val / -67.9,-34.6
Favored (71.1%) mt
chi angles: 291.4,161.5
0.12Å OUTLIER(S)
worst is CG1--CD1: 4.3 σ
--
A 477 ASP39.06-Favored (76.26%)
General / -61.7,-34.7
Favored (19.4%) t0
chi angles: 197.4,44.7
0.12Å---
A 478 ILE31.64-Favored (96.3%)
Ile or Val / -64.9,-44.2
Favored (63.9%) mt
chi angles: 297.1,161.3
0.12Å---
#AltResHigh BClash > 0.4ÅRamachandranRotamerCβ deviationBond lengthsBond anglesCis Peptides
Avg: 37.75Clashscore: 1.74Outliers: 6 of 934Poor rotamers: 25 of 855Outliers: 2 of 892Outliers: 9 of 966Outliers: 14 of 966Non-Trans: 0 of 947
A 479 ILE33.17-Favored (29.69%)
Ile or Val / -69.2,-25.5
Favored (8.2%) mt
chi angles: 304.3,150.2
0.18Å---
A 480 ARG38.68-Favored (39.38%)
General / -69.2,-51.3
Favored (28.7%) mtt-85
chi angles: 283.8,178,204.8,289.5
0.13Å---
A 481 GLU84.43-Favored (6.87%)
General / -75.1,-54.6
Favored (15.3%) tt0
chi angles: 198.1,182.7,46.4
0.06Å---
A 482 LYS86.88-Favored (53.52%)
General / -86.9,-10.4
Favored (97.8%) mttt
chi angles: 291.8,183.8,175,181.1
0.05Å---
A 483 GLY38.79-Favored (47.44%)
Glycine / 77.8,177.6
-----
A 484 VAL45.630.45Å
HG13 with A 224 ALA HB2
Favored (15.68%)
Ile or Val / -54.5,-26.2
OUTLIER (0%)
chi angles: 112.3
0.15Å---
A 485 ASP60.39-Favored (3.18%)
General / -94.5,65.3
OUTLIER (0%)
chi angles: 251.7,70.3
0.02Å---
A 486 CYS34.98-Favored (48.84%)
General / -135.6,156.5
Favored (28.6%) p
chi angles: 67.1
0.01Å---
A 487 ASP46.09-Favored (34.14%)
General / -89.0,133.9
Favored (62.4%) m-30
chi angles: 280.2,341.5
0.08Å---
A 488 ILE37.5-Favored (54.37%)
Ile or Val / -130.5,138.2
Allowed (0.9%) pt
chi angles: 59.8,140.2
0.21Å---
A 489 ASP26.92-Favored (3.15%)
General / -135.0,94.4
Favored (52.5%) t0
chi angles: 190.6,338.7
0.06Å---
A 490 VAL18.79-Favored (11.63%)
Pre-Pro / -53.4,-58.7
Favored (58.5%) t
chi angles: 170.6
0.19Å---
A 491 PRO19.81-Favored (87.35%)
Trans-Pro / -61.6,-31.9
Favored (18.2%) Cg_endo
chi angles: 18.6,331.7,26.3
0.09Å---
A 492 LYS57.95-Favored (91.47%)
General / -62.5,-45.8
Favored (84.2%) tttt
chi angles: 185.7,173.6,173.4,179.4
0.03Å---
A 493 THR19.47-Favored (90.92%)
General / -60.9,-46.4
Favored (86.4%) m
chi angles: 301.5
0.14Å---
A 494 ILE21.58-Favored (95.84%)
Ile or Val / -65.1,-43.5
Favored (92.4%) mt
chi angles: 297,171.7
0.10Å---
A 495 GLN22.86-Favored (76.31%)
General / -59.7,-36.4
Favored (15.7%) tp40
chi angles: 188.6,71,348.8
0.02Å---
A 496 MET29.6-Favored (95.24%)
General / -64.6,-42.8
Favored (13.3%) tmm
chi angles: 183.1,267.5,302.5
0.05Å---
A 497 VAL21.2-Favored (73.8%)
Ile or Val / -71.3,-40.3
Favored (77%) t
chi angles: 172.9
0.14Å---
A 498 ARG20.38-Favored (65.5%)
General / -62.9,-20.8
Favored (93.1%) mtt180
chi angles: 290.6,178.4,170.5,184.3
0.02Å---
#AltResHigh BClash > 0.4ÅRamachandranRotamerCβ deviationBond lengthsBond anglesCis Peptides
Avg: 37.75Clashscore: 1.74Outliers: 6 of 934Poor rotamers: 25 of 855Outliers: 2 of 892Outliers: 9 of 966Outliers: 14 of 966Non-Trans: 0 of 947
A 499 ASER22.53-Favored (58.66%)
General / -79.0,-8.1
Favored (57.6%) p
chi angles: 73.4
0.02Å---
A 499 BSER22.53-Favored (59.96%)
General / -76.2,-11.7
Favored (49.6%) m
chi angles: 301.3
0.05Å---
A 500 GLN19.33-Favored (13.26%)
General / -110.5,-18.2
Favored (54.8%) mt0
chi angles: 301.2,174.1,76.4
0.06Å---
A 501 ARG19.23-Favored (14.39%)
General / -155.8,137.6
Favored (51.5%) ttt90
chi angles: 186.7,168.3,167.8,85.4
0.02Å---
A 502 SER21.67-Favored (49.72%)
General / -57.7,131.2
Favored (62.6%) m
chi angles: 298.1
0.08Å---
A 503 GLY16.78-Favored (67.42%)
Glycine / 63.4,24.2
-----
A 504 MET18.87-Favored (17.89%)
General / -58.6,123.9
Favored (61.7%) mmm
chi angles: 295.1,285.2,276.1
0.04Å---
A 505 VAL16.51-OUTLIER (0.04)%)
Ile or Val / 76.8,105.4
Favored (15.5%) t
chi angles: 188.1
0.20Å---
A 506 GLN20.17-Favored (14.01%)
General / -90.8,-36.9
Favored (47.1%) mm-40
chi angles: 288.5,281.9,300.1
0.02Å---
A 507 THR18.6-Favored (28.76%)
General / -128.7,161.8
Favored (75.9%) p
chi angles: 61.2
0.03Å---
A 508 GLU60.18-Favored (78.53%)
General / -62.2,-35.3
Allowed (0.5%) tm-30
chi angles: 194.1,249.8,27.3
0.10Å---
A 509 ALA19.96-Favored (98.68%)
General / -61.1,-42.5
-0.02Å---
A 510 GLN19.52-Favored (80.81%)
General / -68.7,-39.0
Favored (77.1%) mt0
chi angles: 287.4,164.1,353.4
0.06Å---
A 511 TYR21.06-Favored (87.41%)
General / -58.8,-46.5
Favored (42.7%) t80
chi angles: 191.5,75
0.05Å---
A 512 ARG69.33-Favored (89.16%)
General / -66.1,-38.8
Favored (45.6%) ttm110
chi angles: 179.8,183.1,290.3,110.5
0.05Å---
A 513 PHE19.13-Favored (79.69%)
General / -61.0,-36.5
Favored (77.9%) t80
chi angles: 184.1,79.7
0.07Å---
A 514 ILE19.21-Favored (94.73%)
Ile or Val / -63.5,-46.6
Favored (84.2%) mt
chi angles: 292.4,163.2
0.09Å---
A 515 TYR23.62-Favored (98.07%)
General / -61.2,-42.1
Favored (5.8%) m-80
chi angles: 267.4,278.9
0.03Å---
A 516 MET38-Favored (90.13%)
General / -64.4,-38.2
Favored (63.6%) mmm
chi angles: 294.3,313.4,285.1
0.05Å---
A 517 ALA24.73-Favored (73.36%)
General / -69.1,-44.0
-0.03Å---
#AltResHigh BClash > 0.4ÅRamachandranRotamerCβ deviationBond lengthsBond anglesCis Peptides
Avg: 37.75Clashscore: 1.74Outliers: 6 of 934Poor rotamers: 25 of 855Outliers: 2 of 892Outliers: 9 of 966Outliers: 14 of 966Non-Trans: 0 of 947
A 518 VAL26.71-Favored (95.19%)
Ile or Val / -60.1,-45.8
Favored (39.9%) t
chi angles: 167.6
0.07Å---
A 519 GLN47.93-Favored (74.29%)
General / -57.1,-50.0
Favored (14.1%) tt0
chi angles: 178.5,181.6,242.1
0.07Å---
A 520 HIS40.12-Favored (93.53%)
General / -61.5,-40.2
Favored (71.1%) t-90
chi angles: 194.2,284.2
0.05Å---
A 521 TYR35.2-Favored (88.41%)
General / -63.1,-46.2
Favored (88.9%) t80
chi angles: 179.1,81.3
0.06Å---
A 522 ILE36.18-Favored (85.4%)
Ile or Val / -66.4,-40.0
Favored (48.8%) mt
chi angles: 286.7,161.5
0.16Å---
A 523 GLU85.05-Favored (66.85%)
General / -65.7,-23.9
Allowed (1.3%) tt0
chi angles: 207.8,204.6,21.3
0.08Å---
A 524 THR48.9-Favored (39.41%)
General / -102.0,10.8
Favored (80.3%) p
chi angles: 60.5
0.15Å---
A 525 LEU88.3--OUTLIER (0.1%)
chi angles: 239.7,48.7
0.03Å---
B 4 ARG26.28--Favored (22.2%) ttt-90
chi angles: 205.6,167.6,176.4,270.8
0.02Å---
B 5 ARG63.03-Favored (62.13%)
General / -70.6,-13.5
Favored (21.3%) mmm-85
chi angles: 299.3,276.6,309.5,261.3
0.04Å---
B 6 TRP22.61-Favored (60.56%)
General / -73.2,-11.5
Favored (26.5%) p-90
chi angles: 43.8,259.3
0.09Å---
B 7 PHE25.32-Favored (26.39%)
General / -87.3,117.9
Favored (35.8%) t80
chi angles: 194,86
0.15Å---
B 8 HIS26.87-Favored (60.09%)
Pre-Pro / -105.5,107.8
Favored (9.9%) m-70
chi angles: 297.7,234.4
0.02Å---
B 9 PRO32.15-Favored (14.97%)
Trans-Pro / -72.4,-28.3
Favored (38.1%) Cg_endo
chi angles: 23,328.1,27.4
0.06Å---
B 10 ASN54.93-Favored (14.28%)
General / -115.5,4.7
Favored (64.8%) m-40
chi angles: 288.8,301.9
0.04Å---
B 11 ILE39.5-Favored (3.96%)
Ile or Val / -82.4,155.4
Favored (2.9%) tt
chi angles: 209.3,164.9
0.13Å---
B 12 THR35.6-Favored (9.24%)
General / -101.6,168.8
Favored (21.5%) p
chi angles: 72
0.09Å---
B 13 GLY32.37-Favored (97.19%)
Glycine / -61.3,-39.4
-----
B 14 VAL37.29-Favored (82.92%)
Ile or Val / -61.5,-49.8
Favored (97.7%) t
chi angles: 175.2
0.08Å---
B 15 GLU53.12-Favored (92.29%)
General / -61.3,-39.9
Favored (81.8%) mt-10
chi angles: 295,166.7,338.8
0.13Å---
#AltResHigh BClash > 0.4ÅRamachandranRotamerCβ deviationBond lengthsBond anglesCis Peptides
Avg: 37.75Clashscore: 1.74Outliers: 6 of 934Poor rotamers: 25 of 855Outliers: 2 of 892Outliers: 9 of 966Outliers: 14 of 966Non-Trans: 0 of 947
B 16 ALA29.9-Favored (88.42%)
General / -63.9,-45.7
-0.02Å---
B 17 GLU68.42-Favored (69.6%)
General / -55.3,-50.5
Favored (20.3%) mt-10
chi angles: 271.9,178.3,7.8
0.05Å---
B 18 ASN63.17-Favored (87.54%)
General / -65.6,-37.8
Favored (71.6%) m-40
chi angles: 288.2,310.9
0.14Å---
B 19 LEU41.85-Favored (85.97%)
General / -65.0,-45.3
Allowed (1.6%) tp
chi angles: 217.1,60.7
0.05Å---
B 20 LEU33.26-Favored (89.62%)
General / -66.3,-39.8
Favored (38.7%) mt
chi angles: 291.5,161.3
0.09Å---
B 21 LEU40.29-Favored (58.32%)
General / -76.1,-30.4
Favored (62.9%) mt
chi angles: 296.5,167.1
0.11Å---
B 22 THR37.18-Favored (11.49%)
General / -98.0,-32.8
Favored (35.8%) p
chi angles: 68.5
0.11Å---
B 23 ARG87.55-Favored (13.33%)
General / -113.5,-9.2
Favored (19.9%) mtp-110
chi angles: 290.9,192.5,54.2,250.6
0.07Å---
B 24 GLY31.45-Favored (19.12%)
Glycine / -114.1,-176.7
-----
B 25 VAL31.51-Favored (5.08%)
Ile or Val / -135.4,178.6
Favored (31.2%) m
chi angles: 297.8
0.08Å---
B 26 ASP49.18-Favored (10.27%)
General / -59.6,120.9
Favored (62.2%) m-30
chi angles: 281.9,1.7
0.03Å---
B 27 GLY28.55-Favored (49.26%)
Glycine / 103.7,-7.0
-----
B 28 SER27.750.44Å
HA with B 100 TYR O
Favored (42.45%)
General / -73.5,149.1
Favored (48.1%) m
chi angles: 291
0.05Å---
B 29 PHE25.29-Favored (41.13%)
General / -153.8,162.6
Favored (39%) p90
chi angles: 70.2,87.1
0.04Å---
B 30 LEU25.01-Favored (39.85%)
General / -152.4,163.3
Favored (3.4%) pp
chi angles: 60,80.8
0.11Å---
B 31 ALA25.12-Favored (41.68%)
General / -122.7,151.3
-0.08Å---
B 32 ARG36.75-Favored (13.44%)
Pre-Pro / -158.8,167.9
Favored (42.2%) ptt90
chi angles: 53.8,186.1,179.9,82.2
0.14Å---
B 33 PRO29.98-Favored (73.25%)
Trans-Pro / -69.0,152.2
Favored (25.6%) Cg_exo
chi angles: 340.8,35.9,322.3
0.09Å---
B 34 SER30.51-Favored (35.17%)
General / -82.9,132.0
Favored (18.2%) t
chi angles: 169.5
0.05Å---
B 35 LYS77.15-Favored (18.14%)
General / -88.5,-32.7
Favored (11%) mmtt
chi angles: 293.8,281,206.2,207.5
0.02Å---
#AltResHigh BClash > 0.4ÅRamachandranRotamerCβ deviationBond lengthsBond anglesCis Peptides
Avg: 37.75Clashscore: 1.74Outliers: 6 of 934Poor rotamers: 25 of 855Outliers: 2 of 892Outliers: 9 of 966Outliers: 14 of 966Non-Trans: 0 of 947
B 36 SER36.72-Favored (64.3%)
General / -72.0,-29.5
Favored (77.1%) p
chi angles: 70.7
0.06Å---
B 37 ASN58.95-Favored (49.61%)
Pre-Pro / -134.7,80.7
Allowed (1.8%) t0
chi angles: 201.2,223.2
0.10Å---
B 38 PRO40.55-Favored (14.69%)
Trans-Pro / -49.6,125.7
Favored (87.5%) Cg_exo
chi angles: 330.7,40.3,325.1
0.05Å---
B 39 GLY33.57-Favored (24.3%)
Glycine / 111.3,-19.7
-----
B 40 ASP50.35-Favored (8.38%)
General / -94.6,172.1
Favored (10%) m-30
chi angles: 274,15.3
0.09Å- OUTLIER(S)
worst is CA-CB-CG: 7.2 σ
-
B 41 PHE25.09-Favored (22.2%)
General / -133.7,166.6
Favored (98.7%) m-80
chi angles: 297.9,274.3
0.03Å---
B 42 THR29.63-Favored (35.64%)
General / -138.0,135.1
Favored (22.4%) m
chi angles: 308.2
0.06Å---
B 43 LEU27.3-Favored (20.96%)
General / -99.2,108.4
Favored (43.1%) tp
chi angles: 181.4,55.2
0.05Å---
B 44 SER29.62-Favored (34.25%)
General / -98.6,118.0
Favored (55.9%) m
chi angles: 299.9
0.06Å---
B 45 VAL29.09-Favored (66.11%)
Ile or Val / -126.4,134.6
Favored (34.9%) t
chi angles: 184.6
0.06Å---
B 46 ARG45.34-Favored (38.31%)
General / -92.3,129.2
Favored (64%) ttt180
chi angles: 177.2,166.1,166.3,176.4
0.06Å---
B 47 ARG104.6-Favored (18.93%)
General / -152.8,139.5
OUTLIER (0%)
chi angles: 74.8,114.2,38.4,97.5
0.15Å---
B 48 ASN71.61-Favored (27.33%)
General / 52.0,39.9
Favored (34.3%) m110
chi angles: 300,131.4
0.11Å---
B 49 GLY37.08-Favored (64.58%)
Glycine / 69.7,10.7
-----
B 50 ALA36.32-Favored (19.73%)
General / -127.5,165.5
-0.03Å---
B 51 VAL36.38-Favored (65.98%)
Ile or Val / -112.3,130.5
Favored (82.7%) t
chi angles: 173.4
0.09Å---
B 52 THR46.46-Favored (51.43%)
General / -112.7,137.2
Favored (10.4%) t
chi angles: 188.5
0.16Å---
B 53 HIS32.89-Favored (28.54%)
General / -113.8,115.9
Favored (84.8%) m-70
chi angles: 299.6,272.2
0.08Å---
B 54 ILE34.47-Favored (63.6%)
Ile or Val / -107.4,124.8
Favored (24.7%) mt
chi angles: 310.9,168.9
0.07Å---
B 55 LYS81.72-Favored (49.83%)
General / -71.7,142.5
Allowed (0.4%) ttpm
chi angles: 175.1,173.1,89.5,281.2
0.07Å---
#AltResHigh BClash > 0.4ÅRamachandranRotamerCβ deviationBond lengthsBond anglesCis Peptides
Avg: 37.75Clashscore: 1.74Outliers: 6 of 934Poor rotamers: 25 of 855Outliers: 2 of 892Outliers: 9 of 966Outliers: 14 of 966Non-Trans: 0 of 947
B 56 ILE25.86-Favored (38.61%)
Ile or Val / -127.2,114.9
Favored (65.8%) mt
chi angles: 303,169.3
0.02Å---
B 57 GLN61.08-Favored (23.3%)
General / -99.8,149.5
Favored (44%) mt0
chi angles: 297.9,176.3,266.9
0.13Å---
B 58 ASN25.9-Favored (3.41%)
General / -148.1,102.8
Favored (39.7%) t0
chi angles: 194.4,334.2
0.05Å---
B 59 THR36.13-Favored (57.55%)
General / -89.6,-0.5
Favored (44.3%) p
chi angles: 66.8
0.07Å---
B 60 GLY19.31-Favored (5.69%)
Glycine / 131.1,-9.0
-----
B 61 ASP25.91-Favored (9.33%)
General / -107.8,-29.0
Favored (35.6%) m-30
chi angles: 307,311.9
0.02Å---
B 62 TYR32.1-Allowed (1.97%)
General / -177.6,164.0
Favored (2.1%) p90
chi angles: 43.4,67.2
0.08Å---
B 63 TYR27.71-Favored (24.3%)
General / -85.9,116.7
Favored (95.3%) m-80
chi angles: 292.3,88.7
0.05Å---
B 64 ASP38.59-Favored (11.93%)
General / -107.3,102.7
Favored (56.1%) t0
chi angles: 185,2.8
0.07Å- OUTLIER(S)
worst is CA-CB-CG: 4.3 σ
-
B 65 LEU28.73-Favored (24.42%)
General / -81.9,119.8
Favored (12.6%) tp
chi angles: 177.2,76.2
0.03Å---
B 66 TYR53.87-Favored (13.81%)
General / -57.5,122.9
Favored (27.3%) t80
chi angles: 194.7,70.5
0.01Å---
B 67 GLY34.13-Favored (58.3%)
Glycine / 72.3,3.8
-----
B 68 GLY30.37-Favored (7.81%)
Glycine / -121.2,-147.9
-----
B 69 GLU81.81-Favored (4.21%)
General / -109.0,179.3
Favored (33.9%) mt-10
chi angles: 282.4,155,345.6
0.12Å- OUTLIER(S)
worst is CB-CG-CD: 4.4 σ
-
B 70 LYS48.99-Favored (45.5%)
General / -100.1,132.4
Favored (64.6%) mttt
chi angles: 287.3,162.6,191.3,174.1
0.03Å---
B 71 PHE23.05-Favored (39.55%)
General / -128.4,158.0
Favored (87.2%) m-80
chi angles: 290.6,275.6
0.03Å---
B 72 ALA17.47-Favored (32.17%)
General / -81.8,-30.3
-0.03Å---
B 73 THR18.55-Favored (44.06%)
General / -147.2,158.7
Favored (19.5%) p
chi angles: 72.8
0.07Å---
B 74 LEU22.45-Favored (77.96%)
General / -60.9,-36.0
Favored (23.4%) mt
chi angles: 290.3,185.7
0.03Å---
B 75 ALA19.52-Favored (98.29%)
General / -63.6,-41.7
-0.01Å---
#AltResHigh BClash > 0.4ÅRamachandranRotamerCβ deviationBond lengthsBond anglesCis Peptides
Avg: 37.75Clashscore: 1.74Outliers: 6 of 934Poor rotamers: 25 of 855Outliers: 2 of 892Outliers: 9 of 966Outliers: 14 of 966Non-Trans: 0 of 947
B 76 GLU31.13-Favored (79.3%)
General / -65.6,-34.9
Favored (74.8%) mt-10
chi angles: 285.2,186.2,5.8
0.09Å---
B 77 LEU21.6-Favored (51.33%)
General / -63.1,-53.6
Favored (7.5%) tt
chi angles: 186.4,152.3
0.11Å---
B 78 VAL24.29-Favored (95.8%)
Ile or Val / -62.9,-42.3
Favored (65%) t
chi angles: 171.5
0.15Å---
B 79 GLN37.32-Favored (93.71%)
General / -59.6,-42.9
Favored (59.3%) tt0
chi angles: 178.8,176.5,47.3
0.02Å---
B 80 TYR46.04-Favored (67.23%)
General / -59.7,-52.0
Favored (85.8%) t80
chi angles: 178.3,83.7
0.09Å---
B 81 TYR32.23-Favored (59.52%)
General / -75.6,-30.4
Favored (57.8%) m-80
chi angles: 293.6,295.4
0.09Å---
B 82 MET38.03-Favored (72.23%)
General / -69.0,-32.6
Favored (11.6%) mtp
chi angles: 274.3,194.6,85.3
0.03Å---
B 83 GLU78.51--Allowed (1%) tt0
chi angles: 223.7,181.6,80.4
0.05Å---
B 96 ILE49.79--OUTLIER (0.1%)
chi angles: 188,114.2
0.17Å---
B 97 GLU75.41-Favored (41.04%)
General / -100.9,136.2
Favored (13%) mt-10
chi angles: 297.6,203,301.2
0.09Å---
B 98 LEU30.7-Favored (3.62%)
General / -103.8,90.4
Favored (4.1%) mt
chi angles: 293.6,201.4
0.04Å---
B 99 LYS75.89-Favored (3.18%)
General / -103.6,-51.5
Favored (20.3%) mtpp
chi angles: 287.5,164.5,73.8,66
0.02Å---
B 100 TYR32.930.44Å
O with B 28 SER HA
Favored (36.19%)
Pre-Pro / -120.4,109.9
Favored (35.6%) m-80
chi angles: 310.5,283.4
0.02Å---
B 101 PRO30.44-Favored (48.35%)
Trans-Pro / -63.2,135.0
Favored (17.4%) Cg_endo
chi angles: 18.3,333.4,24
0.04Å---
B 102 LEU32.87-Favored (22.36%)
General / -98.0,109.6
Favored (5.7%) tt
chi angles: 191.5,152.3
0.03Å---
B 103 ASN36.61-Favored (43.61%)
General / -73.4,132.9
Favored (67.8%) m-40
chi angles: 299.4,337.2
0.12Å---
B 104 CYS29.34-Favored (33.71%)
General / -83.5,137.8
Favored (45.5%) t
chi angles: 177.6
0.03Å---
B 105 ALA34.41-Favored (25.94%)
General / -105.6,-0.3
-0.04Å---
B 106 ASP47.67-Favored (89.78%)
Pre-Pro / -73.0,123.6
Favored (65%) t0
chi angles: 186.4,343.3
0.07Å- OUTLIER(S)
worst is CA-CB-CG: 6.5 σ
-
B 107 PRO32.79-Favored (7.11%)
Trans-Pro / -87.6,0.9
Favored (44.4%) Cg_endo
chi angles: 33.6,328.2,17.1
0.06Å---
#AltResHigh BClash > 0.4ÅRamachandranRotamerCβ deviationBond lengthsBond anglesCis Peptides
Avg: 37.75Clashscore: 1.74Outliers: 6 of 934Poor rotamers: 25 of 855Outliers: 2 of 892Outliers: 9 of 966Outliers: 14 of 966Non-Trans: 0 of 947
B 108 THR49.54-Favored (50.86%)
General / -56.4,-25.8
Favored (21.8%) p
chi angles: 51.1
0.14Å---
B 109 SER33.82-Favored (29.09%)
General / -101.0,15.3
Favored (45.4%) m
chi angles: 290.6
0.10Å---
B 110 GLU46.04-Favored (31.68%)
General / -85.2,139.4
Favored (54.2%) mm-30
chi angles: 297.7,282.8,4.3
0.02Å---
B 111 AARG47.530.54Å
HD3 with B 601 5OD CL1
Favored (69.52%)
General / -54.8,-40.5
Favored (2.2%) mmm160
chi angles: 300.2,259.5,280.2,111.9
0.11Å---
B 111 BARG39.96-Favored (73.6%)
General / -60.3,-34.3
Favored (38.8%) mtm180
chi angles: 285.1,191.5,290.9,151.3
0.01Å---
B 112 TRP27.92-Favored (57.68%)
General / -88.1,-6.9
Favored (22.4%) p-90
chi angles: 44,256.5
0.04Å---
B 113 PHE32.87-Favored (36.51%)
General / -93.7,122.8
Favored (62.1%) t80
chi angles: 185.7,70.6
0.09Å---
B 114 HIS43.34-Favored (13.37%)
General / -118.7,18.9
Favored (74.4%) m-70
chi angles: 288.9,270
0.07Å---
B 115 GLY53.01-OUTLIER (0.09)%)
Glycine / 33.9,-113.3
-----
B 116 HIS64.41-Favored (4.56%)
General / -78.6,87.0
Favored (21.8%) t70
chi angles: 197,84.2
0.12Å---
B 117 LEU63.630.41Å
O with B 138 ARG HD2
Favored (25.79%)
General / -138.5,128.7
Allowed (1.7%) tp
chi angles: 193.9,88.1
0.06Å---
B 118 SER62.49-Favored (33.8%)
General / -76.2,156.3
Favored (48.1%) p
chi angles: 75.2
0.07Å---
B 119 GLY55.49-Favored (82.2%)
Glycine / -60.6,-33.5
-----
B 120 LYS101.7-Favored (27.14%)
General / -78.5,-43.3
Allowed (0.6%) ptpt
chi angles: 45.4,214.9,83.8,202.5
0.13Å---
B 121 GLU88.99-Favored (65.76%)
General / -67.2,-21.6
Favored (3.8%) pt0
chi angles: 83,183.6,290.2
0.17Å---
B 122 ALA47.03-Favored (31.41%)
General / -80.2,-38.2
-0.02Å---
B 123 GLU71.14-Favored (75.93%)
General / -69.3,-35.3
Favored (2.9%) mt-10
chi angles: 265.9,189.1,65.6
0.02Å---
B 124 LYS85.2-Favored (46.26%)
General / -62.5,-54.0
OUTLIER (0%)
chi angles: 175.3,123.4,251.1,181.7
0.04Å---
B 125 LEU48.620.47Å
HB3 with B 216 LEU HD21
Favored (92.2%)
General / -59.2,-44.8
Favored (53.4%) mt
chi angles: 291.5,163.5
0.05Å---
B 126 LEU43.22-Favored (68.65%)
General / -67.3,-29.1
Favored (18.8%) mt
chi angles: 280.5,161.2
0.10Å---
#AltResHigh BClash > 0.4ÅRamachandranRotamerCβ deviationBond lengthsBond anglesCis Peptides
Avg: 37.75Clashscore: 1.74Outliers: 6 of 934Poor rotamers: 25 of 855Outliers: 2 of 892Outliers: 9 of 966Outliers: 14 of 966Non-Trans: 0 of 947
B 127 THR54.04-Favored (28.89%)
General / -75.2,-47.3
Favored (65.6%) m
chi angles: 295.8
0.13Å---
B 128 GLU84.66-Favored (20.03%)
General / -79.4,-45.2
Favored (55.6%) mt-10
chi angles: 304.1,178.1,325.9
0.07Å---
B 129 LYS86.06-Favored (16.1%)
General / -99.0,-21.7
Favored (64%) mttt
chi angles: 304.4,168.7,168.7,182.8
0.06Å---
B 130 GLY41.51-Favored (49.42%)
Glycine / -77.7,161.1
-----
B 131 LYS77.66-Favored (5.41%)
General / -139.0,-178.6
Favored (8.8%) pttp
chi angles: 54.9,184.6,194.2,73
0.08Å---
B 132 HIS45.08-Favored (23.46%)
General / -59.5,125.4
Favored (35.5%) t70
chi angles: 173.1,92.1
0.11Å---
B 133 GLY32.920.41Å
HA3 with B 213 LYS HB2
Favored (72.21%)
Glycine / 92.4,-1.1
-----
B 134 SER33.7-Favored (32.88%)
General / -70.4,127.5
Favored (63.6%) m
chi angles: 294
0.03Å---
B 135 PHE30.71-Favored (25.04%)
General / -138.3,166.1
Favored (25.7%) p90
chi angles: 73,282.1
0.08Å---
B 136 LEU35.5-Favored (41.39%)
General / -154.2,159.5
Favored (3.6%) pp
chi angles: 66.1,85.2
0.10Å---
B 137 VAL30.19-Favored (71.99%)
Ile or Val / -125.9,131.3
Favored (79.1%) t
chi angles: 178
0.14Å---
B 138 ARG51.780.41Å
HD2 with B 117 LEU O
Favored (32.63%)
General / -135.9,162.5
Favored (29.3%) ptt90
chi angles: 56.6,170.1,191.7,89.6
0.01Å---
B 139 GLU80.63-Favored (50.95%)
General / -70.8,139.2
Favored (3.2%) mt-10
chi angles: 267.1,166.2,48
0.06Å---
B 140 SER66.32--Favored (43.7%) t
chi angles: 180.8
0.02Å---
B 142 SER81.12--Favored (92.7%) p
chi angles: 64.5
0.04Å---
B 143 HIS77.17-Favored (6.04%)
Pre-Pro / -112.5,84.1
Favored (64.5%) m90
chi angles: 301,79.9
0.03Å---
B 144 PRO69.16-Favored (59.26%)
Trans-Pro / -66.0,140.2
Favored (45.3%) Cg_endo
chi angles: 24.6,327.7,26.8
0.06Å---
B 145 GLY52.91-Favored (18.5%)
Glycine / 104.7,-27.6
-----
B 146 ASP51.75-Favored (15.49%)
General / -86.5,166.4
Favored (21.1%) m-30
chi angles: 292.3,7.9
0.07Å---
B 147 PHE32.68-Favored (19.55%)
General / -132.4,167.6
Favored (92%) m-80
chi angles: 298.9,88.1
0.05Å---
#AltResHigh BClash > 0.4ÅRamachandranRotamerCβ deviationBond lengthsBond anglesCis Peptides
Avg: 37.75Clashscore: 1.74Outliers: 6 of 934Poor rotamers: 25 of 855Outliers: 2 of 892Outliers: 9 of 966Outliers: 14 of 966Non-Trans: 0 of 947
B 148 VAL34.39-Favored (63.59%)
Ile or Val / -130.5,128.5
Favored (8.6%) t
chi angles: 190.4
0.07Å---
B 149 LEU37.99-Favored (34%)
General / -100.8,117.0
Favored (5.4%) tp
chi angles: 159.2,65.3
0.05Å---
B 150 SER40.34-Favored (55.89%)
General / -114.0,127.3
Favored (2.7%) m
chi angles: 313.7
0.08Å---
B 151 VAL36.44-Favored (47.51%)
Ile or Val / -125.2,140.7
Favored (2.8%) t
chi angles: 192.8
0.05Å---
B 152 ARG65.55-Favored (47.97%)
General / -101.6,131.2
OUTLIER (0.1%)
chi angles: 212.1,222.6,217.6,215.4
0.03Å---
B 153 THR58.29--Favored (7.6%) p
chi angles: 45.9
0.13Å---
B 165 SER49.3--Favored (48.2%) m
chi angles: 291.1
0.03Å---
B 166 LYS52.08-Favored (36.63%)
General / -153.2,165.1
OUTLIER (0%)
chi angles: 55.1,165.3,279.3,81.5
0.03Å---
B 167 VAL40.46-Favored (70.35%)
Ile or Val / -117.0,122.6
Favored (49.9%) t
chi angles: 169.4
0.10Å---
B 168 THR41.41-Favored (51.22%)
General / -107.2,133.8
Favored (26.9%) m
chi angles: 307.3
0.04Å---
B 169 HIS45.34-Favored (40.34%)
General / -109.9,119.8
Favored (58.6%) m-70
chi angles: 309.2,275.2
0.01Å---
B 170 VAL39.42-Favored (58.33%)
Ile or Val / -108.6,119.5
Favored (76%) t
chi angles: 178.2
0.10Å---
B 171 MET51.48-Favored (37.33%)
General / -74.5,129.2
Favored (77.3%) mmm
chi angles: 304,309.3,298.3
0.03Å---
B 172 ILE33.93-Favored (39.4%)
Ile or Val / -110.2,112.2
Favored (83.6%) mt
chi angles: 293.3,163.5
0.07Å---
B 173 ARG93.75-Favored (24%)
General / -91.6,146.2
OUTLIER (0%)
chi angles: 23.1,213.4,277,97.5
0.13Å---
B 174 CYS43.47-Favored (17.26%)
General / -108.2,106.9
Favored (52.5%) t
chi angles: 180.7
0.03Å---
B 175 GLN45.58-Favored (43.12%)
General / -121.1,123.8
Favored (35.7%) mt0
chi angles: 302.9,188,86.1
0.06Å---
B 176 GLU77.52-Favored (2.48%)
General / 40.0,56.8
Favored (13.9%) mm-30
chi angles: 296,288.5,278.4
0.11Å---
B 177 LEU46.35-Favored (4.31%)
General / 67.7,5.2
OUTLIER (0.1%)
chi angles: 305.5,328.5
0.15Å- OUTLIER(S)
worst is C-N-CA: 4.1 σ
-
B 178 LYS77.17-Favored (31.18%)
General / -116.1,153.7
Favored (4.4%) mmtt
chi angles: 309.4,281.6,157.6,213.9
0.07Å---
#AltResHigh BClash > 0.4ÅRamachandranRotamerCβ deviationBond lengthsBond anglesCis Peptides
Avg: 37.75Clashscore: 1.74Outliers: 6 of 934Poor rotamers: 25 of 855Outliers: 2 of 892Outliers: 9 of 966Outliers: 14 of 966Non-Trans: 0 of 947
B 179 TYR51.27-Favored (49.08%)
General / -112.5,138.5
Favored (71.5%) m-80
chi angles: 304.5,277.4
0.04Å---
B 180 ASP34.11-Favored (41.58%)
General / -149.4,161.7
Favored (3.5%) p0
chi angles: 68.5,81.4
0.06Å---
B 181 VAL33.22-Allowed (0.63%)
Ile or Val / -97.1,26.3
Favored (31.2%) m
chi angles: 300.4
0.17Å---
B 182 GLY37.84-Favored (52.43%)
Glycine / 102.2,-18.1
-----
B 183 GLY34.55-Favored (36.07%)
Glycine / -162.7,165.0
-----
B 184 GLY29.82-Favored (15.72%)
Glycine / 82.4,-136.6
-----
B 185 GLU57.6-Favored (42.13%)
General / -74.0,148.2
Favored (60.8%) mm-30
chi angles: 303.7,303.6,314.3
0.11Å---
B 186 ARG46.87-Favored (56.1%)
General / -114.7,128.1
Favored (50.8%) mtp180
chi angles: 294.5,174.5,61.6,218.6
0.05Å---
B 187 PHE37.71-Favored (26.4%)
General / -104.5,148.5
Favored (69.9%) m-80
chi angles: 304.4,272.3
0.06Å---
B 188 ASP57.09-Favored (61.11%)
General / -73.6,-17.9
Favored (41%) m-30
chi angles: 303.9,333.5
0.04Å---
B 189 SER32.17-Favored (39.15%)
General / -156.8,163.5
Favored (86.3%) p
chi angles: 67.2
0.07Å---
B 190 LEU30.65-Favored (80.47%)
General / -66.2,-35.4
Favored (64.8%) mt
chi angles: 286.7,172.4
0.05Å---
B 191 THR31.07-Favored (75.97%)
General / -57.3,-49.5
Favored (89.4%) m
chi angles: 298.3
0.04Å---
B 192 ASP41.67-Favored (94.38%)
General / -60.7,-41.0
Favored (94.7%) m-30
chi angles: 291.3,347.3
0.05Å- OUTLIER(S)
worst is CA-CB-CG: 4.5 σ
-
B 193 LEU27.6-Favored (69.88%)
General / -62.2,-50.9
Favored (6.7%) tt
chi angles: 183,154.9
0.03Å---
B 194 VAL28.45-Favored (97.34%)
Ile or Val / -61.4,-43.8
Favored (35.5%) t
chi angles: 166.3
0.13Å---
B 195 GLU58.320.42Å
HG2 with B 824 HOH O
Favored (95.12%)
General / -60.2,-44.4
Favored (14.5%) mm-30
chi angles: 275.8,312.6,302.3
0.05Å---
B 196 HIS40.81-Favored (93.32%)
General / -61.3,-45.7
Favored (29%) t70
chi angles: 178.2,97.7
0.02Å---
B 197 TYR37.07-Favored (59.52%)
General / -83.2,-6.5
Favored (55.8%) m-80
chi angles: 290.2,293.7
0.17Å---
B 198 LYS70.7-Favored (27.6%)
General / -79.8,-41.0
Favored (15.2%) mtpt
chi angles: 272.1,164.4,87.1,179.7
0.11Å---
#AltResHigh BClash > 0.4ÅRamachandranRotamerCβ deviationBond lengthsBond anglesCis Peptides
Avg: 37.75Clashscore: 1.74Outliers: 6 of 934Poor rotamers: 25 of 855Outliers: 2 of 892Outliers: 9 of 966Outliers: 14 of 966Non-Trans: 0 of 947
B 199 LYS93.11-Favored (24.39%)
General / -80.6,-41.2
Favored (2.1%) tmtt
chi angles: 210,254.8,172.8,186.5
0.02Å---
B 200 ASN59.04-Favored (26.97%)
Pre-Pro / -120.1,80.0
Favored (3.1%) m110
chi angles: 317.5,101.8
0.03Å---
B 201 PRO44.96-Favored (65.65%)
Trans-Pro / -65.5,141.0
Favored (9.6%) Cg_exo
chi angles: 347.3,26.3,331.1
0.07Å---
B 202 MET45.37-Favored (58.45%)
General / -65.2,138.7
Favored (22.2%) mtm
chi angles: 286.4,166.6,298.8
0.05Å---
B 203 VAL46.38-Favored (72.51%)
Ile or Val / -124.3,126.7
Favored (64.7%) t
chi angles: 179.4
0.08Å---
B 204 GLU68.65-Favored (49.81%)
General / -68.7,148.8
Favored (81.2%) mt-10
chi angles: 286.8,185,342.3
0.02Å---
B 205 THR58.46-Favored (59.11%)
General / -54.5,-33.1
Favored (2%) m
chi angles: 318.5
0.17Å---
B 206 LEU52.49-Favored (26.96%)
General / -80.3,1.9
Favored (3.8%) mp
chi angles: 295,93.5
0.13Å---
B 207 GLY39.05-Favored (44.38%)
Glycine / 105.5,-8.6
-----
B 208 THR40.97-Favored (14.15%)
General / -67.6,120.5
Favored (53.8%) m
chi angles: 295
0.17Å---
B 209 VAL41.41-Favored (29.96%)
Ile or Val / -84.6,117.4
Favored (55.5%) t
chi angles: 180.5
0.06Å---
B 210 LEU42.67-Favored (10.08%)
General / -83.1,70.5
Favored (82.4%) mt
chi angles: 298.3,180.5
0.13Å---
B 211 GLN81.83-Favored (19.09%)
General / -69.3,122.5
Allowed (0.5%) mt0
chi angles: 261.2,149.6,338.4
0.08Å---
B 212 LEU39.67-Favored (3.24%)
General / -96.0,79.2
Favored (15.2%) mt
chi angles: 313.6,181.8
0.05Å---
B 213 LYS98.820.41Å
HB2 with B 133 GLY HA3
Favored (12.67%)
General / -77.4,-50.5
Favored (3.1%) mmtm
chi angles: 290.3,254.9,184.5,282.2
0.11Å---
B 214 GLN53.73-Favored (27.05%)
Pre-Pro / -149.2,148.5
Favored (2.7%) pm20
chi angles: 67.2,281.2,317.4
0.08Å---
B 215 PRO35.75-Favored (90.43%)
Trans-Pro / -63.3,144.0
Favored (25.1%) Cg_exo
chi angles: 340.9,34.6,324.2
0.05Å---
B 216 LEU36.610.47Å
HD21 with B 125 LEU HB3
Favored (56.06%)
General / -58.6,133.7
Favored (6.4%) tp
chi angles: 167.6,77.1
0.10Å---
B 217 ASN44.94-Favored (19.93%)
General / -77.1,118.7
Favored (46%) t0
chi angles: 187.2,315.9
0.03Å---
B 218 THR36.25-Favored (9.82%)
General / -120.9,-2.0
Favored (73.4%) p
chi angles: 61.7
0.10Å---
#AltResHigh BClash > 0.4ÅRamachandranRotamerCβ deviationBond lengthsBond anglesCis Peptides
Avg: 37.75Clashscore: 1.74Outliers: 6 of 934Poor rotamers: 25 of 855Outliers: 2 of 892Outliers: 9 of 966Outliers: 14 of 966Non-Trans: 0 of 947
B 219 THR28.17-Favored (17.59%)
General / -95.7,-22.4
Favored (30.2%) p
chi angles: 53.2
0.04Å---
B 220 ARG64.95-Favored (31.97%)
General / -68.8,127.1
Favored (29.8%) ttp-110
chi angles: 173.5,175.5,57.2,240.5
0.01Å---
B 221 ILE48.3-Favored (41.38%)
Ile or Val / -134.8,160.1
Allowed (0.5%) pt
chi angles: 49.4,142.4
0.11Å---
B 222 ASN44.790.51Å
O with B 225 GLU HG2
Favored (38.59%)
General / -77.1,135.2
Favored (25.4%) t0
chi angles: 180.8,281.5
0.07Å---
B 223 ALA34.03-Favored (15.99%)
General / -48.4,-37.0
-0.04Å---
B 224 ALA43.23-Favored (67.01%)
General / -64.2,-22.6
-0.07Å---
B 225 GLU75.30.51Å
HG2 with B 222 ASN O
Favored (15.02%)
General / -98.2,19.0
Favored (2.5%) pt0
chi angles: 67,207.1,30.6
0.14Å---
B 226 ILE42.4-Favored (92.67%)
Ile or Val / -60.2,-47.3
Favored (10.3%) tp
chi angles: 188.9,66
0.15Å---
B 227 GLU72.24-Favored (84.67%)
General / -58.0,-46.8
Favored (8%) tt0
chi angles: 194.1,194.4,277.4
0.05Å---
B 228 SER52.72-Favored (98.38%)
General / -61.2,-43.8
Favored (27.4%) t
chi angles: 172
0.03Å---
B 229 ARG48.11-Favored (85.87%)
General / -67.3,-39.7
Favored (19.1%) tpp80
chi angles: 183.2,52.2,62.5,94.6
0.12Å---
B 230 VAL31.16-Favored (92.64%)
Ile or Val / -62.2,-41.8
Favored (74.7%) t
chi angles: 172.6
0.16Å---
B 231 ARG80.75-Favored (96.32%)
General / -64.2,-42.9
Favored (9.5%) ttm110
chi angles: 213.3,186.2,299.4,110.8
0.04Å---
B 232 GLU85.38-Favored (87%)
General / -62.1,-46.9
Favored (43.8%) tt0
chi angles: 180.4,182,312.8
0.05Å---
B 233 LEU31.09-Favored (61.89%)
General / -71.7,-20.4
Favored (96.9%) mt
chi angles: 292.1,172
0.04Å---
B 234 SER45.13-Favored (55.85%)
General / -85.3,-10.9
Favored (62.3%) m
chi angles: 298.3
0.02Å---
B 235 LYS91.93--Favored (23.8%) mttp
chi angles: 280.9,167.4,162.1,69.9
0.02Å---
B 245 GLN78.97--Favored (23.1%) mt0
chi angles: 281.3,158.6,294.3
0.02Å---
B 246 GLY33.66-Favored (86.94%)
Glycine / -63.7,-33.3
-----
B 247 PHE33.14-Favored (89.52%)
General / -62.2,-46.3
Favored (24.2%) m-80
chi angles: 278.1,293.2
0.05Å---
#AltResHigh BClash > 0.4ÅRamachandranRotamerCβ deviationBond lengthsBond anglesCis Peptides
Avg: 37.75Clashscore: 1.74Outliers: 6 of 934Poor rotamers: 25 of 855Outliers: 2 of 892Outliers: 9 of 966Outliers: 14 of 966Non-Trans: 0 of 947
B 248 TRP39.55-Favored (81.39%)
General / -58.4,-48.2
Favored (22.8%) t60
chi angles: 197.6,88.5
0.03Å---
B 249 GLU73.770.49Å
OE2 with B 601 5OD H13
Favored (95.15%)
General / -62.0,-45.1
Favored (22.9%) tt0
chi angles: 197.9,171.7,319.3
0.07Å---
B 250 GLU30.42-Favored (86.29%)
General / -67.0,-41.6
Favored (28.2%) tt0
chi angles: 189,178.4,282.1
0.06Å---
B 251 PHE23.32-Favored (76.18%)
General / -65.5,-47.3
Favored (75.2%) t80
chi angles: 180.4,70.2
0.02Å---
B 252 GLU44.58-Favored (68.66%)
General / -64.4,-26.9
Favored (52.1%) mm-30
chi angles: 287.5,306.6,327.6
0.16Å---
B 253 THR21.82-Favored (76.26%)
General / -69.9,-38.7
Favored (91.9%) m
chi angles: 301.1
0.07Å---
B 254 LEU19.93-Favored (87.04%)
General / -66.1,-43.5
Favored (49.9%) tp
chi angles: 172.2,63.6
0.03Å---
B 255 GLN27.56-Favored (74.91%)
General / -57.9,-37.9
Favored (14.4%) mm110
chi angles: 299.7,298,81.5
0.04Å---
B 256 GLN50.73-Favored (64.32%)
General / -58.9,-26.6
Allowed (0.9%) tt0
chi angles: 168.4,160.6,146.5
0.06Å---
B 257 GLN30.55-Favored (59.02%)
General / -87.4,-3.0
Favored (96%) mm-40
chi angles: 296.9,296.3,304.9
0.07Å---
B 258 GLU36.75-Favored (66.06%)
General / -65.6,-19.8
Favored (10.2%) pt0
chi angles: 80.2,190.3,5.9
0.11Å---
B 259 ACYS30.3-Favored (62.07%)
General / -69.5,-12.9
Favored (15.2%) p
chi angles: 55.8
0.07Å---
B 259 BCYS30.3-Favored (62.93%)
General / -67.9,-14.4
Allowed (0.4%) m
chi angles: 262.5
0.12Å---
B 260 LYS47.66-Favored (58.27%)
General / -81.2,-5.9
Favored (29.9%) mttp
chi angles: 274.9,180.3,176.6,56.5
0.08Å---
B 261 LEU23.31-Favored (10.37%)
General / -115.2,26.1
Favored (39.2%) mt
chi angles: 308.3,179.4
0.05Å---
B 262 LEU23.3-Favored (7.39%)
General / -87.0,62.4
Favored (48%) mt
chi angles: 297.9,166
0.12Å---
B 263 TYR33.3-Favored (29.16%)
General / -78.1,158.5
Favored (31.6%) m-80
chi angles: 307.2,303
0.07Å---
B 264 SER31.88-Favored (53.82%)
General / -63.1,146.2
Favored (84%) p
chi angles: 67.5
0.05Å---
B 265 ARG54.63-Favored (2.03%)
General / -139.0,44.2
OUTLIER (0.2%)
chi angles: 300.9,123.9,68.9,253.5
0.06Å---
B 266 LYS73.61-Favored (93.21%)
General / -63.8,-39.0
Favored (2.2%) mptt
chi angles: 270.7,93.6,181.5,157.9
0.07Å---
#AltResHigh BClash > 0.4ÅRamachandranRotamerCβ deviationBond lengthsBond anglesCis Peptides
Avg: 37.75Clashscore: 1.74Outliers: 6 of 934Poor rotamers: 25 of 855Outliers: 2 of 892Outliers: 9 of 966Outliers: 14 of 966Non-Trans: 0 of 947
B 267 GLU45.91-Favored (92.41%)
General / -61.3,-40.0
Favored (76.2%) mm-30
chi angles: 297.7,294.4,320.3
0.14Å---
B 268 GLY21.94-Favored (72.25%)
Glycine / -67.8,-20.3
-----
B 269 GLN54.32-Favored (38.97%)
General / -88.1,-14.4
Favored (83.9%) mt0
chi angles: 287.7,170.4,311.7
0.04Å---
B 270 ARG62.09-Favored (47.43%)
General / -54.8,135.5
Favored (85.1%) mtp180
chi angles: 294,174.8,74.2,184.3
0.11Å---
B 271 GLN47.890.44Å
HA with B 274 LYS HE3
Favored (7.52%)
General / -43.7,-50.8
Favored (59.9%) tp40
chi angles: 174.7,57.3,45.6
0.04Å---
B 272 GLU63.99-Favored (51.79%)
General / -61.5,-16.9
Favored (32.9%) mp0
chi angles: 298.9,94.1,1.1
0.05Å---
B 273 ASN23.93-Favored (16.71%)
General / -107.0,-8.1
Favored (92.7%) m-40
chi angles: 293.2,328.6
0.04Å---
B 274 LYS55.010.44Å
HE3 with B 271 GLN HA
Favored (56.65%)
General / -52.4,-51.9
Favored (32%) mttt
chi angles: 291.4,186.6,206.7,164.8
0.11Å---
B 275 ASN63.54-Favored (7.22%)
General / -72.7,2.1
OUTLIER (0%)
chi angles: 82.6,150.9
0.15Å- OUTLIER(S)
worst is CA-CB-CG: 5.3 σ
-
B 276 LYS28.21-Favored (48.08%)
General / -96.8,-0.4
Favored (70.7%) mttt
chi angles: 295.6,171.1,196.3,172
0.04Å---
B 277 ASN19.91-Favored (54.38%)
General / -107.4,131.3
Favored (80.2%) m-40
chi angles: 301.4,314.8
0.06Å---
B 278 ARG31.95-Favored (93%)
General / -65.3,-39.9
Favored (39.8%) ttm-80
chi angles: 187.6,167.6,276.1,273.6
0.06Å---
B 279 TYR33.9-Favored (33.51%)
General / -125.2,121.2
Favored (51.2%) m-80
chi angles: 307.4,277.8
0.07Å---
B 280 LYS57.49-Favored (8.18%)
General / -46.1,-38.5
Allowed (0.8%) tttm
chi angles: 189,176,124,280.1
0.02Å---
B 281 ASN39.55-Favored (31.97%)
General / -104.9,4.3
Favored (37.4%) m110
chi angles: 302.3,129.7
0.05Å---
B 282 ILE19.67-Favored (9%)
Ile or Val / -101.8,99.7
Favored (62.8%) mt
chi angles: 298.7,178.2
0.10Å---
B 283 LEU22.4-Favored (60.31%)
Pre-Pro / -124.2,158.6
Favored (25.1%) mt
chi angles: 303.9,167.1
0.04Å---
B 284 PRO18.84-Favored (9.42%)
Trans-Pro / -84.4,142.3
Favored (69.3%) Cg_endo
chi angles: 29.5,327.7,22.5
0.07Å---
B 285 PHE20.37-Favored (58.74%)
General / -62.7,140.8
Favored (30.1%) m-80
chi angles: 296.6,310
0.07Å---
B 286 ASP26.04-Favored (80.95%)
General / -58.2,-40.1
Favored (78.6%) m-30
chi angles: 294,326.6
0.03Å---
#AltResHigh BClash > 0.4ÅRamachandranRotamerCβ deviationBond lengthsBond anglesCis Peptides
Avg: 37.75Clashscore: 1.74Outliers: 6 of 934Poor rotamers: 25 of 855Outliers: 2 of 892Outliers: 9 of 966Outliers: 14 of 966Non-Trans: 0 of 947
B 287 HIS24.76-Favored (61.61%)
General / -72.8,-15.5
Favored (26.7%) p-80
chi angles: 77.2,288.8
0.16Å---
B 288 THR23.49-Favored (7.04%)
General / -126.2,-0.6
Favored (45.6%) p
chi angles: 55.4
0.01Å---
B 289 ARG28.47-Favored (38.04%)
General / -62.2,150.8
Favored (19.5%) ptt90
chi angles: 71,176.9,187.7,107.2
0.05Å---
B 290 VAL23.20.42Å
HG11 with B 344 MET HG3
Favored (25.64%)
Ile or Val / -77.6,119.1
Favored (84.1%) t
chi angles: 173.5
0.03Å---
B 291 VAL21.96-Favored (48.83%)
Ile or Val / -96.2,124.2
Favored (49%) t
chi angles: 181.7
0.07Å---
B 292 LEU23.47-Favored (29.87%)
General / -90.3,118.6
Favored (80.8%) mt
chi angles: 298.5,180.7
0.03Å---
B 293 HIS43.22--Favored (50.1%) m-70
chi angles: 314.8,296.6
0.04Å---
B 301 VAL39.38--Favored (99.2%) t
chi angles: 175.4
0.07Å---
B 302 SER38.17-Favored (7.96%)
General / -125.3,9.9
Favored (68.8%) p
chi angles: 58.8
0.06Å---
B 303 ASP31.71-Favored (47.63%)
General / -98.8,4.7
Favored (12.5%) p0
chi angles: 77.8,351
0.03Å---
B 304 TYR20.06-Favored (48.6%)
General / -108.3,136.0
Favored (77.1%) t80
chi angles: 184.2,82.8
0.03Å---
B 305 ILE18.24-Favored (18.24%)
Ile or Val / -147.7,146.3
Favored (20.6%) tt
chi angles: 188,163.9
0.15Å---
B 306 ASN22.68-Favored (6.87%)
General / -82.9,86.9
Favored (37.7%) t0
chi angles: 193.3,318.7
0.03Å---
B 307 ALA15.89-Favored (17.4%)
General / -159.9,148.7
-0.14Å---
B 308 ASN18.81-Favored (51.23%)
General / -133.8,147.2
Favored (19.1%) m110
chi angles: 295.7,91
0.10Å---
B 309 ILE29.860.42Å
HD13 with B 328 ILE HG12
Favored (28.98%)
Ile or Val / -78.9,133.9
Favored (17.4%) mm
chi angles: 296.2,287.9
0.10Å---
B 310 ILE21.23-Favored (23.33%)
Ile or Val / -114.8,107.6
Favored (16.3%) mm
chi angles: 311.6,294.2
0.06Å---
B 311 MET41.33-Favored (61.05%)
Pre-Pro / -106.8,115.0
Allowed (1%) mmm
chi angles: 242.9,307.2,295.6
0.09Å---
B 312 PRO35.95--Favored (10.3%) Cg_exo
chi angles: 346.7,32.1,322.6
0.03Å---
B 325 LYS31.36--Favored (3%) ttmt
chi angles: 188.4,194.2,278.5,147.1
0.11Å---
#AltResHigh BClash > 0.4ÅRamachandranRotamerCβ deviationBond lengthsBond anglesCis Peptides
Avg: 37.75Clashscore: 1.74Outliers: 6 of 934Poor rotamers: 25 of 855Outliers: 2 of 892Outliers: 9 of 966Outliers: 14 of 966Non-Trans: 0 of 947
B 326 SER25.85-Favored (9.99%)
General / -122.3,170.4
Favored (89.2%) p
chi angles: 62.9
0.06Å---
B 327 TYR21.6-Favored (29.08%)
General / -134.2,163.7
Favored (12.9%) m-80
chi angles: 311.6,82.1
0.15Å---
B 328 ILE21.240.42Å
HG12 with B 309 ILE HD13
Favored (58.19%)
Ile or Val / -121.0,119.0
Favored (55%) mt
chi angles: 288.1,161.1
0.07Å---
B 329 ALA17.83-Favored (43.8%)
General / -98.9,124.4
-0.11Å---
B 330 THR20.01-Favored (23.21%)
General / -142.4,167.0
Favored (9.4%) t
chi angles: 192.1
0.15Å---
B 331 GLN20.35-Favored (13.81%)
General / -83.4,171.1
Favored (19.6%) pt0
chi angles: 65,176.1,20.1
0.15Å---
B 332 GLY20.14-Favored (26.12%)
Glycine / -72.2,138.1
-----
B 333 CYS26.19-Favored (11.79%)
General / -52.2,144.9
Favored (44%) m
chi angles: 284.1
0.02Å---
B 334 LEU25.75-Favored (14.09%)
General / -104.0,161.3
Favored (82.7%) mt
chi angles: 290,167.4
0.13Å---
B 335 GLN78.12-Favored (53.34%)
General / -50.2,-44.0
Favored (8.4%) pt0
chi angles: 51.6,191.2,266.2
0.13Å---
B 336 ASN31.88-Favored (34.84%)
General / -80.9,0.5
Favored (19.7%) p0
chi angles: 63.2,309.8
0.05Å---
B 337 THR19.77-Favored (12.36%)
General / -117.3,1.0
Favored (15.2%) p
chi angles: 74.6
0.13Å---
B 338 VAL20.77-Favored (83.77%)
Ile or Val / -58.6,-49.1
Favored (85.5%) t
chi angles: 173.7
0.10Å---
B 339 ASN25.17-Favored (88.75%)
General / -60.5,-39.7
Favored (43.2%) m-40
chi angles: 292.8,1.7
0.03Å---
B 340 ASP43.85-Favored (87.11%)
General / -66.2,-38.1
Favored (77.4%) m-30
chi angles: 296.4,328.5
0.01Å---
B 341 PHE17.74-Favored (68.48%)
General / -56.4,-51.4
Favored (82.3%) t80
chi angles: 177.8,85.2
0.05Å---
B 342 TRP17.85-Favored (76.07%)
General / -65.2,-33.5
Favored (89.6%) m100
chi angles: 287.4,109.7
0.14Å---
B 343 ARG27.23-Favored (88.09%)
General / -59.6,-40.7
Favored (49.3%) mtp180
chi angles: 281.6,179.4,64.1,211.3
0.12Å---
B 344 MET19.70.42Å
HG3 with B 290 VAL HG11
Favored (63.05%)
General / -65.8,-50.9
Favored (57.9%) ttp
chi angles: 175.2,182,68.3
0.05Å---
B 345 VAL18-Favored (80.09%)
Ile or Val / -55.9,-46.5
Favored (98.1%) t
chi angles: 175.2
0.10Å---
#AltResHigh BClash > 0.4ÅRamachandranRotamerCβ deviationBond lengthsBond anglesCis Peptides
Avg: 37.75Clashscore: 1.74Outliers: 6 of 934Poor rotamers: 25 of 855Outliers: 2 of 892Outliers: 9 of 966Outliers: 14 of 966Non-Trans: 0 of 947
B 346 PHE26.56-Favored (27.37%)
General / -63.7,-55.0
Favored (64.7%) t80
chi angles: 187.1,84.5
0.07Å---
B 347 GLN30.38-Favored (77.45%)
General / -55.8,-44.0
Favored (35.6%) tt0
chi angles: 177.1,180.1,285
0.04Å---
B 348 GLU31.27-Favored (55.94%)
General / -83.3,-2.5
Favored (83%) mm-30
chi angles: 298.1,301.2,317.1
0.09Å---
B 349 ASN37.82-Favored (15.15%)
General / 63.5,27.4
Favored (50.4%) t0
chi angles: 200.7,29.1
0.10Å---
B 350 SER18.47-Favored (52.21%)
General / -68.0,135.3
Favored (52.8%) m
chi angles: 300.6
0.02Å---
B 351 ARG35.37-Favored (11.22%)
General / -117.5,-5.7
Favored (29.7%) mmt90
chi angles: 307.2,302.9,185.3,83.7
0.03Å---
B 352 VAL18.49-Favored (39.83%)
Ile or Val / -138.2,130.7
Favored (85.5%) t
chi angles: 177.2
0.06Å---
B 353 ILE18.21-Favored (58.86%)
Ile or Val / -120.7,136.1
Favored (91.5%) mt
chi angles: 296.5,167.2
0.08Å---
B 354 VAL18.9-Favored (34.22%)
Ile or Val / -114.9,111.0
Favored (86.2%) t
chi angles: 173.8
0.10Å---
B 355 MET21.490.42Å
HG3 with B 458 HIS CE1
Favored (45.46%)
General / -105.6,122.2
Favored (23.9%) ttt
chi angles: 173.2,168.3,179
0.08Å---
B 356 THR30.14-Favored (9.45%)
General / -112.1,27.7
Favored (59.9%) p
chi angles: 64.1
0.08Å---
B 357 THR31.1-Favored (44.09%)
General / -143.7,155.0
Favored (7.1%) t
chi angles: 182.7
0.09Å---
B 358 LYS32.29-Favored (23.53%)
General / -79.4,165.0
Favored (41%) mttp
chi angles: 294,181.3,176.3,80.8
0.11Å---
B 359 GLU35.95-Favored (80.41%)
General / -63.0,-35.5
Favored (30.5%) mt-10
chi angles: 288.4,170.8,58.3
0.11Å---
B 360 VAL30.24-Favored (66.03%)
Ile or Val / -129.8,129.2
Favored (58.9%) t
chi angles: 180.1
0.06Å---
B 361 GLU43.95-Favored (34.96%)
General / -135.6,130.8
Favored (41.1%) mt-10
chi angles: 277.9,170,17.6
0.04Å---
B 362 ARG69.33-Favored (32.06%)
General / 54.1,40.9
Allowed (1.8%) mtm180
chi angles: 314.4,239.4,295.5,168.3
0.06Å---
B 363 GLY40.13-Favored (53.82%)
Glycine / 66.6,10.3
-----
B 364 LYS77.93-Favored (50.9%)
General / -110.8,135.8
OUTLIER (0.1%)
chi angles: 250.2,116.2,144.8,67.1
0.02Å---
B 365 SER40.16-Favored (19.58%)
General / -71.9,121.8
Favored (12.1%) t
chi angles: 189.2
0.06Å---
#AltResHigh BClash > 0.4ÅRamachandranRotamerCβ deviationBond lengthsBond anglesCis Peptides
Avg: 37.75Clashscore: 1.74Outliers: 6 of 934Poor rotamers: 25 of 855Outliers: 2 of 892Outliers: 9 of 966Outliers: 14 of 966Non-Trans: 0 of 947
B 366 LYS36.42-Favored (12.98%)
General / -105.9,-22.2
Favored (70.2%) mmtt
chi angles: 302.3,293.3,176,181.3
0.05Å---
B 367 CYS26.14-Favored (3.37%)
General / -163.9,131.4
Favored (58.7%) t
chi angles: 182.5
0.02Å---
B 368 VAL30.55-Favored (8.1%)
Ile or Val / -76.9,146.8
Favored (14.1%) t
chi angles: 163.2
0.13Å---
B 369 LYS39.79-Favored (3.65%)
General / -68.5,109.3
Favored (34.8%) tttm
chi angles: 176.2,163.5,178.5,285.6
0.05Å---
B 370 TYR20.99-Favored (36.59%)
General / -104.0,7.5
Favored (46.6%) p90
chi angles: 58,85.6
0.08Å---
B 371 TRP21.2-Favored (61.78%)
Pre-Pro / -122.1,154.8
Favored (54.6%) p90
chi angles: 61.5,91.6
0.03Å---
B 372 PRO25.13-Favored (30.8%)
Trans-Pro / -76.7,164.0
Favored (7.3%) Cg_exo
chi angles: 349,27.6,327.3
0.14Å---
B 373 ASP42.28-Favored (20.57%)
General / -63.4,158.5
Favored (92.6%) m-30
chi angles: 293,343.8
0.08Å---
B 374 GLU33.56-Favored (38.01%)
General / -52.9,133.4
Favored (41.9%) tt0
chi angles: 191.8,177.6,28.8
0.02Å---
B 375 TYR33.39-Favored (3.1%)
General / 71.3,-0.5
Favored (16.5%) m-80
chi angles: 312.5,304.7
0.12Å---
B 376 ALA22.83-Favored (14.47%)
General / -92.5,161.8
-0.03Å---
B 377 LEU28.31-Favored (51.68%)
General / -125.7,135.0
Favored (24.8%) tp
chi angles: 189,65.4
0.15Å---
B 378 LYS60.72-Favored (47.67%)
General / -136.7,149.1
Favored (9.5%) mttm
chi angles: 273.3,197.2,160.1,284.7
0.05Å---
B 379 GLU28.07-Favored (52.5%)
General / -105.0,126.8
Favored (88.4%) mt-10
chi angles: 286.1,180.5,5.2
0.01Å---
B 380 TYR22.71-Favored (3.03%)
General / -112.6,89.3
Favored (81.5%) m-80
chi angles: 301.2,284
0.07Å---
B 381 GLY22.61-Favored (29.91%)
Glycine / 64.8,-125.0
-----
B 382 VAL28.010.41Å
HG23 with B 383 MET HE2
Favored (10.57%)
Ile or Val / -83.0,-7.0
Favored (10.2%) m
chi angles: 306.8
0.07Å---
B 383 MET27.040.41Å
HE2 with B 382 VAL HG23
Favored (48.51%)
General / -102.0,130.4
Favored (20.5%) mmt
chi angles: 296.5,303.7,159
0.03Å---
B 384 ARG30.14-Favored (54.03%)
General / -106.1,130.2
Favored (27%) ttm170
chi angles: 184,174.6,282.5,144.4
0.10Å---
B 385 VAL18.34-Favored (67.26%)
Ile or Val / -128.7,128.0
Favored (44.1%) t
chi angles: 182.6
0.07Å---
#AltResHigh BClash > 0.4ÅRamachandranRotamerCβ deviationBond lengthsBond anglesCis Peptides
Avg: 37.75Clashscore: 1.74Outliers: 6 of 934Poor rotamers: 25 of 855Outliers: 2 of 892Outliers: 9 of 966Outliers: 14 of 966Non-Trans: 0 of 947
B 386 ARG44.59-Favored (54.2%)
General / -110.8,132.4
Allowed (0.4%) tpp-160
chi angles: 151.6,107.6,47.9,210.4
0.17Å---
B 387 ASN22.82-Favored (16.09%)
General / -94.0,104.0
Favored (43.3%) t0
chi angles: 179.9,338.7
0.03Å---
B 388 VAL26.64-Favored (70.7%)
Ile or Val / -69.6,-47.6
Favored (93.4%) t
chi angles: 174.6
0.07Å---
B 389 LYS37.73-Favored (4.72%)
General / -167.7,146.1
Favored (12.6%) tptp
chi angles: 188.3,70,192,76
0.12Å---
B 390 GLU34.56-Favored (45.42%)
General / -114.5,143.2
Favored (64.5%) mt-10
chi angles: 291.1,194.4,0
0.05Å---
B 391 SER32.85-Favored (16.6%)
General / -133.6,117.0
Favored (64.8%) m
chi angles: 297.3
0.07Å---
B 392 ALA29.98-Favored (39.76%)
General / -101.9,137.7
-0.04Å---
B 393 ALA24.38-Favored (8.32%)
General / -124.1,173.4
-0.06Å---
B 394 HIS27-Favored (81.69%)
General / -61.0,-48.5
Favored (86.2%) t70
chi angles: 175.1,68.2
0.04Å---
B 395 ASP38.61-Favored (37.49%)
General / -82.2,-20.7
Favored (54.7%) m-30
chi angles: 292.2,306.9
0.03Å---
B 396 TYR26.69-Favored (37.37%)
General / -158.6,162.5
Favored (46.2%) p90
chi angles: 70.3,271.5
0.05Å---
B 397 THR23.18-Favored (50.32%)
General / -114.4,138.6
Favored (84%) m
chi angles: 301.9
0.07Å---
B 398 LEU25.43-Favored (54.38%)
General / -106.5,129.9
Favored (29.9%) tp
chi angles: 170.6,58.3
0.04Å---
B 399 ARG30.35-Favored (28.55%)
General / -117.1,117.0
Favored (66.4%) mtt90
chi angles: 304.3,193.3,178,93.5
0.08Å---
B 400 GLU31.48-Favored (20.05%)
General / -86.3,111.0
Favored (69.4%) tt0
chi angles: 172.7,175.8,354.8
0.02Å---
B 401 LEU26.09-Favored (40.47%)
General / -112.7,145.5
Favored (20.1%) mt
chi angles: 310.5,172.6
0.05Å---
B 402 LYS86.68-Favored (48.16%)
General / -113.5,122.7
Favored (50%) mttt
chi angles: 270.2,175.3,179.8,182.4
0.09Å---
B 403 LEU19.49-Favored (53.01%)
General / -112.4,135.5
Favored (9.9%) tp
chi angles: 163.9,70
0.06Å---
B 404 SER25.64-Favored (35.39%)
General / -151.6,165.1
Favored (69.1%) p
chi angles: 58.8
0.03Å---
B 405 LYS71.66-Favored (34.87%)
General / -90.8,133.9
Favored (8.2%) tttp
chi angles: 183.5,149.2,156.9,73.3
0.06Å---
#AltResHigh BClash > 0.4ÅRamachandranRotamerCβ deviationBond lengthsBond anglesCis Peptides
Avg: 37.75Clashscore: 1.74Outliers: 6 of 934Poor rotamers: 25 of 855Outliers: 2 of 892Outliers: 9 of 966Outliers: 14 of 966Non-Trans: 0 of 947
B 406 VAL28.69-Favored (24.7%)
Ile or Val / -60.0,131.4
Favored (5.5%) t
chi angles: 160.7
0.17Å---
B 407 GLY36.26-Favored (89.9%)
Glycine / 82.7,4.8
-----
B 408 GLN66.39-Allowed (1.8%)
General / -136.3,80.0
Favored (41%) mt0
chi angles: 298.7,198,30.1
0.04Å---
B 409 GLY40.86-Favored (42.15%)
Glycine / -50.7,-41.2
-----
B 410 ASN58.44-Allowed (0.54%)
General / -61.2,-1.7
Favored (17.7%) p0
chi angles: 65.7,310.1
0.09Å---
B 411 THR28.95-Favored (24.05%)
General / -102.3,-5.6
Favored (55.4%) p
chi angles: 64.9
0.02Å---
B 412 GLU60.76-Favored (58%)
General / -60.4,138.4
Favored (4.5%) tt0
chi angles: 197,197.8,276.3
0.05Å---
B 413 ARG31.44-Favored (29.59%)
General / -148.8,148.2
Allowed (1.2%) pmm-80
chi angles: 80,291.5,311.9,282.8
0.08Å---
B 414 THR24.93-Favored (36.54%)
General / -80.3,137.1
Favored (61.5%) m
chi angles: 303.5
0.07Å---
B 415 VAL19.24-Favored (65.91%)
Ile or Val / -120.0,121.4
Favored (86.3%) t
chi angles: 176.2
0.07Å---
B 416 TRP21.54-Favored (24.97%)
General / -98.4,113.1
Favored (76%) m100
chi angles: 300.9,89.9
0.07Å---
B 417 GLN25.13-Favored (25.43%)
General / -99.5,113.2
Favored (6%) tt0
chi angles: 185.9,211.5,33.8
0.04Å---
B 418 TYR22.550.41Å
HB3 with B 438 PHE CE1
Favored (22.16%)
General / -98.1,109.4
Favored (62%) m-80
chi angles: 285,270.6
0.05Å---
B 419 HIS21.32-Favored (9.61%)
General / -104.3,99.9
Favored (18.8%) t-170
chi angles: 185,181
0.09Å---
B 420 PHE22.6-Favored (27.97%)
General / -72.5,125.7
Favored (15%) t80
chi angles: 200.6,80.2
0.03Å---
B 421 ARG61.65-Favored (10.88%)
General / -118.2,-6.0
Favored (42.6%) mtm110
chi angles: 288.1,182.4,290.1,95.2
0.01Å---
B 422 THR27.65-Favored (40.86%)
General / -101.2,3.3
Favored (59.3%) p
chi angles: 57.3
0.12Å---
B 423 TRP25.2-Favored (93.31%)
Pre-Pro / -61.7,132.9
Favored (24.5%) t-100
chi angles: 191.2,278.2
0.02Å---
B 424 PRO30.84-Favored (75.84%)
Trans-Pro / -67.8,153.3
Favored (73.6%) Cg_endo
chi angles: 27.6,323.6,30.1
0.06Å---
B 425 ASP45.26-Favored (64.68%)
General / -52.0,-45.8
Favored (65.3%) m-30
chi angles: 288.4,323.7
0.08Å---
#AltResHigh BClash > 0.4ÅRamachandranRotamerCβ deviationBond lengthsBond anglesCis Peptides
Avg: 37.75Clashscore: 1.74Outliers: 6 of 934Poor rotamers: 25 of 855Outliers: 2 of 892Outliers: 9 of 966Outliers: 14 of 966Non-Trans: 0 of 947
B 426 HIS48.47-Favored (50.7%)
General / -128.3,149.0
Favored (2.5%) m-70
chi angles: 287.6,353.9
0.04Å---
B 427 GLY33.15-Favored (35.32%)
Glycine / 80.4,-153.5
-----
B 428 VAL23.71-Favored (26.79%)
Pre-Pro / -129.0,166.2
Favored (30.4%) m
chi angles: 298
0.05Å---
B 429 PRO28.1-Favored (97.74%)
Trans-Pro / -59.4,141.6
Favored (88.1%) Cg_exo
chi angles: 330.1,41.6,323
0.09Å---
B 430 SER39.39-Favored (63.23%)
General / -70.2,-25.1
Favored (89.8%) p
chi angles: 68.9
0.04Å---
B 431 ASP46.84-Favored (24.25%)
Pre-Pro / -127.8,132.3
Favored (52.1%) t0
chi angles: 187.3,331.5
0.10Å- OUTLIER(S)
worst is CA-CB-CG: 5.3 σ
-
B 432 PRO30.31-Favored (6.81%)
Trans-Pro / -88.0,-5.3
Favored (75.5%) Cg_endo
chi angles: 30,331.6,14.9
0.03Å---
B 433 GLY27.17-Favored (18.96%)
Glycine / -46.9,-47.6
-----
B 434 GLY23.27-Favored (59.87%)
Glycine / -59.5,-51.3
-----
B 435 VAL20.85-Favored (93.08%)
Ile or Val / -60.2,-43.3
Favored (24.4%) t
chi angles: 164.9
0.08Å---
B 436 LEU24.5-Favored (93.23%)
General / -65.4,-41.8
Favored (88%) mt
chi angles: 291.1,169.4
0.08Å---
B 437 ASP38.75-Favored (77.91%)
General / -67.2,-34.6
Favored (63.8%) m-30
chi angles: 292.1,358.2
0.06Å---
B 438 PHE21.720.41Å
CE1 with B 418 TYR HB3
Favored (28.39%)
General / -63.0,-55.1
Favored (88.5%) t80
chi angles: 173.8,77.9
0.06Å---
B 439 LEU24.8-Favored (73.96%)
General / -58.2,-37.0
Favored (39.8%) mt
chi angles: 286.5,177
0.10Å---
B 440 GLU48.87-Favored (97.3%)
General / -61.7,-44.3
Favored (19.3%) tp30
chi angles: 201.6,67.5,16.5
0.02Å---
B 441 GLU45.93-Favored (79.36%)
General / -64.7,-47.2
Favored (66.6%) tp30
chi angles: 179.1,58.4,24.7
0.04Å---
B 442 VAL23.3-Favored (81.33%)
Ile or Val / -56.6,-44.6
Favored (55.7%) t
chi angles: 170.2
0.06Å---
B 443 HIS24.05-Favored (81.15%)
General / -59.4,-48.6
Favored (89.5%) t70
chi angles: 176.4,75
0.06Å---
B 444 HIS33.64-Favored (85.62%)
General / -64.2,-36.9
Favored (67.6%) m90
chi angles: 286.7,85.9
0.15Å---
B 445 LYS22.42-Favored (64.27%)
General / -59.1,-52.8
Favored (17.5%) tppt
chi angles: 182.2,62,71.3,170.5
0.04Å---
#AltResHigh BClash > 0.4ÅRamachandranRotamerCβ deviationBond lengthsBond anglesCis Peptides
Avg: 37.75Clashscore: 1.74Outliers: 6 of 934Poor rotamers: 25 of 855Outliers: 2 of 892Outliers: 9 of 966Outliers: 14 of 966Non-Trans: 0 of 947
B 446 GLN23.05-Favored (87.6%)
General / -58.9,-46.5
Favored (25.8%) tp40
chi angles: 176.2,74.7,3
0.05Å---
B 447 GLU38.5-Favored (75.72%)
General / -60.8,-35.1
Favored (87.3%) tt0
chi angles: 188.1,179.2,6.8
0.06Å---
B 448 SER25.94-Favored (60.36%)
General / -72.6,-10.9
Favored (9.1%) p
chi angles: 82.7
0.06Å---
B 449 ILE25.15-Favored (26.07%)
Ile or Val / -106.9,108.8
Favored (17.2%) mt
chi angles: 306.7,158
0.15Å---
B 450 MET52.08-Favored (49.1%)
General / -59.0,130.9
Favored (3.9%) tpt
chi angles: 205.1,72.2,166.4
0.03Å---
B 451 ASP62.29-Favored (12.2%)
General / 57.5,26.0
Favored (42.4%) m-30
chi angles: 292.7,295.7
0.12Å---
B 452 ALA22.42-Favored (56.04%)
General / -59.5,140.6
-0.04Å---
B 453 GLY20.29-Favored (24.43%)
Glycine / -78.5,-163.9
-----
B 454 PRO24.84-Favored (90.38%)
Trans-Pro / -62.2,149.5
Allowed (1.7%) Cg_exo
chi angles: 357.7,12.3,342.8
0.07Å---
B 455 VAL17.05-Favored (37.13%)
Ile or Val / -80.0,123.7
Favored (65.3%) t
chi angles: 171.5
0.04Å---
B 456 VAL17.11-Favored (33.38%)
Ile or Val / -79.6,131.8
Favored (94.8%) t
chi angles: 174.8
0.07Å---
B 457 VAL18.71-Favored (61.38%)
Ile or Val / -131.6,129.0
Favored (20.4%) t
chi angles: 186.9
0.08Å---
B 458 HIS18.860.42Å
CE1 with B 355 MET HG3
Favored (41.04%)
General / -146.2,153.8
Favored (27.4%) p90
chi angles: 71.7,79.4
0.05Å---
B 459 CYS24.56-Allowed (0.26%)
General / -127.4,-117.6
Favored (3.1%) p
chi angles: 47.2
0.08Å---
B 460 SER26.17-Allowed (0.53%)
General / -98.1,-76.4
Favored (61.2%) p
chi angles: 57.9
0.02Å---
B 461 ALA18.66-Favored (47.48%)
General / -80.0,-19.6
-0.03Å---
B 462 GLY16.09-Favored (54.09%)
Glycine / 74.4,34.6
-----
B 463 ILE20.4-Allowed (0.52%)
Ile or Val / -133.2,-40.6
Favored (42.9%) pt
chi angles: 61.9,174.7
0.14Å---
B 464 GLY16.81-Allowed (0.76%)
Glycine / -76.2,-77.3
-----
B 465 ARG30.38-Favored (99.93%)
General / -62.9,-42.9
Favored (64.2%) mtt180
chi angles: 288.8,182.1,200.3,179.4
0.05Å---
#AltResHigh BClash > 0.4ÅRamachandranRotamerCβ deviationBond lengthsBond anglesCis Peptides
Avg: 37.75Clashscore: 1.74Outliers: 6 of 934Poor rotamers: 25 of 855Outliers: 2 of 892Outliers: 9 of 966Outliers: 14 of 966Non-Trans: 0 of 947
B 466 THR18.19-Favored (81.19%)
General / -57.2,-47.5
Favored (27.2%) m
chi angles: 292
0.07Å---
B 467 GLY16.21-Favored (97.28%)
Glycine / -62.3,-39.1
-----
B 468 THR18.43-Favored (62.55%)
General / -66.0,-50.9
Favored (61.8%) m
chi angles: 295.6
0.10Å---
B 469 PHE23.65-Favored (86.43%)
General / -58.8,-46.9
Favored (20.6%) m-80
chi angles: 275.5,73.3
0.04Å---
B 470 ILE18.79-Favored (92.18%)
Ile or Val / -61.0,-47.8
Favored (53.8%) mt
chi angles: 286.4,170
0.12Å---
B 471 VAL18.86-Favored (98.27%)
Ile or Val / -61.7,-44.2
Favored (63.9%) t
chi angles: 171.3
0.15Å---
B 472 ILE19.19-Favored (91.32%)
Ile or Val / -58.8,-45.7
Favored (89%) mt
chi angles: 295.4,173.1
0.08Å---
B 473 ASP24.97-Favored (92.02%)
General / -59.1,-44.6
Favored (12.3%) t70
chi angles: 199.9,57.4
0.03Å---
B 474 ILE21.11-Favored (97.27%)
Ile or Val / -61.1,-46.1
Favored (96.3%) mt
chi angles: 292,167.7
0.06Å---
B 475 LEU23.5-Favored (72.9%)
General / -69.5,-43.5
Favored (61.9%) mt
chi angles: 297.1,167.4
0.05Å---
B 476 ILE30.45-Favored (51.15%)
Ile or Val / -67.1,-30.9
Favored (32.9%) pt
chi angles: 67.8,173.1
0.27Å---
B 477 ASP56.25-Favored (94.16%)
General / -59.9,-44.5
OUTLIER (0.2%)
chi angles: 228.9,304.5
0.06Å---
B 478 ILE32.27-Favored (70.66%)
Ile or Val / -57.5,-51.4
Favored (40.6%) mt
chi angles: 292,156.2
0.12Å---
B 479 ILE35.96-Favored (92.71%)
Ile or Val / -65.4,-42.1
Favored (5.6%) mt
chi angles: 300.2,146.7
0.14Å---
B 480 ARG46.83-Favored (82%)
General / -65.0,-35.7
Favored (11%) ttp-110
chi angles: 190.8,170.4,40.7,232.8
0.04Å---
B 481 GLU78.13-Favored (13.44%)
General / -81.8,-47.0
Favored (35.5%) mm-30
chi angles: 286.5,289.9,293.5
0.04Å---
B 482 LYS98.98-Favored (26.28%)
General / -97.9,-9.5
Favored (79.6%) mttt
chi angles: 289.1,169.1,190.5,176.5
0.07Å---
B 483 GLY47.38-Favored (51.68%)
Glycine / 78.1,-179.4
-----
B 484 VAL51.62-Favored (12.01%)
Ile or Val / -60.4,-16.1
OUTLIER (0.1%)
chi angles: 93
0.13Å---
B 485 ASP66.19-Favored (2.82%)
General / -92.4,56.7
Favored (57.3%) m-30
chi angles: 282.9,332.2
0.07Å---
#AltResHigh BClash > 0.4ÅRamachandranRotamerCβ deviationBond lengthsBond anglesCis Peptides
Avg: 37.75Clashscore: 1.74Outliers: 6 of 934Poor rotamers: 25 of 855Outliers: 2 of 892Outliers: 9 of 966Outliers: 14 of 966Non-Trans: 0 of 947
B 486 CYS40.61-Favored (50.96%)
General / -135.5,155.2
Favored (25.4%) p
chi angles: 68.2
0.03Å---
B 487 ASP45.52-Favored (35.08%)
General / -92.0,134.1
Favored (33.4%) m-30
chi angles: 274.3,358.6
0.06Å---
B 488 ILE44.29-Favored (61.66%)
Ile or Val / -130.5,134.9
OUTLIER (0.2%)
chi angles: 65.6,123.4
0.26Å---
B 489 ASP24.02-Favored (4.74%)
General / -132.1,99.5
Favored (51.8%) t0
chi angles: 190.5,336.8
0.09Å---
B 490 VAL22.61-Favored (29.73%)
Pre-Pro / -58.8,-57.0
Favored (99.2%) t
chi angles: 175.5
0.20Å---
B 491 PRO23.82-Favored (75.5%)
Trans-Pro / -63.1,-31.1
Favored (26.6%) Cg_endo
chi angles: 20.7,330.3,26.4
0.06Å---
B 492 LYS64.64-Favored (83.48%)
General / -64.8,-46.1
Favored (34.6%) tttm
chi angles: 181.3,173.5,176.3,277.6
0.04Å---
B 493 THR21.09-Favored (94.54%)
General / -59.8,-42.9
Favored (99.8%) m
chi angles: 300.5
0.12Å---
B 494 ILE22.62-Favored (91.76%)
Ile or Val / -66.0,-45.1
Favored (72.3%) mt
chi angles: 298.8,176.1
0.13Å---
B 495 GLN23.23-Favored (77.3%)
General / -58.6,-38.1
Favored (19%) tp40
chi angles: 186.9,75,352.3
0.03Å---
B 496 MET30.22-Favored (97.25%)
General / -64.0,-42.6
Favored (19.5%) tmm
chi angles: 179.6,269.4,299
0.07Å OUTLIER(S)
worst is SD--CE: 5.1 σ
--
B 497 VAL20.94-Favored (72.52%)
Ile or Val / -71.5,-41.0
Favored (49.8%) t
chi angles: 169.4
0.13Å---
B 498 ARG23.79-Favored (66.3%)
General / -64.0,-21.0
Favored (97%) mtt180
chi angles: 285.4,180.6,175.1,178.8
0.05Å---
B 499 SER26.65-Favored (52.23%)
General / -76.8,-6.4
Favored (34%) p
chi angles: 76.9
0.03Å---
B 500 GLN23-Favored (11.58%)
General / -113.2,-20.0
Favored (62.5%) mt0
chi angles: 298.2,181,75.9
0.06Å---
B 501 ARG17.93-Favored (14.02%)
General / -155.0,136.3
Favored (45.6%) ttt90
chi angles: 182.3,164.5,170.1,91.2
0.04Å---
B 502 SER21.19-Favored (35.29%)
General / -54.6,129.1
Favored (61.3%) m
chi angles: 298.6
0.09Å---
B 503 GLY20.09-Favored (69.93%)
Glycine / 61.8,28.3
-----
B 504 MET20.24-Favored (16.52%)
General / -61.3,123.0
Favored (54.4%) mmm
chi angles: 293.7,282.3,276.5
0.07Å---
B 505 VAL18.07-OUTLIER (0.04)%)
Ile or Val / 79.3,104.7
Favored (34.1%) t
chi angles: 184.9
0.17Å---
#AltResHigh BClash > 0.4ÅRamachandranRotamerCβ deviationBond lengthsBond anglesCis Peptides
Avg: 37.75Clashscore: 1.74Outliers: 6 of 934Poor rotamers: 25 of 855Outliers: 2 of 892Outliers: 9 of 966Outliers: 14 of 966Non-Trans: 0 of 947
B 506 GLN19.69-Favored (12.3%)
General / -88.5,-42.1
Favored (40.3%) mm-40
chi angles: 281.3,288.1,292.2
0.06Å---
B 507 THR20.12-Favored (24.88%)
General / -125.1,162.3
Favored (49.3%) p
chi angles: 65.8
0.06Å---
B 508 GLU57.39-Favored (73.88%)
General / -62.0,-33.2
Allowed (1.1%) tt0
chi angles: 198.4,218.1,333.8
0.04Å---
B 509 ALA20.95-Favored (96.22%)
General / -63.1,-39.9
-0.05Å---
B 510 GLN23.75-Favored (78.36%)
General / -69.1,-37.2
Favored (73.7%) mt0
chi angles: 294.2,162.5,349.7
0.06Å---
B 511 TYR26.35-Favored (92.23%)
General / -61.0,-46.1
Favored (39.5%) t80
chi angles: 192.7,77.7
0.06Å---
B 512 ARG65.06-Favored (92.83%)
General / -65.0,-39.0
Favored (40.7%) mtt-85
chi angles: 287.6,181.3,185.6,246.8
0.14Å---
B 513 PHE23.2-Favored (95.17%)
General / -60.4,-42.2
Favored (82.2%) t80
chi angles: 182.6,75.8
0.14Å---
B 514 ILE20.82-Favored (78.67%)
Ile or Val / -57.3,-49.8
Favored (79%) mt
chi angles: 292.1,162.3
0.09Å---
B 515 TYR29.19-Favored (87.41%)
General / -60.2,-47.1
Favored (4.7%) m-80
chi angles: 266.1,278.7
0.03Å---
B 516 MET42.27-Favored (86.67%)
General / -57.9,-44.6
Favored (8.3%) ttt
chi angles: 184.5,181.2,206.9
0.03Å---
B 517 ALA25.21-Favored (92.03%)
General / -62.0,-45.8
-0.01Å---
B 518 VAL27.25-Favored (97.3%)
Ile or Val / -62.5,-42.8
Favored (73.1%) t
chi angles: 172.5
0.05Å---
B 519 GLN44.04-Favored (72.53%)
General / -61.2,-50.6
Favored (7.5%) tt0
chi angles: 184.9,184,225.3
0.03Å---
B 520 HIS37.37-Favored (95.91%)
General / -60.5,-44.5
Favored (30%) t-90
chi angles: 187.3,296.4
0.06Å---
B 521 TYR40.44-Favored (86.13%)
General / -58.6,-46.9
Favored (86.2%) t80
chi angles: 181.8,78.7
0.04Å---
B 522 ILE35.59-Favored (91.65%)
Ile or Val / -64.0,-41.2
Favored (31.4%) mt
chi angles: 286.4,158
0.16Å---
B 523 GLU68.46-Favored (55.8%)
General / -52.7,-52.4
OUTLIER (0%)
chi angles: 251.9,130.5,41.4
0.02Å---
B 524 THR51.22-Allowed (1.55%)
General / -80.5,15.8
Favored (59.9%) p
chi angles: 64.1
0.10Å---
B 525 LEU86.68--OUTLIER (0.1%)
chi angles: 235.2,38.3
0.01Å---
#AltResHigh BClash > 0.4ÅRamachandranRotamerCβ deviationBond lengthsBond anglesCis Peptides
Avg: 37.75Clashscore: 1.74Outliers: 6 of 934Poor rotamers: 25 of 855Outliers: 2 of 892Outliers: 9 of 966Outliers: 14 of 966Non-Trans: 0 of 947
A 601 5OD33.110.44Å
H3 with A 249 GLU HG2
------
A 602 PO464.58---- OUTLIER(S)
worst is O2--P: 4.5 σ
--
A 603 PO451.88---- OUTLIER(S)
worst is O1--P: 4.6 σ
--
A 604 PO467.79---- OUTLIER(S)
worst is O2--P: 4.6 σ
--
B 601 5OD32.710.54Å
CL1 with B 111 AARG HD3
------
B 602 PO443.18---- OUTLIER(S)
worst is O2--P: 4.5 σ
--
B 603 PO472.78---- OUTLIER(S)
worst is O4--P: 4.5 σ
--
B 604 PO460.55---- OUTLIER(S)
worst is O4--P: 4.6 σ
--
A 701 HOH19.03-------
A 702 HOH29.18-------
A 703 HOH27.22-------
A 704 HOH24.92-------
A 705 HOH24.39-------
A 706 HOH27.65-------
A 707 HOH21.27-------
A 708 HOH42.69-------
A 709 HOH33.58-------
A 710 HOH17.62-------
A 711 HOH27.31-------
A 712 HOH30.39-------
#AltResHigh BClash > 0.4ÅRamachandranRotamerCβ deviationBond lengthsBond anglesCis Peptides
Avg: 37.75Clashscore: 1.74Outliers: 6 of 934Poor rotamers: 25 of 855Outliers: 2 of 892Outliers: 9 of 966Outliers: 14 of 966Non-Trans: 0 of 947
A 713 HOH33.6-------
A 714 HOH39.57-------
A 715 HOH30.01-------
A 716 HOH47.08-------
A 717 HOH29.69-------
A 718 HOH28.51-------
A 719 HOH32.24-------
A 720 HOH19.88-------
A 721 HOH31.81-------
A 722 HOH29.89-------
A 723 HOH33.53-------
A 724 HOH58.85-------
A 725 HOH38.87-------
A 726 HOH33.51-------
A 727 HOH25.07-------
A 728 HOH32.39-------
A 729 HOH39.16-------
A 730 HOH48.86-------
A 731 HOH37.56-------
A 732 HOH34.58-------
#AltResHigh BClash > 0.4ÅRamachandranRotamerCβ deviationBond lengthsBond anglesCis Peptides
Avg: 37.75Clashscore: 1.74Outliers: 6 of 934Poor rotamers: 25 of 855Outliers: 2 of 892Outliers: 9 of 966Outliers: 14 of 966Non-Trans: 0 of 947
A 733 HOH40.22-------
A 734 HOH24.12-------
A 735 HOH35.08-------
A 736 HOH32.55-------
A 737 HOH28.01-------
A 738 HOH39.41-------
A 739 HOH26.34-------
A 740 HOH32.99-------
A 741 HOH54.15-------
A 742 HOH34.27-------
A 743 HOH33.44-------
A 744 HOH32.06-------
A 745 HOH31.19-------
A 746 HOH42.1-------
A 747 HOH28.24-------
A 748 HOH27.36-------
A 749 HOH34.91-------
A 750 HOH39.21-------
A 751 HOH34.26-------
A 752 HOH33.54-------
#AltResHigh BClash > 0.4ÅRamachandranRotamerCβ deviationBond lengthsBond anglesCis Peptides
Avg: 37.75Clashscore: 1.74Outliers: 6 of 934Poor rotamers: 25 of 855Outliers: 2 of 892Outliers: 9 of 966Outliers: 14 of 966Non-Trans: 0 of 947
A 753 HOH37.48-------
A 754 HOH17.41-------
A 755 HOH31.16-------
A 756 HOH37.78-------
A 757 HOH34.04-------
A 758 HOH52.53-------
A 759 HOH26.8-------
A 760 HOH41.71-------
A 761 HOH21.27-------
A 762 HOH17.46-------
A 763 HOH24.38-------
A 764 HOH40.33-------
A 765 HOH54.74-------
A 766 HOH40.91-------
A 767 HOH17.03-------
A 768 HOH21.48-------
A 769 HOH30.27-------
A 770 HOH34.03-------
A 771 HOH37.09-------
A 772 HOH42.85-------
#AltResHigh BClash > 0.4ÅRamachandranRotamerCβ deviationBond lengthsBond anglesCis Peptides
Avg: 37.75Clashscore: 1.74Outliers: 6 of 934Poor rotamers: 25 of 855Outliers: 2 of 892Outliers: 9 of 966Outliers: 14 of 966Non-Trans: 0 of 947
A 773 HOH41.4-------
A 774 HOH34.28-------
A 775 HOH33.97-------
A 776 HOH57.36-------
A 777 HOH20.13-------
A 778 HOH38.74-------
A 779 HOH39.27-------
A 780 HOH29.69-------
A 781 HOH39.57-------
A 782 HOH29.95-------
A 783 HOH25.77-------
A 784 HOH43.55-------
A 785 HOH19.78-------
A 786 HOH54.19-------
A 787 HOH46.61-------
A 788 HOH50.15-------
A 789 HOH37.49-------
A 790 HOH26.35-------
A 791 HOH16.88-------
A 792 HOH45.39-------
#AltResHigh BClash > 0.4ÅRamachandranRotamerCβ deviationBond lengthsBond anglesCis Peptides
Avg: 37.75Clashscore: 1.74Outliers: 6 of 934Poor rotamers: 25 of 855Outliers: 2 of 892Outliers: 9 of 966Outliers: 14 of 966Non-Trans: 0 of 947
A 793 HOH31.64-------
A 794 HOH23-------
A 795 HOH43.36-------
A 796 HOH46.23-------
A 797 HOH24.64-------
A 798 HOH52.63-------
A 799 HOH23.06-------
A 800 HOH37.04-------
A 801 HOH40.15-------
A 802 HOH44.47-------
A 803 HOH41.11-------
A 804 HOH30.92-------
A 805 HOH51.49-------
A 806 HOH33.51-------
A 807 HOH24.4-------
A 808 HOH28.9-------
A 809 HOH19.19-------
A 810 HOH37.38-------
A 811 HOH17.98-------
A 812 HOH37.87-------
#AltResHigh BClash > 0.4ÅRamachandranRotamerCβ deviationBond lengthsBond anglesCis Peptides
Avg: 37.75Clashscore: 1.74Outliers: 6 of 934Poor rotamers: 25 of 855Outliers: 2 of 892Outliers: 9 of 966Outliers: 14 of 966Non-Trans: 0 of 947
A 813 HOH45.38-------
A 814 HOH22.18-------
A 815 HOH57.25-------
A 816 HOH46.69-------
A 817 HOH18.93-------
A 818 HOH52.01-------
A 819 HOH54.67-------
A 820 HOH25.46-------
A 821 HOH46.54-------
A 822 HOH17.6-------
A 823 HOH34.58-------
A 824 HOH25.81-------
A 825 HOH38.44-------
A 826 HOH25.21-------
A 827 HOH33.7-------
A 828 HOH27.22-------
A 829 HOH26.11-------
A 830 HOH31.4-------
A 831 HOH31.68-------
A 832 HOH37.45-------
#AltResHigh BClash > 0.4ÅRamachandranRotamerCβ deviationBond lengthsBond anglesCis Peptides
Avg: 37.75Clashscore: 1.74Outliers: 6 of 934Poor rotamers: 25 of 855Outliers: 2 of 892Outliers: 9 of 966Outliers: 14 of 966Non-Trans: 0 of 947
A 833 HOH41.34-------
A 834 HOH44.85-------
A 835 HOH30.3-------
A 836 HOH38.68-------
A 837 HOH29.29-------
A 838 HOH38.11-------
A 839 HOH23.03-------
A 840 HOH41.22-------
A 841 HOH49.79-------
A 842 HOH34.77-------
A 843 HOH21.05-------
A 844 HOH45.5-------
A 845 HOH29.68-------
A 846 HOH46.78-------
A 847 HOH26.23-------
A 848 HOH18.61-------
A 849 HOH23.49-------
A 850 HOH43.42-------
A 851 HOH46.76-------
A 852 HOH15.9-------
#AltResHigh BClash > 0.4ÅRamachandranRotamerCβ deviationBond lengthsBond anglesCis Peptides
Avg: 37.75Clashscore: 1.74Outliers: 6 of 934Poor rotamers: 25 of 855Outliers: 2 of 892Outliers: 9 of 966Outliers: 14 of 966Non-Trans: 0 of 947
A 853 HOH19.52-------
A 854 HOH38.9-------
A 855 HOH22.71-------
A 856 HOH36.77-------
A 857 HOH45.95-------
A 858 HOH29.41-------
A 859 HOH25.77-------
A 860 HOH49.28-------
A 861 HOH45.97-------
A 862 HOH17.12-------
A 863 HOH33.36-------
A 864 HOH26.54-------
A 865 HOH21.34-------
A 866 HOH45.74-------
A 867 HOH46.66-------
A 868 HOH44.6-------
A 869 HOH22.05-------
A 870 HOH26.92-------
A 871 HOH19.81-------
A 872 HOH33.68-------
#AltResHigh BClash > 0.4ÅRamachandranRotamerCβ deviationBond lengthsBond anglesCis Peptides
Avg: 37.75Clashscore: 1.74Outliers: 6 of 934Poor rotamers: 25 of 855Outliers: 2 of 892Outliers: 9 of 966Outliers: 14 of 966Non-Trans: 0 of 947
A 873 HOH32.76-------
A 874 HOH33.63-------
A 875 HOH40.25-------
A 876 HOH43.79-------
A 877 HOH34.53-------
A 878 HOH16.95-------
A 879 HOH38.53-------
A 880 HOH28.29-------
A 881 HOH51.86-------
A 882 HOH38.92-------
A 883 HOH21.81-------
A 884 HOH32.24-------
A 885 HOH36.99-------
A 886 HOH36.74-------
A 887 HOH43.53-------
A 888 HOH44.81-------
A 889 HOH37.33-------
A 890 HOH28.63-------
A 891 HOH58.55-------
A 892 HOH27.12-------
#AltResHigh BClash > 0.4ÅRamachandranRotamerCβ deviationBond lengthsBond anglesCis Peptides
Avg: 37.75Clashscore: 1.74Outliers: 6 of 934Poor rotamers: 25 of 855Outliers: 2 of 892Outliers: 9 of 966Outliers: 14 of 966Non-Trans: 0 of 947
A 893 HOH37.22-------
A 894 HOH40.59-------
A 895 HOH30.81-------
A 896 HOH37.38-------
A 897 HOH21.19-------
A 898 HOH30.9-------
A 899 HOH33.66-------
A 900 HOH30.4-------
A 901 HOH17.23-------
A 902 HOH26.45-------
A 903 HOH48.98-------
A 904 HOH48.76-------
A 905 HOH54.2-------
A 906 HOH41.04-------
A 907 HOH20.68-------
A 908 HOH38.34-------
A 909 HOH40.51-------
A 910 HOH36.24-------
A 911 HOH29.77-------
A 912 HOH41.2-------
#AltResHigh BClash > 0.4ÅRamachandranRotamerCβ deviationBond lengthsBond anglesCis Peptides
Avg: 37.75Clashscore: 1.74Outliers: 6 of 934Poor rotamers: 25 of 855Outliers: 2 of 892Outliers: 9 of 966Outliers: 14 of 966Non-Trans: 0 of 947
A 913 HOH38.79-------
A 914 HOH41.7-------
A 915 HOH26.89-------
A 916 HOH48.75-------
A 917 HOH49.35-------
A 918 HOH38.71-------
A 919 HOH35.27-------
A 920 HOH39.14-------
A 921 HOH28.23-------
A 922 HOH35.31-------
A 923 HOH30.15-------
A 924 HOH20.68-------
A 925 HOH52.31-------
A 926 HOH27.74-------
A 927 HOH41.83-------
A 928 HOH24.27-------
A 929 HOH40.26-------
A 930 HOH32.52-------
A 931 HOH27.91-------
A 932 HOH17.74-------
#AltResHigh BClash > 0.4ÅRamachandranRotamerCβ deviationBond lengthsBond anglesCis Peptides
Avg: 37.75Clashscore: 1.74Outliers: 6 of 934Poor rotamers: 25 of 855Outliers: 2 of 892Outliers: 9 of 966Outliers: 14 of 966Non-Trans: 0 of 947
A 933 HOH23.8-------
A 934 HOH33.17-------
A 935 HOH42.43-------
A 936 HOH23.06-------
A 937 HOH27.68-------
A 938 HOH37.46-------
A 939 HOH30.99-------
A 940 HOH39.48-------
A 941 HOH42.77-------
A 942 HOH24.5-------
A 943 HOH46.74-------
A 944 HOH41.59-------
A 945 HOH46.5-------
A 946 HOH29.65-------
A 947 HOH41.09-------
A 948 HOH59.36-------
A 949 HOH35.27-------
A 950 HOH39.61-------
A 951 HOH43.13-------
A 952 HOH44.43-------
#AltResHigh BClash > 0.4ÅRamachandranRotamerCβ deviationBond lengthsBond anglesCis Peptides
Avg: 37.75Clashscore: 1.74Outliers: 6 of 934Poor rotamers: 25 of 855Outliers: 2 of 892Outliers: 9 of 966Outliers: 14 of 966Non-Trans: 0 of 947
A 953 HOH42.77-------
A 954 HOH27.23-------
A 955 HOH56.07-------
A 956 HOH30.69-------
A 957 HOH36.07-------
A 958 HOH30.82-------
A 959 HOH39.87-------
A 960 HOH42.26-------
A 961 HOH40.47-------
A 962 HOH20.46-------
A 963 HOH26.33-------
A 964 HOH33.68-------
A 965 HOH57.46-------
A 966 HOH40.94-------
A 967 HOH23.73-------
A 968 HOH46.96-------
A 969 HOH46.33-------
A 970 HOH34.92-------
A 971 HOH49.19-------
A 972 HOH45.98-------
#AltResHigh BClash > 0.4ÅRamachandranRotamerCβ deviationBond lengthsBond anglesCis Peptides
Avg: 37.75Clashscore: 1.74Outliers: 6 of 934Poor rotamers: 25 of 855Outliers: 2 of 892Outliers: 9 of 966Outliers: 14 of 966Non-Trans: 0 of 947
A 973 HOH57.83-------
A 974 HOH37.9-------
A 975 HOH57.8-------
A 976 HOH32.63-------
A 977 HOH33.84-------
A 978 HOH42.02-------
A 979 HOH27.3-------
A 980 HOH42.74-------
A 981 HOH26.63-------
A 982 HOH51.86-------
A 983 HOH28.01-------
A 984 HOH36.97-------
A 985 HOH40.24-------
A 986 HOH36.92-------
A 987 HOH35.4-------
A 988 HOH55.57-------
A 989 HOH46.63-------
A 990 HOH38.71-------
A 991 HOH47.47-------
A 992 HOH48.52-------
#AltResHigh BClash > 0.4ÅRamachandranRotamerCβ deviationBond lengthsBond anglesCis Peptides
Avg: 37.75Clashscore: 1.74Outliers: 6 of 934Poor rotamers: 25 of 855Outliers: 2 of 892Outliers: 9 of 966Outliers: 14 of 966Non-Trans: 0 of 947
A 993 HOH40.18-------
A 994 HOH53.5-------
A 995 HOH35.98-------
A 996 HOH58.63-------
A 997 HOH38.61-------
A 998 HOH44.99-------
A 999 HOH38.78-------
A1000 HOH51.26-------
A1001 HOH41.88-------
A1002 HOH35.27-------
A1003 HOH45.32-------
A1004 HOH37.86-------
A1005 HOH52.33-------
A1006 HOH32.89-------
A1007 HOH53.75-------
A1008 HOH39.97-------
A1009 HOH50.62-------
A1010 HOH51.64-------
A1011 HOH43.37-------
A1012 HOH36.89-------
#AltResHigh BClash > 0.4ÅRamachandranRotamerCβ deviationBond lengthsBond anglesCis Peptides
Avg: 37.75Clashscore: 1.74Outliers: 6 of 934Poor rotamers: 25 of 855Outliers: 2 of 892Outliers: 9 of 966Outliers: 14 of 966Non-Trans: 0 of 947
A1013 HOH57.67-------
A1014 HOH37.08-------
A1015 HOH36.8-------
A1016 HOH44.5-------
A1017 HOH32.4-------
A1018 HOH43.38-------
A1019 HOH58.34-------
A1020 HOH50.43-------
A1021 HOH53.66-------
A1022 HOH44.59-------
A1023 HOH51.23-------
A1024 HOH38.12-------
A1025 HOH40.8-------
A1026 HOH51.84-------
A1027 HOH45.57-------
A1028 HOH41.53-------
A1029 HOH37.68-------
A1030 HOH51-------
A1031 HOH30.7-------
A1032 HOH26.43-------
#AltResHigh BClash > 0.4ÅRamachandranRotamerCβ deviationBond lengthsBond anglesCis Peptides
Avg: 37.75Clashscore: 1.74Outliers: 6 of 934Poor rotamers: 25 of 855Outliers: 2 of 892Outliers: 9 of 966Outliers: 14 of 966Non-Trans: 0 of 947
A1033 HOH48.01-------
A1034 HOH33.98-------
A1035 HOH33.78-------
A1036 HOH45.95-------
A1037 HOH32.23-------
A1038 HOH28.99-------
A1039 HOH38.06-------
A1040 HOH33.41-------
A1041 HOH47.02-------
A1042 HOH48.62-------
A1043 HOH43.47-------
B 701 HOH19.57-------
B 702 HOH28.75-------
B 703 HOH31.27-------
B 704 HOH48.65-------
B 705 HOH50.62-------
B 706 HOH20.79-------
B 707 HOH31.48-------
B 708 HOH32.74-------
B 709 HOH59.52-------
#AltResHigh BClash > 0.4ÅRamachandranRotamerCβ deviationBond lengthsBond anglesCis Peptides
Avg: 37.75Clashscore: 1.74Outliers: 6 of 934Poor rotamers: 25 of 855Outliers: 2 of 892Outliers: 9 of 966Outliers: 14 of 966Non-Trans: 0 of 947
B 710 HOH42.07-------
B 711 HOH50.880.41Å
O with B 601 5OD H1
------
B 712 HOH24.87-------
B 713 HOH25.75-------
B 714 HOH37.91-------
B 715 HOH33.14-------
B 716 HOH30.94-------
B 717 HOH29.61-------
B 718 HOH41.6-------
B 719 HOH25.06-------
B 720 HOH38.59-------
B 721 HOH22.57-------
B 722 HOH33.22-------
B 723 HOH28.54-------
B 724 HOH29.35-------
B 725 HOH21.95-------
B 726 HOH31.12-------
B 727 HOH29.58-------
B 728 HOH31.6-------
B 729 HOH28.64-------
#AltResHigh BClash > 0.4ÅRamachandranRotamerCβ deviationBond lengthsBond anglesCis Peptides
Avg: 37.75Clashscore: 1.74Outliers: 6 of 934Poor rotamers: 25 of 855Outliers: 2 of 892Outliers: 9 of 966Outliers: 14 of 966Non-Trans: 0 of 947
B 730 HOH28.88-------
B 731 HOH23.71-------
B 732 HOH38.35-------
B 733 HOH28.15-------
B 734 HOH42.26-------
B 735 HOH37.26-------
B 736 HOH20.26-------
B 737 HOH26.91-------
B 738 HOH52.41-------
B 739 HOH25.59-------
B 740 HOH41.91-------
B 741 HOH39.53-------
B 742 HOH28.93-------
B 743 HOH27.76-------
B 744 HOH19.25-------
B 745 HOH45.74-------
B 746 HOH17.28-------
B 747 HOH49.01-------
B 748 HOH26.2-------
B 749 HOH48.69-------
#AltResHigh BClash > 0.4ÅRamachandranRotamerCβ deviationBond lengthsBond anglesCis Peptides
Avg: 37.75Clashscore: 1.74Outliers: 6 of 934Poor rotamers: 25 of 855Outliers: 2 of 892Outliers: 9 of 966Outliers: 14 of 966Non-Trans: 0 of 947
B 750 HOH42.97-------
B 751 HOH27.71-------
B 752 HOH36.61-------
B 753 HOH21.61-------
B 754 HOH53.44-------
B 755 HOH25.68-------
B 756 HOH44.1-------
B 757 HOH39-------
B 758 HOH33.76-------
B 759 HOH22.63-------
B 760 HOH26-------
B 761 HOH38.1-------
B 762 HOH46.22-------
B 763 HOH36.28-------
B 764 HOH17.58-------
B 765 HOH43.35-------
B 766 HOH39.25-------
B 767 HOH48.01-------
B 768 HOH32.48-------
B 769 HOH25.68-------
#AltResHigh BClash > 0.4ÅRamachandranRotamerCβ deviationBond lengthsBond anglesCis Peptides
Avg: 37.75Clashscore: 1.74Outliers: 6 of 934Poor rotamers: 25 of 855Outliers: 2 of 892Outliers: 9 of 966Outliers: 14 of 966Non-Trans: 0 of 947
B 770 HOH37.51-------
B 771 HOH27.68-------
B 772 HOH33.12-------
B 773 HOH37.29-------
B 774 HOH37.09-------
B 775 HOH38.8-------
B 776 HOH17.06-------
B 777 HOH29.54-------
B 778 HOH39.74-------
B 779 HOH39.24-------
B 780 HOH16.42-------
B 781 HOH43.4-------
B 782 HOH33.7-------
B 783 HOH35.88-------
B 784 HOH36.49-------
B 785 HOH38.53-------
B 786 HOH33.91-------
B 787 HOH36.05-------
B 788 HOH36.8-------
B 789 HOH30.41-------
#AltResHigh BClash > 0.4ÅRamachandranRotamerCβ deviationBond lengthsBond anglesCis Peptides
Avg: 37.75Clashscore: 1.74Outliers: 6 of 934Poor rotamers: 25 of 855Outliers: 2 of 892Outliers: 9 of 966Outliers: 14 of 966Non-Trans: 0 of 947
B 790 HOH55.26-------
B 791 HOH28.19-------
B 792 HOH31.4-------
B 793 HOH39.36-------
B 794 HOH30.42-------
B 795 HOH39.15-------
B 796 HOH38.11-------
B 797 HOH33.17-------
B 798 HOH23.63-------
B 799 HOH45.96-------
B 800 HOH47.16-------
B 801 HOH31.01-------
B 802 HOH43.09-------
B 803 HOH40.22-------
B 804 HOH26.87-------
B 805 HOH34.27-------
B 806 HOH45.52-------
B 807 HOH32.27-------
B 808 HOH36.76-------
B 809 HOH30.8-------
#AltResHigh BClash > 0.4ÅRamachandranRotamerCβ deviationBond lengthsBond anglesCis Peptides
Avg: 37.75Clashscore: 1.74Outliers: 6 of 934Poor rotamers: 25 of 855Outliers: 2 of 892Outliers: 9 of 966Outliers: 14 of 966Non-Trans: 0 of 947
B 810 HOH45.93-------
B 811 HOH30.74-------
B 812 HOH28.29-------
B 813 HOH47.33-------
B 814 HOH42.35-------
B 815 HOH48.42-------
B 816 HOH37.83-------
B 817 HOH28.17-------
B 818 HOH18.75-------
B 819 HOH27.58-------
B 820 HOH34.43-------
B 821 HOH37.5-------
B 822 HOH36.5-------
B 823 HOH24.38-------
B 824 HOH46.330.42Å
O with B 195 GLU HG2
------
B 825 HOH21.14-------
B 826 HOH34.68-------
B 827 HOH17.69-------
B 828 HOH43.06-------
B 829 HOH38.6-------
#AltResHigh BClash > 0.4ÅRamachandranRotamerCβ deviationBond lengthsBond anglesCis Peptides
Avg: 37.75Clashscore: 1.74Outliers: 6 of 934Poor rotamers: 25 of 855Outliers: 2 of 892Outliers: 9 of 966Outliers: 14 of 966Non-Trans: 0 of 947
B 830 HOH26.88-------
B 831 HOH20.44-------
B 832 HOH25.72-------
B 833 HOH39.82-------
B 834 HOH36.51-------
B 835 HOH25.93-------
B 836 HOH15.49-------
B 837 HOH38.53-------
B 838 HOH36.3-------
B 839 HOH24.22-------
B 840 HOH52.37-------
B 841 HOH45.14-------
B 842 HOH25.24-------
B 843 HOH39.88-------
B 844 HOH36.2-------
B 845 HOH45.21-------
B 846 HOH41.14-------
B 847 HOH15.57-------
B 848 HOH36.81-------
B 849 HOH39.04-------
#AltResHigh BClash > 0.4ÅRamachandranRotamerCβ deviationBond lengthsBond anglesCis Peptides
Avg: 37.75Clashscore: 1.74Outliers: 6 of 934Poor rotamers: 25 of 855Outliers: 2 of 892Outliers: 9 of 966Outliers: 14 of 966Non-Trans: 0 of 947
B 850 HOH24.53-------
B 851 HOH30.8-------
B 852 HOH54.53-------
B 853 HOH24.54-------
B 854 HOH35.7-------
B 855 HOH43.54-------
B 856 HOH41.07-------
B 857 HOH38.75-------
B 858 HOH35.83-------
B 859 HOH26.68-------
B 860 HOH31.22-------
B 861 HOH32.96-------
B 862 HOH22.24-------
B 863 HOH18.26-------
B 864 HOH31.01-------
B 865 HOH40.92-------
B 866 HOH37.05-------
B 867 HOH33.44-------
B 868 HOH27.19-------
B 869 HOH32.59-------
#AltResHigh BClash > 0.4ÅRamachandranRotamerCβ deviationBond lengthsBond anglesCis Peptides
Avg: 37.75Clashscore: 1.74Outliers: 6 of 934Poor rotamers: 25 of 855Outliers: 2 of 892Outliers: 9 of 966Outliers: 14 of 966Non-Trans: 0 of 947
B 870 HOH49.5-------
B 871 HOH34.57-------
B 872 HOH39.6-------
B 873 HOH28.83-------
B 874 HOH34.35-------
B 875 HOH26.42-------
B 876 HOH42.39-------
B 877 HOH45.2-------
B 878 HOH41.53-------
B 879 HOH46.57-------
B 880 HOH16.34-------
B 881 HOH29.76-------
B 882 HOH15.63-------
B 883 HOH35.09-------
B 884 HOH28.85-------
B 885 HOH18.93-------
B 886 HOH33.32-------
B 887 HOH27-------
B 888 HOH38.14-------
B 889 HOH30.79-------
#AltResHigh BClash > 0.4ÅRamachandranRotamerCβ deviationBond lengthsBond anglesCis Peptides
Avg: 37.75Clashscore: 1.74Outliers: 6 of 934Poor rotamers: 25 of 855Outliers: 2 of 892Outliers: 9 of 966Outliers: 14 of 966Non-Trans: 0 of 947
B 890 HOH31.3-------
B 891 HOH31.42-------
B 892 HOH22.79-------
B 893 HOH22.48-------
B 894 HOH35.31-------
B 895 HOH30.28-------
B 896 HOH30.52-------
B 897 HOH27.85-------
B 898 HOH17.98-------
B 899 HOH29.04-------
B 900 HOH35.97-------
B 901 HOH44.17-------
B 902 HOH34.29-------
B 903 HOH40.38-------
B 904 HOH44.3-------
B 905 HOH44.29-------
B 906 HOH40.8-------
B 907 HOH37.24-------
B 908 HOH42.16-------
B 909 HOH33.31-------
#AltResHigh BClash > 0.4ÅRamachandranRotamerCβ deviationBond lengthsBond anglesCis Peptides
Avg: 37.75Clashscore: 1.74Outliers: 6 of 934Poor rotamers: 25 of 855Outliers: 2 of 892Outliers: 9 of 966Outliers: 14 of 966Non-Trans: 0 of 947
B 910 HOH59.98-------
B 911 HOH31.64-------
B 912 HOH23.37-------
B 913 HOH25.81-------
B 914 HOH53.15-------
B 915 HOH30.68-------
B 916 HOH48.49-------
B 917 HOH55.69-------
B 918 HOH36.93-------
B 919 HOH53.94-------
B 920 HOH29.64-------
B 921 HOH29.79-------
B 922 HOH39.01-------
B 923 HOH30.51-------
B 924 HOH46.53-------
B 925 HOH24.98-------
B 926 HOH37.1-------
B 927 HOH32.75-------
B 928 HOH37.89-------
B 929 HOH36.68-------
#AltResHigh BClash > 0.4ÅRamachandranRotamerCβ deviationBond lengthsBond anglesCis Peptides
Avg: 37.75Clashscore: 1.74Outliers: 6 of 934Poor rotamers: 25 of 855Outliers: 2 of 892Outliers: 9 of 966Outliers: 14 of 966Non-Trans: 0 of 947
B 930 HOH30.41-------
B 931 HOH36.04-------
B 932 HOH55.48-------
B 933 HOH19.48-------
B 934 HOH43.01-------
B 935 HOH34.69-------
B 936 HOH32.76-------
B 937 HOH20.26-------
B 938 HOH58.74-------
B 939 HOH35.17-------
B 940 HOH32.52-------
B 941 HOH47.13-------
B 942 HOH29.24-------
B 943 HOH40.07-------
B 944 HOH48.67-------
B 945 HOH48.42-------
B 946 HOH44.39-------
B 947 HOH39.56-------
B 948 HOH51.1-------
B 949 HOH29.78-------
#AltResHigh BClash > 0.4ÅRamachandranRotamerCβ deviationBond lengthsBond anglesCis Peptides
Avg: 37.75Clashscore: 1.74Outliers: 6 of 934Poor rotamers: 25 of 855Outliers: 2 of 892Outliers: 9 of 966Outliers: 14 of 966Non-Trans: 0 of 947
B 950 HOH47.09-------
B 951 HOH46.76-------
B 952 HOH31.84-------
B 953 HOH50.91-------
B 954 HOH33.95-------
B 955 HOH41.17-------
B 956 HOH42.36-------
B 957 HOH39.99-------
B 958 HOH39.41-------
B 959 HOH32.84-------
B 960 HOH45.74-------
B 961 HOH43.62-------
B 962 HOH44.66-------
B 963 HOH43.22-------
B 964 HOH58.54-------
B 965 HOH53.56-------
B 966 HOH36.67-------
B 967 HOH45.16-------
B 968 HOH30.24-------
B 969 HOH43.9-------
#AltResHigh BClash > 0.4ÅRamachandranRotamerCβ deviationBond lengthsBond anglesCis Peptides
Avg: 37.75Clashscore: 1.74Outliers: 6 of 934Poor rotamers: 25 of 855Outliers: 2 of 892Outliers: 9 of 966Outliers: 14 of 966Non-Trans: 0 of 947
B 970 HOH49.27-------
B 971 HOH35.25-------
B 972 HOH58.11-------
B 973 HOH49.8-------
B 974 HOH26.71-------
B 975 HOH48.93-------
B 976 HOH38.96-------
B 977 HOH32.24-------
B 978 HOH47.76-------
B 979 HOH39.99-------
B 980 HOH44.89-------
B 981 HOH39.06-------
B 982 HOH41.86-------
B 983 HOH52.52-------
B 984 HOH60.01-------
B 985 HOH47.73-------
B 986 HOH56.4-------
B 987 HOH38.34-------
B 988 HOH55.22-------
B 989 HOH58.93-------
#AltResHigh BClash > 0.4ÅRamachandranRotamerCβ deviationBond lengthsBond anglesCis Peptides
Avg: 37.75Clashscore: 1.74Outliers: 6 of 934Poor rotamers: 25 of 855Outliers: 2 of 892Outliers: 9 of 966Outliers: 14 of 966Non-Trans: 0 of 947
B 990 HOH36.96-------
B 991 HOH40.44-------
B 992 HOH46.73-------
B 993 HOH56.86-------
B 994 HOH37.13-------
B 995 HOH46.84-------
B 996 HOH41.13-------
B 997 HOH47.77-------
B 998 HOH47.15-------
B 999 HOH44.72-------
B1000 HOH38.26-------
B1001 HOH48-------
B1002 HOH37.58-------
B1003 HOH49.34-------
B1004 HOH48.84-------
B1005 HOH35.14-------
B1006 HOH42.53-------
B1007 HOH49.58-------
B1008 HOH44.2-------
B1009 HOH44.18-------
#AltResHigh BClash > 0.4ÅRamachandranRotamerCβ deviationBond lengthsBond anglesCis Peptides
Avg: 37.75Clashscore: 1.74Outliers: 6 of 934Poor rotamers: 25 of 855Outliers: 2 of 892Outliers: 9 of 966Outliers: 14 of 966Non-Trans: 0 of 947
B1010 HOH45.47-------
B1011 HOH34.98-------
B1012 HOH39.08-------
B1013 HOH34.72-------
B1014 HOH47.01-------
B1015 HOH49.93-------
B1016 HOH27.84-------
B1017 HOH60.17-------
B1018 HOH44.33-------
B1019 HOH44.46-------
B1020 HOH43.87-------
B1021 HOH46.51-------
B1022 HOH45.48-------
B1023 HOH37.15-------
B1024 HOH33.15-------
B1025 HOH33.19-------
B1026 HOH39.59-------
B1027 HOH54.71-------