REM -------------------------------------------------------------------- 4GUW REM 4GUW REM STRIDE: Knowledge-based secondary structure assignment 4GUW REM Please cite: D.Frishman & P.Argos, Proteins XX, XXX-XXX, 1995 4GUW REM 4GUW REM Residue accessible surface area calculation 4GUW REM Please cite: F.Eisenhaber & P.Argos, J.Comp.Chem. 14, 1272-1280, 1993 4GUW REM F.Eisenhaber et al., J.Comp.Chem., 1994, submitted 4GUW REM 4GUW REM ------------------------ General information ----------------------- 4GUW REM 4GUW HDR HYDROLASE 30-AUG-12 4GUW 4GUW CMP MOL_ID: 1; 4GUW CMP MOLECULE: RRNA N-GLYCOSIDASE; 4GUW CMP CHAIN: A; 4GUW CMP EC: 3.2.2.22 4GUW SRC MOL_ID: 1; 4GUW SRC ORGANISM_SCIENTIFIC: MOMORDICA BALSAMINA; 4GUW SRC ORGANISM_COMMON: BITTER GOURD; 4GUW SRC ORGANISM_TAXID: 3672 4GUW AUT A.SINGH,S.PANDEY,G.S.KUSHWAHA,A.BHUSHAN,M.SINHA,P.KAUR,S.SHAR 4GUW AUT T.P.SINGH 4GUW REM 4GUW REM -------------------- Secondary structure summary ------------------- 4GUW REM 4GUW CHN /home/proj/stride/tmp/tmp1yjT-Mpdb A 4GUW REM 4GUW REM . . . . . 4GUW SEQ 1 DVSFRLSGADPSSYGMFIKDLRNALPHTEKVYNIPLLLPSVSGAGRYLLM 50 4GUW STR EEEETTTT HHHHHHHHHHHHHH EEEEETTEEEE GGGEEEE 4GUW REM 4GUW REM . . . . . 4GUW SEQ 51 HLFNYDGNTITVAVDVTNVYIMGYLALTTSYFFNEPAADLASQYVFRSAR 100 4GUW STR EEETTTT EEEEEEETTTTEEEEEEETTEEEE HHHHHHHHTTTTTTT 4GUW REM 4GUW REM . . . . . 4GUW SEQ 101 RKITLPYSGNYERLQIAAGKPREKIPIGLPALDTAISTLLHYDSTAAAGA 150 4GUW STR EEEE HHHHHHHH GGG B HHHHHHHHHHHH HHHHHHH 4GUW REM 4GUW REM . . . . . 4GUW SEQ 151 LLVLIQTTAEAARFKYIEQQIQERAYRDEVPSSATISLENSWSGLSKQIQ 200 4GUW STR HHHHHHHHHHHHHBHHHHHHHHHHTTT B HHHHHHHHHHHHHHHHHH 4GUW REM 4GUW REM . . . . 4GUW SEQ 201 LAQGNNGVFRTPTVLVDSKGNRVQITNVTSNVVTSNIQLLLNTKNI 246 4GUW STR HHHTTTTEEEEEEE TTTT EEEETTTHHHHHHB B GGG 4GUW REM 4GUW REM 4GUW REM 4GUW LOC AlphaHelix PRO 11 A ALA 24 A 4GUW LOC AlphaHelix PRO 86 A GLN 93 A 4GUW LOC AlphaHelix TYR 111 A ALA 118 A 4GUW LOC AlphaHelix LEU 129 A LEU 140 A 4GUW LOC AlphaHelix SER 144 A ARG 163 A 4GUW LOC AlphaHelix LYS 165 A ARG 174 A 4GUW LOC AlphaHelix SER 183 A GLN 203 A 4GUW LOC AlphaHelix ASN 231 A ASN 236 A 4GUW LOC 310Helix ALA 44 A ARG 46 A 4GUW LOC 310Helix ARG 122 A LYS 124 A 4GUW LOC 310Helix THR 243 A ASN 245 A 4GUW LOC Strand VAL 2 A ARG 5 A 4GUW LOC Strand HIS 27 A VAL 31 A 4GUW LOC Strand ILE 34 A LEU 37 A 4GUW LOC Strand TYR 47 A PHE 53 A 4GUW LOC Strand THR 59 A ASP 65 A 4GUW LOC Strand TYR 70 A ALA 76 A 4GUW LOC Strand THR 79 A PHE 82 A 4GUW LOC Strand ARG 101 A THR 104 A 4GUW LOC Strand VAL 208 A VAL 214 A 4GUW LOC Strand GLN 224 A ASN 227 A 4GUW LOC TurnII LEU 6 A ALA 9 A 4GUW LOC TurnIV LYS 30 A ASN 33 A 4GUW LOC TurnI' VAL 31 A ILE 34 A 4GUW LOC TurnI ASN 54 A GLY 57 A 4GUW LOC TurnI ASP 65 A ASN 68 A 4GUW LOC TurnIV VAL 66 A VAL 69 A 4GUW LOC TurnII' ALA 76 A THR 79 A 4GUW LOC TurnIV TYR 94 A ARG 97 A 4GUW LOC TurnI PHE 96 A ALA 99 A 4GUW LOC TurnVIII ALA 99 A LYS 102 A 4GUW LOC TurnI ARG 174 A ARG 177 A 4GUW LOC TurnIV GLN 203 A ASN 206 A 4GUW LOC TurnI' ASN 205 A VAL 208 A 4GUW LOC TurnVIII PHE 209 A PRO 212 A 4GUW LOC TurnI ASP 217 A GLY 220 A 4GUW LOC TurnI ASN 227 A SER 230 A 4GUW REM 4GUW REM --------------- Detailed secondary structure assignment------------- 4GUW REM 4GUW REM |---Residue---| |--Structure--| |-Phi-| |-Psi-| |-Area-| 4GUW ASG ASP A 1 1 C Coil 360.00 159.78 125.8 4GUW ASG VAL A 2 2 E Strand -129.33 159.06 11.6 4GUW ASG SER A 3 3 E Strand -138.24 156.61 42.1 4GUW ASG PHE A 4 4 E Strand -148.90 132.04 7.3 4GUW ASG ARG A 5 5 E Strand -111.72 126.46 141.9 4GUW ASG LEU A 6 6 T Turn -75.99 -24.65 15.6 4GUW ASG SER A 7 7 T Turn -73.26 117.86 70.8 4GUW ASG GLY A 8 8 T Turn 83.73 4.09 68.2 4GUW ASG ALA A 9 9 T Turn -67.05 149.24 14.4 4GUW ASG ASP A 10 10 C Coil -148.81 177.78 61.1 4GUW ASG PRO A 11 11 H AlphaHelix -58.70 -34.78 43.7 4GUW ASG SER A 12 12 H AlphaHelix -67.16 -48.06 76.2 4GUW ASG SER A 13 13 H AlphaHelix -69.67 -29.61 28.5 4GUW ASG TYR A 14 14 H AlphaHelix -67.32 -42.69 0.0 4GUW ASG GLY A 15 15 H AlphaHelix -59.79 -36.07 11.9 4GUW ASG MET A 16 16 H AlphaHelix -65.40 -37.03 103.7 4GUW ASG PHE A 17 17 H AlphaHelix -67.76 -46.74 2.8 4GUW ASG ILE A 18 18 H AlphaHelix -59.58 -39.62 0.0 4GUW ASG LYS A 19 19 H AlphaHelix -64.02 -43.02 120.3 4GUW ASG ASP A 20 20 H AlphaHelix -62.25 -41.82 73.5 4GUW ASG LEU A 21 21 H AlphaHelix -62.33 -50.39 0.8 4GUW ASG ARG A 22 22 H AlphaHelix -57.77 -42.17 34.9 4GUW ASG ASN A 23 23 H AlphaHelix -73.93 -15.09 115.9 4GUW ASG ALA A 24 24 H AlphaHelix -80.97 -8.52 37.0 4GUW ASG LEU A 25 25 C Coil -96.77 127.23 6.2 4GUW ASG PRO A 26 26 C Coil -79.49 151.70 52.8 4GUW ASG HIS A 27 27 E Strand -151.56 150.34 83.1 4GUW ASG THR A 28 28 E Strand -102.48 -18.07 124.4 4GUW ASG GLU A 29 29 E Strand -147.73 152.54 90.3 4GUW ASG LYS A 30 30 E Strand -113.29 148.71 104.4 4GUW ASG VAL A 31 31 E Strand -122.47 118.47 0.6 4GUW ASG TYR A 32 32 T Turn 55.18 35.61 87.3 4GUW ASG ASN A 33 33 T Turn 71.45 15.09 128.3 4GUW ASG ILE A 34 34 E Strand -110.44 127.30 8.1 4GUW ASG PRO A 35 35 E Strand -51.62 130.77 26.3 4GUW ASG LEU A 36 36 E Strand -99.47 115.77 11.8 4GUW ASG LEU A 37 37 E Strand -65.52 149.55 1.4 4GUW ASG LEU A 38 38 C Coil -68.56 147.62 37.3 4GUW ASG PRO A 39 39 C Coil -55.34 -39.67 36.4 4GUW ASG SER A 40 40 C Coil -162.30 152.34 76.1 4GUW ASG VAL A 41 41 C Coil -143.47 130.27 30.8 4GUW ASG SER A 42 42 C Coil -98.48 143.61 113.3 4GUW ASG GLY A 43 43 C Coil 86.56 -152.67 25.9 4GUW ASG ALA A 44 44 G 310Helix -73.91 -22.87 57.0 4GUW ASG GLY A 45 45 G 310Helix -55.53 -17.16 54.1 4GUW ASG ARG A 46 46 G 310Helix -65.07 -23.41 42.9 4GUW ASG TYR A 47 47 E Strand -110.90 128.09 18.9 4GUW ASG LEU A 48 48 E Strand -95.96 137.51 13.8 4GUW ASG LEU A 49 49 E Strand -97.91 120.31 41.8 4GUW ASG MET A 50 50 E Strand -105.18 120.06 0.6 4GUW ASG HIS A 51 51 E Strand -98.94 119.05 40.3 4GUW ASG LEU A 52 52 E Strand -117.69 135.61 0.0 4GUW ASG PHE A 53 53 E Strand -122.45 131.75 39.1 4GUW ASG ASN A 54 54 T Turn -80.54 -179.59 2.6 4GUW ASG TYR A 55 55 T Turn -61.49 -30.19 147.9 4GUW ASG ASP A 56 56 T Turn -85.14 -0.18 126.4 4GUW ASG GLY A 57 57 T Turn 90.53 -2.55 43.0 4GUW ASG ASN A 58 58 C Coil -75.40 153.08 87.1 4GUW ASG THR A 59 59 E Strand -138.39 147.43 52.3 4GUW ASG ILE A 60 60 E Strand -123.04 155.19 1.2 4GUW ASG THR A 61 61 E Strand -111.42 126.35 18.2 4GUW ASG VAL A 62 62 E Strand -106.98 130.66 0.0 4GUW ASG ALA A 63 63 E Strand -93.83 124.27 0.0 4GUW ASG VAL A 64 64 E Strand -120.40 130.14 2.2 4GUW ASG ASP A 65 65 E Strand -76.35 123.18 3.2 4GUW ASG VAL A 66 66 T Turn -75.88 -10.90 6.3 4GUW ASG THR A 67 67 T Turn -83.62 -22.06 0.6 4GUW ASG ASN A 68 68 T Turn -144.07 0.52 17.2 4GUW ASG VAL A 69 69 T Turn 62.42 25.31 1.0 4GUW ASG TYR A 70 70 E Strand -86.29 134.19 100.3 4GUW ASG ILE A 71 71 E Strand -78.27 133.65 9.5 4GUW ASG MET A 72 72 E Strand -99.03 -34.63 0.8 4GUW ASG GLY A 73 73 E Strand 176.85 -174.52 0.8 4GUW ASG TYR A 74 74 E Strand -156.80 161.87 2.6 4GUW ASG LEU A 75 75 E Strand -114.79 134.84 43.2 4GUW ASG ALA A 76 76 E Strand -139.11 106.01 1.7 4GUW ASG LEU A 77 77 T Turn 56.69 -118.66 136.3 4GUW ASG THR A 78 78 T Turn -102.96 15.42 42.9 4GUW ASG THR A 79 79 E Strand -119.87 133.78 8.6 4GUW ASG SER A 80 80 E Strand -98.56 155.27 3.6 4GUW ASG TYR A 81 81 E Strand -139.74 132.79 3.4 4GUW ASG PHE A 82 82 E Strand -130.25 149.05 3.4 4GUW ASG PHE A 83 83 C Coil -59.12 151.97 4.2 4GUW ASG ASN A 84 84 C Coil -87.90 75.30 100.3 4GUW ASG GLU A 85 85 C Coil -151.70 155.45 45.1 4GUW ASG PRO A 86 86 H AlphaHelix -62.75 -35.36 115.0 4GUW ASG ALA A 87 87 H AlphaHelix -65.35 -32.67 45.9 4GUW ASG ALA A 88 88 H AlphaHelix -79.88 -37.36 0.0 4GUW ASG ASP A 89 89 H AlphaHelix -60.91 -41.84 88.7 4GUW ASG LEU A 90 90 H AlphaHelix -52.59 -48.03 69.5 4GUW ASG ALA A 91 91 H AlphaHelix -57.33 -35.76 0.0 4GUW ASG SER A 92 92 H AlphaHelix -67.81 -8.06 7.3 4GUW ASG GLN A 93 93 H AlphaHelix -75.97 -20.65 95.5 4GUW ASG TYR A 94 94 T Turn -115.58 -32.52 103.0 4GUW ASG VAL A 95 95 T Turn -113.38 145.42 13.3 4GUW ASG PHE A 96 96 T Turn 67.74 24.36 26.9 4GUW ASG ARG A 97 97 T Turn -60.81 -25.17 177.9 4GUW ASG SER A 98 98 T Turn -80.58 2.88 125.2 4GUW ASG ALA A 99 99 T Turn -62.57 140.01 22.8 4GUW ASG ARG A 100 100 T Turn -59.77 -36.19 213.3 4GUW ASG ARG A 101 101 E Strand -145.52 155.48 144.6 4GUW ASG LYS A 102 102 E Strand -118.98 116.96 101.8 4GUW ASG ILE A 103 103 E Strand -101.47 133.02 30.0 4GUW ASG THR A 104 104 E Strand -92.52 118.54 70.8 4GUW ASG LEU A 105 105 C Coil -59.93 150.56 1.0 4GUW ASG PRO A 106 106 C Coil -89.51 45.43 77.9 4GUW ASG TYR A 107 107 C Coil -166.99 158.26 12.9 4GUW ASG SER A 108 108 C Coil -75.16 177.11 20.9 4GUW ASG GLY A 109 109 C Coil -87.12 3.94 18.6 4GUW ASG ASN A 110 110 C Coil -80.83 152.22 75.8 4GUW ASG TYR A 111 111 H AlphaHelix -55.27 -39.28 34.7 4GUW ASG GLU A 112 112 H AlphaHelix -65.26 -45.61 112.4 4GUW ASG ARG A 113 113 H AlphaHelix -61.19 -41.06 129.2 4GUW ASG LEU A 114 114 H AlphaHelix -69.06 -41.07 0.0 4GUW ASG GLN A 115 115 H AlphaHelix -60.62 -36.79 16.9 4GUW ASG ILE A 116 116 H AlphaHelix -65.95 -47.98 102.2 4GUW ASG ALA A 117 117 H AlphaHelix -62.01 -36.77 29.9 4GUW ASG ALA A 118 118 H AlphaHelix -79.56 -21.45 20.5 4GUW ASG GLY A 119 119 C Coil 81.52 12.33 60.7 4GUW ASG LYS A 120 120 C Coil -153.14 146.77 94.1 4GUW ASG PRO A 121 121 C Coil -79.86 158.35 47.3 4GUW ASG ARG A 122 122 G 310Helix -50.47 -41.83 7.8 4GUW ASG GLU A 123 123 G 310Helix -49.07 -25.79 94.5 4GUW ASG LYS A 124 124 G 310Helix -104.02 2.56 123.1 4GUW ASG ILE A 125 125 C Coil -103.30 112.83 17.0 4GUW ASG PRO A 126 126 C Coil -60.16 143.78 59.1 4GUW ASG ILE A 127 127 B Bridge -126.32 168.34 0.8 4GUW ASG GLY A 128 128 C Coil 147.06 177.59 0.0 4GUW ASG LEU A 129 129 H AlphaHelix -67.70 -42.09 5.0 4GUW ASG PRO A 130 130 H AlphaHelix -60.48 -38.91 46.8 4GUW ASG ALA A 131 131 H AlphaHelix -62.99 -37.23 8.2 4GUW ASG LEU A 132 132 H AlphaHelix -67.63 -35.49 0.0 4GUW ASG ASP A 133 133 H AlphaHelix -58.99 -45.03 42.5 4GUW ASG THR A 134 134 H AlphaHelix -62.41 -39.62 76.2 4GUW ASG ALA A 135 135 H AlphaHelix -67.38 -41.77 2.7 4GUW ASG ILE A 136 136 H AlphaHelix -57.31 -46.93 0.6 4GUW ASG SER A 137 137 H AlphaHelix -57.87 -47.08 44.8 4GUW ASG THR A 138 138 H AlphaHelix -60.63 -40.94 42.1 4GUW ASG LEU A 139 139 H AlphaHelix -73.81 -11.43 2.2 4GUW ASG LEU A 140 140 H AlphaHelix -66.71 -27.42 22.9 4GUW ASG HIS A 141 141 C Coil -131.88 129.16 147.5 4GUW ASG TYR A 142 142 C Coil -59.21 130.07 96.5 4GUW ASG ASP A 143 143 C Coil -157.56 102.45 83.4 4GUW ASG SER A 144 144 H AlphaHelix -63.46 -38.03 31.2 4GUW ASG THR A 145 145 H AlphaHelix -69.79 -40.59 87.8 4GUW ASG ALA A 146 146 H AlphaHelix -66.38 -37.80 36.6 4GUW ASG ALA A 147 147 H AlphaHelix -67.58 -34.56 2.2 4GUW ASG ALA A 148 148 H AlphaHelix -58.88 -46.00 0.0 4GUW ASG GLY A 149 149 H AlphaHelix -66.58 -41.14 17.2 4GUW ASG ALA A 150 150 H AlphaHelix -59.57 -39.37 7.2 4GUW ASG LEU A 151 151 H AlphaHelix -73.76 -35.37 0.0 4GUW ASG LEU A 152 152 H AlphaHelix -60.24 -38.11 0.0 4GUW ASG VAL A 153 153 H AlphaHelix -67.89 -45.58 9.0 4GUW ASG LEU A 154 154 H AlphaHelix -61.95 -42.26 1.0 4GUW ASG ILE A 155 155 H AlphaHelix -62.89 -43.65 16.6 4GUW ASG GLN A 156 156 H AlphaHelix -72.52 -35.21 0.0 4GUW ASG THR A 157 157 H AlphaHelix -85.78 -4.79 0.0 4GUW ASG THR A 158 158 H AlphaHelix -120.00 -79.97 0.6 4GUW ASG ALA A 159 159 H AlphaHelix -57.71 -46.21 2.6 4GUW ASG GLU A 160 160 H AlphaHelix -67.72 -39.08 4.0 4GUW ASG ALA A 161 161 H AlphaHelix -65.06 -38.74 0.0 4GUW ASG ALA A 162 162 H AlphaHelix -58.99 -40.79 0.0 4GUW ASG ARG A 163 163 H AlphaHelix -75.63 -30.40 10.4 4GUW ASG PHE A 164 164 B Bridge -136.23 123.06 0.0 4GUW ASG LYS A 165 165 H AlphaHelix -58.10 -34.50 78.6 4GUW ASG TYR A 166 166 H AlphaHelix -61.77 -40.46 33.2 4GUW ASG ILE A 167 167 H AlphaHelix -71.50 -36.80 0.4 4GUW ASG GLU A 168 168 H AlphaHelix -61.64 -43.79 20.2 4GUW ASG GLN A 169 169 H AlphaHelix -65.35 -35.94 85.1 4GUW ASG GLN A 170 170 H AlphaHelix -61.33 -40.86 21.4 4GUW ASG ILE A 171 171 H AlphaHelix -66.63 -38.58 0.0 4GUW ASG GLN A 172 172 H AlphaHelix -62.65 -36.09 49.4 4GUW ASG GLU A 173 173 H AlphaHelix -66.89 -23.25 137.1 4GUW ASG ARG A 174 174 H AlphaHelix -104.02 36.90 7.6 4GUW ASG ALA A 175 175 T Turn -71.69 -30.06 7.0 4GUW ASG TYR A 176 176 T Turn -128.46 4.76 166.8 4GUW ASG ARG A 177 177 T Turn -154.04 110.50 188.0 4GUW ASG ASP A 178 178 C Coil -69.05 152.57 53.4 4GUW ASG GLU A 179 179 B Bridge -154.19 143.84 98.2 4GUW ASG VAL A 180 180 C Coil -51.71 148.12 55.4 4GUW ASG PRO A 181 181 C Coil -59.79 147.91 9.7 4GUW ASG SER A 182 182 C Coil -66.06 155.27 28.7 4GUW ASG SER A 183 183 H AlphaHelix -56.78 -32.49 80.8 4GUW ASG ALA A 184 184 H AlphaHelix -62.90 -43.31 5.5 4GUW ASG THR A 185 185 H AlphaHelix -56.37 -52.41 1.2 4GUW ASG ILE A 186 186 H AlphaHelix -59.34 -38.77 11.2 4GUW ASG SER A 187 187 H AlphaHelix -59.15 -48.49 15.2 4GUW ASG LEU A 188 188 H AlphaHelix -63.55 -47.99 7.0 4GUW ASG GLU A 189 189 H AlphaHelix -49.99 -48.79 11.5 4GUW ASG ASN A 190 190 H AlphaHelix -66.89 -25.88 102.0 4GUW ASG SER A 191 191 H AlphaHelix -100.62 3.00 18.8 4GUW ASG TRP A 192 192 H AlphaHelix -61.80 -45.85 6.8 4GUW ASG SER A 193 193 H AlphaHelix -59.71 -49.34 44.6 4GUW ASG GLY A 194 194 H AlphaHelix -53.55 -58.38 32.3 4GUW ASG LEU A 195 195 H AlphaHelix -55.12 -48.02 0.4 4GUW ASG SER A 196 196 H AlphaHelix -55.32 -45.82 0.0 4GUW ASG LYS A 197 197 H AlphaHelix -65.09 -46.85 71.4 4GUW ASG GLN A 198 198 H AlphaHelix -64.83 -34.13 11.2 4GUW ASG ILE A 199 199 H AlphaHelix -67.62 -42.49 0.0 4GUW ASG GLN A 200 200 H AlphaHelix -64.07 -38.59 20.2 4GUW ASG LEU A 201 201 H AlphaHelix -75.09 -26.86 56.9 4GUW ASG ALA A 202 202 H AlphaHelix -59.51 -26.63 0.0 4GUW ASG GLN A 203 203 H AlphaHelix -54.85 -37.82 106.1 4GUW ASG GLY A 204 204 T Turn -106.09 26.17 67.3 4GUW ASG ASN A 205 205 T Turn -139.65 30.92 39.9 4GUW ASG ASN A 206 206 T Turn 58.87 32.91 159.0 4GUW ASG GLY A 207 207 T Turn 85.15 2.02 5.1 4GUW ASG VAL A 208 208 E Strand -98.73 128.06 69.6 4GUW ASG PHE A 209 209 E Strand -59.32 124.57 7.7 4GUW ASG ARG A 210 210 E Strand -51.69 -41.19 150.9 4GUW ASG THR A 211 211 E Strand -134.20 126.94 87.0 4GUW ASG PRO A 212 212 E Strand -70.15 147.51 57.7 4GUW ASG THR A 213 213 E Strand -105.10 130.52 17.6 4GUW ASG VAL A 214 214 E Strand -91.62 129.70 65.0 4GUW ASG LEU A 215 215 C Coil -128.54 160.23 4.8 4GUW ASG VAL A 216 216 C Coil -95.77 130.12 40.2 4GUW ASG ASP A 217 217 T Turn -83.14 171.08 46.4 4GUW ASG SER A 218 218 T Turn -50.07 -33.20 94.8 4GUW ASG LYS A 219 219 T Turn -85.47 5.30 173.3 4GUW ASG GLY A 220 220 T Turn 86.08 4.85 48.4 4GUW ASG ASN A 221 221 C Coil -94.02 148.39 99.3 4GUW ASG ARG A 222 222 C Coil -96.11 74.84 157.0 4GUW ASG VAL A 223 223 C Coil -61.34 159.39 55.2 4GUW ASG GLN A 224 224 E Strand -127.81 122.68 100.3 4GUW ASG ILE A 225 225 E Strand -100.66 124.66 6.7 4GUW ASG THR A 226 226 E Strand -122.05 -15.19 61.6 4GUW ASG ASN A 227 227 E Strand -159.75 164.31 46.7 4GUW ASG VAL A 228 228 T Turn -66.09 -8.47 22.8 4GUW ASG THR A 229 229 T Turn -78.88 -8.25 107.1 4GUW ASG SER A 230 230 T Turn -62.42 146.43 26.0 4GUW ASG ASN A 231 231 H AlphaHelix -60.48 -33.11 118.9 4GUW ASG VAL A 232 232 H AlphaHelix -56.06 -36.65 18.6 4GUW ASG VAL A 233 233 H AlphaHelix -88.36 -34.56 4.8 4GUW ASG THR A 234 234 H AlphaHelix -83.35 -21.63 86.9 4GUW ASG SER A 235 235 H AlphaHelix -128.80 -35.48 51.1 4GUW ASG ASN A 236 236 H AlphaHelix -91.21 -69.66 24.5 4GUW ASG ILE A 237 237 B Bridge -53.53 136.13 4.1 4GUW ASG GLN A 238 238 C Coil -120.04 -14.07 45.9 4GUW ASG LEU A 239 239 C Coil -145.54 141.92 3.8 4GUW ASG LEU A 240 240 B Bridge -115.49 127.04 0.0 4GUW ASG LEU A 241 241 C Coil -65.47 124.50 1.8 4GUW ASG ASN A 242 242 C Coil -60.76 138.00 12.0 4GUW ASG THR A 243 243 G 310Helix -63.51 -20.84 47.6 4GUW ASG LYS A 244 244 G 310Helix -56.72 -23.97 158.6 4GUW ASG ASN A 245 245 G 310Helix -102.32 14.48 68.8 4GUW ASG ILE A 246 246 C Coil -115.60 360.00 102.9 4GUW REM 4GUW REM ------------------ Mainchain hydrogen bonds ------------------------ 4GUW REM 4GUW REM Definition of Stickle et al., J.Mol.Biol. 226:1143-1159, 1992 4GUW REM A1 is the angle between the planes of donor complex and O..N-C 4GUW REM A2 is the angle between the planes of acceptor complex and N..O=C 4GUW REM 4GUW HBT 175 4GUW HBI 0 4GUW HBC 175 /home/proj/stride/tmp/tmp1yjT-Mpdb A 246 4GUW REM 4GUW REM |--Residue 1--| |--Residue 2--| N-O N..O=C O..N-C A1 A2 4GUW DNR VAL A 2 1 -> LEU A 49 48 3.1 163.8 106.7 2.2 6.7 4GUW ACC VAL A 2 1 -> HIS A 51 50 3.0 156.9 114.9 2.9 29.2 4GUW DNR PHE A 4 3 -> HIS A 51 50 3.0 169.0 103.1 11.1 33.1 4GUW ACC PHE A 4 3 -> PHE A 53 52 3.0 165.0 112.8 20.8 12.1 4GUW DNR LEU A 6 5 -> PHE A 53 52 3.0 154.6 124.5 13.3 65.6 4GUW ACC LEU A 6 5 -> ALA A 9 8 3.1 110.8 132.6 0.3 79.9 4GUW DNR ALA A 9 8 -> LEU A 6 5 3.1 110.8 132.6 0.3 79.9 4GUW ACC ASP A 10 9 -> SER A 13 12 3.1 120.8 107.9 55.3 89.3 4GUW ACC ASP A 10 9 -> TYR A 14 13 3.1 173.7 120.4 6.8 59.3 4GUW ACC PRO A 11 10 -> GLY A 15 14 3.0 148.1 128.4 14.2 73.2 4GUW ACC SER A 12 11 -> MET A 16 15 3.0 157.7 115.1 18.7 57.0 4GUW DNR SER A 13 12 -> ASP A 10 9 3.1 120.8 107.9 55.3 89.3 4GUW ACC SER A 13 12 -> MET A 16 15 3.4 98.9 122.8 59.3 88.5 4GUW ACC SER A 13 12 -> PHE A 17 16 3.1 146.3 115.2 23.7 63.2 4GUW DNR TYR A 14 13 -> ASP A 10 9 3.1 173.7 120.4 6.8 59.3 4GUW ACC TYR A 14 13 -> PHE A 17 16 3.1 111.5 121.1 55.0 88.8 4GUW ACC TYR A 14 13 -> ILE A 18 17 3.0 165.0 115.7 5.7 55.7 4GUW DNR GLY A 15 14 -> PRO A 11 10 3.0 148.1 128.4 14.2 73.2 4GUW ACC GLY A 15 14 -> LYS A 19 18 3.0 152.6 124.1 16.0 72.5 4GUW DNR MET A 16 15 -> SER A 12 11 3.0 157.7 115.1 18.7 57.0 4GUW DNR MET A 16 15 -> SER A 13 12 3.4 98.9 122.8 59.3 88.5 4GUW ACC MET A 16 15 -> ASP A 20 19 3.0 152.2 120.5 18.2 62.5 4GUW DNR PHE A 17 16 -> SER A 13 12 3.1 146.3 115.2 23.7 63.2 4GUW DNR PHE A 17 16 -> TYR A 14 13 3.1 111.5 121.1 55.0 88.8 4GUW ACC PHE A 17 16 -> LEU A 21 20 3.0 156.1 119.1 16.3 60.6 4GUW DNR ILE A 18 17 -> TYR A 14 13 3.0 165.0 115.7 5.7 55.7 4GUW ACC ILE A 18 17 -> ARG A 22 21 3.0 154.4 122.7 6.7 72.5 4GUW DNR LYS A 19 18 -> GLY A 15 14 3.0 152.6 124.1 16.0 72.5 4GUW ACC LYS A 19 18 -> ASN A 23 22 3.0 159.7 125.7 16.9 68.1 4GUW DNR ASP A 20 19 -> MET A 16 15 3.0 152.2 120.5 18.2 62.5 4GUW ACC ASP A 20 19 -> ALA A 24 23 3.0 151.4 113.0 41.2 69.1 4GUW DNR LEU A 21 20 -> PHE A 17 16 3.0 156.1 119.1 16.3 60.6 4GUW ACC LEU A 21 20 -> ALA A 24 23 3.1 112.8 131.0 35.8 86.7 4GUW DNR ARG A 22 21 -> ILE A 18 17 3.0 154.4 122.7 6.7 72.5 4GUW ACC ARG A 22 21 -> LEU A 25 24 3.0 121.5 131.6 0.7 73.7 4GUW DNR ASN A 23 22 -> LYS A 19 18 3.0 159.7 125.7 16.9 68.1 4GUW DNR ALA A 24 23 -> ASP A 20 19 3.0 151.4 113.0 41.2 69.1 4GUW DNR ALA A 24 23 -> LEU A 21 20 3.1 112.8 131.0 35.8 86.7 4GUW DNR LEU A 25 24 -> ARG A 22 21 3.0 121.5 131.6 0.7 73.7 4GUW ACC GLU A 29 28 -> LEU A 36 35 3.1 155.8 127.1 15.6 38.7 4GUW DNR VAL A 31 30 -> ILE A 34 33 3.0 138.7 109.0 1.0 60.8 4GUW ACC VAL A 31 30 -> ILE A 34 33 3.0 119.7 132.1 11.8 89.7 4GUW DNR ILE A 34 33 -> VAL A 31 30 3.0 119.7 132.1 11.8 89.7 4GUW ACC ILE A 34 33 -> VAL A 31 30 3.0 138.7 109.0 1.0 60.8 4GUW ACC PRO A 35 34 -> LEU A 240 239 3.0 169.5 116.9 28.2 32.3 4GUW DNR LEU A 36 35 -> GLU A 29 28 3.1 155.8 127.1 15.6 38.7 4GUW DNR LEU A 37 36 -> LEU A 240 239 3.0 157.8 128.4 12.6 12.9 4GUW ACC GLY A 43 42 -> ARG A 46 45 3.4 120.1 129.0 1.0 61.7 4GUW ACC ALA A 44 43 -> TYR A 47 46 3.1 128.7 127.6 5.5 64.5 4GUW DNR ARG A 46 45 -> GLY A 43 42 3.4 120.1 129.0 1.0 61.7 4GUW ACC ARG A 46 45 -> VAL A 66 65 3.0 167.6 116.0 13.1 69.9 4GUW DNR TYR A 47 46 -> ALA A 44 43 3.1 128.7 127.6 5.5 64.5 4GUW DNR LEU A 48 47 -> VAL A 64 63 3.0 156.3 113.5 7.2 21.4 4GUW ACC LEU A 48 47 -> VAL A 64 63 3.0 154.5 112.0 14.1 7.1 4GUW ACC LEU A 49 48 -> VAL A 2 1 3.1 163.8 106.7 2.2 6.7 4GUW DNR MET A 50 49 -> VAL A 62 61 3.0 154.4 116.5 3.7 21.8 4GUW ACC MET A 50 49 -> VAL A 62 61 3.0 146.7 112.5 4.9 35.7 4GUW DNR HIS A 51 50 -> VAL A 2 1 3.0 156.9 114.9 2.9 29.2 4GUW ACC HIS A 51 50 -> PHE A 4 3 3.0 169.0 103.1 11.1 33.1 4GUW DNR LEU A 52 51 -> ILE A 60 59 3.0 170.3 118.2 4.1 60.2 4GUW ACC LEU A 52 51 -> ILE A 60 59 3.0 162.0 103.9 13.8 6.8 4GUW DNR PHE A 53 52 -> PHE A 4 3 3.0 165.0 112.8 20.8 12.1 4GUW ACC PHE A 53 52 -> LEU A 6 5 3.0 154.6 124.5 13.3 65.6 4GUW DNR ASN A 54 53 -> ASN A 58 57 3.0 169.1 111.9 5.7 19.9 4GUW ACC ASN A 54 53 -> GLY A 57 56 3.0 120.4 133.9 6.0 77.7 4GUW DNR GLY A 57 56 -> ASN A 54 53 3.0 120.4 133.9 6.0 77.7 4GUW ACC ASN A 58 57 -> ASN A 54 53 3.0 169.1 111.9 5.7 19.9 4GUW DNR ILE A 60 59 -> LEU A 52 51 3.0 162.0 103.9 13.8 6.8 4GUW ACC ILE A 60 59 -> LEU A 52 51 3.0 170.3 118.2 4.1 60.2 4GUW DNR THR A 61 60 -> LEU A 75 74 3.0 143.9 104.6 5.0 5.2 4GUW ACC THR A 61 60 -> LEU A 75 74 3.0 156.5 106.0 4.3 10.9 4GUW DNR VAL A 62 61 -> MET A 50 49 3.0 146.7 112.5 4.9 35.7 4GUW ACC VAL A 62 61 -> MET A 50 49 3.0 154.4 116.5 3.7 21.8 4GUW DNR ALA A 63 62 -> GLY A 73 72 3.0 147.3 120.5 13.7 64.4 4GUW ACC ALA A 63 62 -> MET A 72 71 3.0 157.3 116.8 4.6 77.1 4GUW DNR VAL A 64 63 -> LEU A 48 47 3.0 154.5 112.0 14.1 7.1 4GUW ACC VAL A 64 63 -> LEU A 48 47 3.0 156.3 113.5 7.2 21.4 4GUW DNR ASP A 65 64 -> TYR A 70 69 3.0 154.7 113.5 6.0 44.1 4GUW ACC ASP A 65 64 -> ASN A 68 67 3.3 117.4 127.9 13.5 68.4 4GUW ACC ASP A 65 64 -> VAL A 69 68 3.0 167.5 133.6 39.0 86.4 4GUW DNR VAL A 66 65 -> ARG A 46 45 3.0 167.6 116.0 13.1 69.9 4GUW DNR ASN A 68 67 -> ASP A 65 64 3.3 117.4 127.9 13.5 68.4 4GUW DNR VAL A 69 68 -> ASP A 65 64 3.0 167.5 133.6 39.0 86.4 4GUW ACC TYR A 70 69 -> ASP A 65 64 3.0 154.7 113.5 6.0 44.1 4GUW DNR MET A 72 71 -> ALA A 63 62 3.0 157.3 116.8 4.6 77.1 4GUW ACC MET A 72 71 -> PHE A 83 82 3.1 157.2 110.7 8.0 62.8 4GUW ACC GLY A 73 72 -> ALA A 63 62 3.0 147.3 120.5 13.7 64.4 4GUW DNR TYR A 74 73 -> TYR A 81 80 3.0 155.6 97.8 1.8 0.9 4GUW ACC TYR A 74 73 -> TYR A 81 80 3.0 169.8 110.7 24.5 20.4 4GUW DNR LEU A 75 74 -> THR A 61 60 3.0 156.5 106.0 4.3 10.9 4GUW ACC LEU A 75 74 -> THR A 61 60 3.0 143.9 104.6 5.0 5.2 4GUW DNR ALA A 76 75 -> THR A 79 78 3.0 159.8 119.1 7.4 75.3 4GUW ACC ALA A 76 75 -> THR A 79 78 3.1 129.8 132.2 4.5 70.3 4GUW ACC THR A 78 77 -> ARG A 100 99 3.0 151.1 112.2 48.3 35.5 4GUW DNR THR A 79 78 -> ALA A 76 75 3.1 129.8 132.2 4.5 70.3 4GUW ACC THR A 79 78 -> ALA A 76 75 3.0 159.8 119.1 7.4 75.3 4GUW DNR SER A 80 79 -> ARG A 101 100 3.0 154.1 111.9 7.6 17.0 4GUW ACC SER A 80 79 -> ILE A 103 102 3.0 153.9 119.9 11.0 73.2 4GUW DNR TYR A 81 80 -> TYR A 74 73 3.0 169.8 110.7 24.5 20.4 4GUW ACC TYR A 81 80 -> TYR A 74 73 3.0 155.6 97.8 1.8 0.9 4GUW DNR PHE A 82 81 -> ILE A 103 102 3.0 164.5 102.7 5.2 27.0 4GUW ACC PHE A 82 81 -> LEU A 105 104 3.0 160.4 118.3 22.6 75.7 4GUW DNR PHE A 83 82 -> MET A 72 71 3.1 157.2 110.7 8.0 62.8 4GUW DNR ASN A 84 83 -> TYR A 107 106 3.0 125.4 123.1 0.3 56.5 4GUW ACC GLU A 85 84 -> ALA A 88 87 3.1 119.1 126.6 47.8 77.5 4GUW ACC GLU A 85 84 -> ASP A 89 88 3.0 164.5 115.9 11.5 16.3 4GUW ACC PRO A 86 85 -> LEU A 90 89 3.0 154.3 122.4 4.4 69.9 4GUW ACC ALA A 87 86 -> ALA A 91 90 3.1 144.0 118.8 17.6 59.3 4GUW DNR ALA A 88 87 -> GLU A 85 84 3.1 119.1 126.6 47.8 77.5 4GUW ACC ALA A 88 87 -> SER A 92 91 3.1 152.3 113.2 28.3 62.3 4GUW DNR ASP A 89 88 -> GLU A 85 84 3.0 164.5 115.9 11.5 16.3 4GUW ACC ASP A 89 88 -> SER A 92 91 3.0 114.0 127.8 46.4 85.1 4GUW DNR LEU A 90 89 -> PRO A 86 85 3.0 154.3 122.4 4.4 69.9 4GUW ACC LEU A 90 89 -> GLN A 93 92 3.0 124.6 135.7 13.0 80.0 4GUW DNR ALA A 91 90 -> ALA A 87 86 3.1 144.0 118.8 17.6 59.3 4GUW ACC ALA A 91 90 -> TYR A 94 93 3.0 126.9 128.3 7.1 76.8 4GUW ACC ALA A 91 90 -> VAL A 95 94 3.1 169.7 110.8 15.1 46.3 4GUW DNR SER A 92 91 -> ALA A 88 87 3.1 152.3 113.2 28.3 62.3 4GUW DNR SER A 92 91 -> ASP A 89 88 3.0 114.0 127.8 46.4 85.1 4GUW DNR GLN A 93 92 -> LEU A 90 89 3.0 124.6 135.7 13.0 80.0 4GUW DNR TYR A 94 93 -> ALA A 91 90 3.0 126.9 128.3 7.1 76.8 4GUW DNR VAL A 95 94 -> ALA A 91 90 3.1 169.7 110.8 15.1 46.3 4GUW ACC PHE A 96 95 -> ALA A 99 98 3.0 130.6 126.6 6.1 80.1 4GUW DNR ALA A 99 98 -> PHE A 96 95 3.0 130.6 126.6 6.1 80.1 4GUW DNR ARG A 100 99 -> THR A 78 77 3.0 151.1 112.2 48.3 35.5 4GUW ACC ARG A 101 100 -> SER A 80 79 3.0 154.1 111.9 7.6 17.0 4GUW DNR ILE A 103 102 -> SER A 80 79 3.0 153.9 119.9 11.0 73.2 4GUW ACC ILE A 103 102 -> PHE A 82 81 3.0 164.5 102.7 5.2 27.0 4GUW DNR LEU A 105 104 -> PHE A 82 81 3.0 160.4 118.3 22.6 75.7 4GUW ACC TYR A 107 106 -> ASN A 84 83 3.0 125.4 123.1 0.3 56.5 4GUW ACC ASN A 110 109 -> LEU A 114 113 3.0 166.9 118.5 15.0 20.2 4GUW ACC TYR A 111 110 -> LEU A 114 113 3.3 103.3 116.5 57.1 84.8 4GUW ACC TYR A 111 110 -> GLN A 115 114 3.0 155.5 124.0 9.0 85.1 4GUW ACC GLU A 112 111 -> ILE A 116 115 3.1 152.2 120.9 26.0 65.0 4GUW ACC ARG A 113 112 -> ILE A 116 115 3.2 102.7 124.5 56.7 83.5 4GUW ACC ARG A 113 112 -> ALA A 117 116 3.0 154.7 119.7 10.1 65.4 4GUW DNR LEU A 114 113 -> ASN A 110 109 3.0 166.9 118.5 15.0 20.2 4GUW DNR LEU A 114 113 -> TYR A 111 110 3.3 103.3 116.5 57.1 84.8 4GUW ACC LEU A 114 113 -> ALA A 118 117 3.0 151.2 118.2 29.8 52.0 4GUW DNR GLN A 115 114 -> TYR A 111 110 3.0 155.5 124.0 9.0 85.1 4GUW ACC GLN A 115 114 -> ALA A 118 117 3.3 103.0 121.5 52.8 88.1 4GUW ACC GLN A 115 114 -> GLY A 119 118 3.0 153.2 118.2 43.4 79.4 4GUW ACC GLN A 115 114 -> LYS A 120 119 3.3 148.0 106.3 28.7 32.7 4GUW DNR ILE A 116 115 -> GLU A 112 111 3.1 152.2 120.9 26.0 65.0 4GUW DNR ILE A 116 115 -> ARG A 113 112 3.2 102.7 124.5 56.7 83.5 4GUW ACC ILE A 116 115 -> GLY A 119 118 3.2 109.0 128.3 34.5 83.4 4GUW DNR ALA A 117 116 -> ARG A 113 112 3.0 154.7 119.7 10.1 65.4 4GUW DNR ALA A 118 117 -> LEU A 114 113 3.0 151.2 118.2 29.8 52.0 4GUW DNR ALA A 118 117 -> GLN A 115 114 3.3 103.0 121.5 52.8 88.1 4GUW DNR GLY A 119 118 -> GLN A 115 114 3.0 153.2 118.2 43.4 79.4 4GUW DNR GLY A 119 118 -> ILE A 116 115 3.2 109.0 128.3 34.5 83.4 4GUW DNR LYS A 120 119 -> GLN A 115 114 3.3 148.0 106.3 28.7 32.7 4GUW ACC PRO A 121 120 -> LYS A 124 123 3.0 131.3 132.6 8.4 67.6 4GUW ACC ARG A 122 121 -> ILE A 125 124 3.0 115.5 125.1 8.6 86.8 4GUW DNR LYS A 124 123 -> PRO A 121 120 3.0 131.3 132.6 8.4 67.6 4GUW DNR ILE A 125 124 -> ARG A 122 121 3.0 115.5 125.1 8.6 86.8 4GUW DNR ILE A 127 126 -> GLU A 179 178 3.1 113.8 123.0 8.4 84.3 4GUW ACC ILE A 127 126 -> GLU A 179 178 3.0 149.9 105.9 5.2 23.6 4GUW ACC GLY A 128 127 -> LEU A 132 131 3.0 149.8 116.3 23.8 51.7 4GUW DNR LEU A 129 128 -> ARG A 174 173 3.0 142.6 110.6 15.6 80.6 4GUW ACC LEU A 129 128 -> LEU A 132 131 3.1 110.5 120.7 58.1 87.5 4GUW ACC LEU A 129 128 -> ASP A 133 132 3.0 161.3 113.7 13.0 51.4 4GUW ACC PRO A 130 129 -> THR A 134 133 3.0 156.8 115.7 11.6 49.2 4GUW ACC ALA A 131 130 -> ALA A 135 134 3.0 148.8 118.3 28.7 54.1 4GUW DNR LEU A 132 131 -> GLY A 128 127 3.0 149.8 116.3 23.8 51.7 4GUW DNR LEU A 132 131 -> LEU A 129 128 3.1 110.5 120.7 58.1 87.5 4GUW ACC LEU A 132 131 -> ALA A 135 134 3.1 105.2 119.0 55.2 86.8 4GUW ACC LEU A 132 131 -> ILE A 136 135 3.0 158.8 117.4 6.8 81.0 4GUW DNR ASP A 133 132 -> LEU A 129 128 3.0 161.3 113.7 13.0 51.4 4GUW ACC ASP A 133 132 -> SER A 137 136 3.0 156.4 122.9 11.8 55.3 4GUW DNR THR A 134 133 -> PRO A 130 129 3.0 156.8 115.7 11.6 49.2 4GUW ACC THR A 134 133 -> THR A 138 137 3.0 156.1 119.2 13.3 59.5 4GUW DNR ALA A 135 134 -> ALA A 131 130 3.0 148.8 118.3 28.7 54.1 4GUW DNR ALA A 135 134 -> LEU A 132 131 3.1 105.2 119.0 55.2 86.8 4GUW ACC ALA A 135 134 -> LEU A 139 138 3.0 155.8 118.9 23.7 66.4 4GUW DNR ILE A 136 135 -> LEU A 132 131 3.0 158.8 117.4 6.8 81.0 4GUW ACC ILE A 136 135 -> LEU A 139 138 3.1 108.4 119.6 53.5 85.2 4GUW ACC ILE A 136 135 -> LEU A 140 139 3.2 155.0 106.0 46.2 54.4 4GUW DNR SER A 137 136 -> ASP A 133 132 3.0 156.4 122.9 11.8 55.3 4GUW ACC SER A 137 136 -> LEU A 140 139 3.2 108.6 133.6 22.2 74.9 4GUW DNR THR A 138 137 -> THR A 134 133 3.0 156.1 119.2 13.3 59.5 4GUW ACC THR A 138 137 -> HIS A 141 140 3.4 122.5 123.4 24.2 65.6 4GUW DNR LEU A 139 138 -> ALA A 135 134 3.0 155.8 118.9 23.7 66.4 4GUW DNR LEU A 139 138 -> ILE A 136 135 3.1 108.4 119.6 53.5 85.2 4GUW DNR LEU A 140 139 -> ILE A 136 135 3.2 155.0 106.0 46.2 54.4 4GUW DNR LEU A 140 139 -> SER A 137 136 3.2 108.6 133.6 22.2 74.9 4GUW DNR HIS A 141 140 -> THR A 138 137 3.4 122.5 123.4 24.2 65.6 4GUW ACC ASP A 143 142 -> ALA A 147 146 3.0 167.4 127.1 25.0 39.0 4GUW ACC SER A 144 143 -> ALA A 147 146 3.4 95.8 121.7 58.5 84.9 4GUW ACC SER A 144 143 -> ALA A 148 147 3.2 146.1 115.1 24.8 77.8 4GUW ACC THR A 145 144 -> ALA A 148 147 3.3 108.9 120.0 47.2 86.2 4GUW ACC ALA A 146 145 -> GLY A 149 148 3.4 113.9 115.8 57.7 75.4 4GUW ACC ALA A 146 145 -> ALA A 150 149 3.0 155.4 120.1 14.6 25.1 4GUW DNR ALA A 147 146 -> ASP A 143 142 3.0 167.4 127.1 25.0 39.0 4GUW DNR ALA A 147 146 -> SER A 144 143 3.4 95.8 121.7 58.5 84.9 4GUW ACC ALA A 147 146 -> LEU A 151 150 3.0 153.0 121.7 26.4 78.7 4GUW DNR ALA A 148 147 -> SER A 144 143 3.2 146.1 115.1 24.8 77.8 4GUW DNR ALA A 148 147 -> THR A 145 144 3.3 108.9 120.0 47.2 86.2 4GUW ACC ALA A 148 147 -> LEU A 151 150 3.3 97.8 124.6 55.9 83.2 4GUW ACC ALA A 148 147 -> LEU A 152 151 3.0 148.0 118.0 17.7 64.1 4GUW DNR GLY A 149 148 -> ALA A 146 145 3.4 113.9 115.8 57.7 75.4 4GUW ACC GLY A 149 148 -> VAL A 153 152 3.1 154.5 113.6 16.9 54.3 4GUW DNR ALA A 150 149 -> ALA A 146 145 3.0 155.4 120.1 14.6 25.1 4GUW ACC ALA A 150 149 -> VAL A 153 152 3.1 108.2 123.4 58.1 79.7 4GUW ACC ALA A 150 149 -> LEU A 154 153 3.0 155.6 118.5 17.1 36.2 4GUW DNR LEU A 151 150 -> ALA A 147 146 3.0 153.0 121.7 26.4 78.7 4GUW DNR LEU A 151 150 -> ALA A 148 147 3.3 97.8 124.6 55.9 83.2 4GUW ACC LEU A 151 150 -> ILE A 155 154 3.0 158.4 124.1 11.9 84.9 4GUW DNR LEU A 152 151 -> ALA A 148 147 3.0 148.0 118.0 17.7 64.1 4GUW ACC LEU A 152 151 -> GLN A 156 155 3.3 143.1 126.1 16.2 75.7 4GUW DNR VAL A 153 152 -> GLY A 149 148 3.1 154.5 113.6 16.9 54.3 4GUW DNR VAL A 153 152 -> ALA A 150 149 3.1 108.2 123.4 58.1 79.7 4GUW ACC VAL A 153 152 -> GLN A 156 155 3.3 108.2 116.7 57.2 77.8 4GUW ACC VAL A 153 152 -> THR A 157 156 3.0 159.7 123.0 22.8 63.2 4GUW DNR LEU A 154 153 -> ALA A 150 149 3.0 155.6 118.5 17.1 36.2 4GUW ACC LEU A 154 153 -> THR A 157 156 3.3 107.0 116.2 51.7 86.4 4GUW ACC LEU A 154 153 -> THR A 158 157 3.1 157.0 112.3 48.9 74.5 4GUW DNR ILE A 155 154 -> LEU A 151 150 3.0 158.4 124.1 11.9 84.9 4GUW ACC ILE A 155 154 -> THR A 158 157 3.5 103.4 128.1 21.5 77.3 4GUW ACC ILE A 155 154 -> GLU A 160 159 3.1 158.6 113.7 10.3 34.3 4GUW DNR GLN A 156 155 -> LEU A 152 151 3.3 143.1 126.1 16.2 75.7 4GUW DNR GLN A 156 155 -> VAL A 153 152 3.3 108.2 116.7 57.2 77.8 4GUW ACC GLN A 156 155 -> ALA A 161 160 3.4 141.3 109.1 39.6 86.6 4GUW DNR THR A 157 156 -> VAL A 153 152 3.0 159.7 123.0 22.8 63.2 4GUW DNR THR A 157 156 -> LEU A 154 153 3.3 107.0 116.2 51.7 86.4 4GUW DNR THR A 158 157 -> LEU A 154 153 3.1 157.0 112.3 48.9 74.5 4GUW DNR THR A 158 157 -> ILE A 155 154 3.5 103.4 128.1 21.5 77.3 4GUW ACC THR A 158 157 -> ALA A 162 161 3.0 163.4 121.1 16.3 15.6 4GUW ACC ALA A 159 158 -> ARG A 163 162 3.0 158.0 111.6 26.9 48.6 4GUW DNR GLU A 160 159 -> ILE A 155 154 3.1 158.6 113.7 10.3 34.3 4GUW ACC GLU A 160 159 -> ARG A 163 162 3.2 103.8 124.1 50.8 85.6 4GUW ACC GLU A 160 159 -> PHE A 164 163 3.1 154.8 111.5 33.8 60.0 4GUW DNR ALA A 161 160 -> GLN A 156 155 3.4 141.3 109.1 39.6 86.6 4GUW ACC ALA A 161 160 -> PHE A 164 163 3.5 100.3 118.0 39.6 87.2 4GUW DNR ALA A 162 161 -> THR A 158 157 3.0 163.4 121.1 16.3 15.6 4GUW DNR ARG A 163 162 -> ALA A 159 158 3.0 158.0 111.6 26.9 48.6 4GUW DNR ARG A 163 162 -> GLU A 160 159 3.2 103.8 124.1 50.8 85.6 4GUW ACC ARG A 163 162 -> GLN A 238 237 3.0 139.9 115.6 19.8 89.3 4GUW DNR PHE A 164 163 -> GLU A 160 159 3.1 154.8 111.5 33.8 60.0 4GUW DNR PHE A 164 163 -> ALA A 161 160 3.5 100.3 118.0 39.6 87.2 4GUW ACC PHE A 164 163 -> ILE A 167 166 3.0 117.8 124.8 47.1 84.5 4GUW ACC PHE A 164 163 -> GLU A 168 167 3.1 159.4 111.8 11.4 23.5 4GUW DNR LYS A 165 164 -> ASN A 236 235 3.0 126.9 119.9 0.8 57.9 4GUW ACC LYS A 165 164 -> GLN A 169 168 3.0 160.0 118.0 10.8 61.0 4GUW ACC TYR A 166 165 -> GLN A 170 169 3.0 152.1 118.0 20.1 55.6 4GUW DNR ILE A 167 166 -> PHE A 164 163 3.0 117.8 124.8 47.1 84.5 4GUW ACC ILE A 167 166 -> ILE A 171 170 3.0 160.2 116.8 15.7 67.5 4GUW DNR GLU A 168 167 -> PHE A 164 163 3.1 159.4 111.8 11.4 23.5 4GUW ACC GLU A 168 167 -> ILE A 171 170 3.3 108.7 122.8 58.6 84.7 4GUW ACC GLU A 168 167 -> GLN A 172 171 3.0 154.5 118.5 20.3 46.3 4GUW DNR GLN A 169 168 -> LYS A 165 164 3.0 160.0 118.0 10.8 61.0 4GUW ACC GLN A 169 168 -> GLU A 173 172 3.0 153.0 116.0 22.6 71.9 4GUW DNR GLN A 170 169 -> TYR A 166 165 3.0 152.1 118.0 20.1 55.6 4GUW ACC GLN A 170 169 -> GLU A 173 172 3.3 101.0 125.3 54.9 82.4 4GUW ACC GLN A 170 169 -> ARG A 174 173 3.3 139.9 106.3 44.6 49.7 4GUW DNR ILE A 171 170 -> ILE A 167 166 3.0 160.2 116.8 15.7 67.5 4GUW DNR ILE A 171 170 -> GLU A 168 167 3.3 108.7 122.8 58.6 84.7 4GUW ACC ILE A 171 170 -> ARG A 174 173 3.0 112.0 134.7 36.1 85.4 4GUW DNR GLN A 172 171 -> GLU A 168 167 3.0 154.5 118.5 20.3 46.3 4GUW ACC GLN A 172 171 -> ALA A 175 174 3.3 107.9 122.3 47.6 83.9 4GUW DNR GLU A 173 172 -> GLN A 169 168 3.0 153.0 116.0 22.6 71.9 4GUW DNR GLU A 173 172 -> GLN A 170 169 3.3 101.0 125.3 54.9 82.4 4GUW DNR ARG A 174 173 -> GLN A 170 169 3.3 139.9 106.3 44.6 49.7 4GUW DNR ARG A 174 173 -> ILE A 171 170 3.0 112.0 134.7 36.1 85.4 4GUW ACC ARG A 174 173 -> LEU A 129 128 3.0 142.6 110.6 15.6 80.6 4GUW DNR ALA A 175 174 -> GLN A 172 171 3.3 107.9 122.3 47.6 83.9 4GUW DNR GLU A 179 178 -> ILE A 127 126 3.0 149.9 105.9 5.2 23.6 4GUW ACC GLU A 179 178 -> ILE A 127 126 3.1 113.8 123.0 8.4 84.3 4GUW ACC SER A 182 181 -> THR A 185 184 3.0 112.2 121.9 58.9 89.3 4GUW ACC SER A 182 181 -> ILE A 186 185 3.2 160.3 109.3 5.0 40.3 4GUW ACC SER A 183 182 -> SER A 187 186 3.0 158.3 124.4 17.5 59.1 4GUW ACC ALA A 184 183 -> LEU A 188 187 3.0 160.9 116.4 14.6 67.2 4GUW DNR THR A 185 184 -> SER A 182 181 3.0 112.2 121.9 58.9 89.3 4GUW ACC THR A 185 184 -> LEU A 188 187 3.2 108.4 114.8 58.0 87.0 4GUW ACC THR A 185 184 -> GLU A 189 188 3.0 161.4 122.2 1.2 68.0 4GUW DNR ILE A 186 185 -> SER A 182 181 3.2 160.3 109.3 5.0 40.3 4GUW ACC ILE A 186 185 -> ASN A 190 189 3.1 156.0 122.8 13.2 66.8 4GUW DNR SER A 187 186 -> SER A 183 182 3.0 158.3 124.4 17.5 59.1 4GUW ACC SER A 187 186 -> SER A 191 190 3.0 153.0 111.5 46.5 41.2 4GUW DNR LEU A 188 187 -> ALA A 184 183 3.0 160.9 116.4 14.6 67.2 4GUW DNR LEU A 188 187 -> THR A 185 184 3.2 108.4 114.8 58.0 87.0 4GUW ACC LEU A 188 187 -> SER A 191 190 3.0 110.7 127.7 34.8 86.8 4GUW DNR GLU A 189 188 -> THR A 185 184 3.0 161.4 122.2 1.2 68.0 4GUW DNR ASN A 190 189 -> ILE A 186 185 3.1 156.0 122.8 13.2 66.8 4GUW DNR SER A 191 190 -> SER A 187 186 3.0 153.0 111.5 46.5 41.2 4GUW DNR SER A 191 190 -> LEU A 188 187 3.0 110.7 127.7 34.8 86.8 4GUW ACC SER A 191 190 -> LEU A 195 194 3.0 173.0 121.9 4.8 89.3 4GUW ACC TRP A 192 191 -> SER A 196 195 3.0 150.4 125.8 10.7 69.8 4GUW ACC SER A 193 192 -> LYS A 197 196 3.0 157.1 121.9 13.0 58.1 4GUW ACC GLY A 194 193 -> GLN A 198 197 3.0 164.0 117.5 11.9 30.0 4GUW DNR LEU A 195 194 -> SER A 191 190 3.0 173.0 121.9 4.8 89.3 4GUW ACC LEU A 195 194 -> ILE A 199 198 3.0 156.7 121.3 15.6 78.6 4GUW DNR SER A 196 195 -> TRP A 192 191 3.0 150.4 125.8 10.7 69.8 4GUW ACC SER A 196 195 -> GLN A 200 199 3.2 152.0 123.0 12.8 62.6 4GUW DNR LYS A 197 196 -> SER A 193 192 3.0 157.1 121.9 13.0 58.1 4GUW ACC LYS A 197 196 -> LEU A 201 200 3.0 159.7 116.7 23.9 39.2 4GUW DNR GLN A 198 197 -> GLY A 194 193 3.0 164.0 117.5 11.9 30.0 4GUW ACC GLN A 198 197 -> LEU A 201 200 3.3 96.6 120.8 57.6 86.3 4GUW ACC GLN A 198 197 -> ALA A 202 201 3.0 146.8 121.1 27.0 75.5 4GUW DNR ILE A 199 198 -> LEU A 195 194 3.0 156.7 121.3 15.6 78.6 4GUW ACC ILE A 199 198 -> ALA A 202 201 3.5 100.5 124.4 54.5 86.0 4GUW DNR GLN A 200 199 -> SER A 196 195 3.2 152.0 123.0 12.8 62.6 4GUW ACC GLN A 200 199 -> GLN A 203 202 3.2 116.4 132.3 20.3 74.6 4GUW DNR LEU A 201 200 -> LYS A 197 196 3.0 159.7 116.7 23.9 39.2 4GUW DNR LEU A 201 200 -> GLN A 198 197 3.3 96.6 120.8 57.6 86.3 4GUW DNR ALA A 202 201 -> GLN A 198 197 3.0 146.8 121.1 27.0 75.5 4GUW DNR ALA A 202 201 -> ILE A 199 198 3.5 100.5 124.4 54.5 86.0 4GUW ACC ALA A 202 201 -> ASN A 205 204 3.0 112.5 130.1 9.4 89.9 4GUW ACC ALA A 202 201 -> GLY A 207 206 3.0 136.0 136.6 3.8 42.1 4GUW DNR GLN A 203 202 -> GLN A 200 199 3.2 116.4 132.3 20.3 74.6 4GUW DNR ASN A 205 204 -> ALA A 202 201 3.0 112.5 130.1 9.4 89.9 4GUW ACC ASN A 205 204 -> VAL A 208 207 3.1 118.7 130.8 17.0 73.9 4GUW DNR GLY A 207 206 -> ALA A 202 201 3.0 136.0 136.6 3.8 42.1 4GUW ACC GLY A 207 206 -> VAL A 228 227 3.0 161.8 110.2 9.5 2.7 4GUW DNR VAL A 208 207 -> ASN A 205 204 3.1 118.7 130.8 17.0 73.9 4GUW DNR PHE A 209 208 -> THR A 226 225 3.0 137.6 126.3 23.0 60.8 4GUW DNR THR A 213 212 -> ILE A 225 224 3.1 150.3 106.9 13.8 0.7 4GUW ACC THR A 213 212 -> ILE A 225 224 3.0 158.2 120.4 6.1 46.1 4GUW DNR LEU A 215 214 -> VAL A 223 222 3.0 148.5 115.2 12.4 77.1 4GUW DNR ASP A 217 216 -> ASN A 221 220 3.0 159.1 121.6 0.7 65.4 4GUW ACC ASP A 217 216 -> GLY A 220 219 3.0 125.7 134.7 10.6 77.1 4GUW DNR GLY A 220 219 -> ASP A 217 216 3.0 125.7 134.7 10.6 77.1 4GUW ACC ASN A 221 220 -> ASP A 217 216 3.0 159.1 121.6 0.7 65.4 4GUW ACC VAL A 223 222 -> LEU A 215 214 3.0 148.5 115.2 12.4 77.1 4GUW DNR ILE A 225 224 -> THR A 213 212 3.0 158.2 120.4 6.1 46.1 4GUW ACC ILE A 225 224 -> THR A 213 212 3.1 150.3 106.9 13.8 0.7 4GUW ACC THR A 226 225 -> PHE A 209 208 3.0 137.6 126.3 23.0 60.8 4GUW ACC ASN A 227 226 -> SER A 230 229 3.2 127.9 129.6 4.0 57.9 4GUW DNR VAL A 228 227 -> GLY A 207 206 3.0 161.8 110.2 9.5 2.7 4GUW DNR SER A 230 229 -> ASN A 227 226 3.2 127.9 129.6 4.0 57.9 4GUW ACC SER A 230 229 -> VAL A 233 232 3.0 120.5 129.6 40.6 79.2 4GUW ACC SER A 230 229 -> THR A 234 233 3.0 158.8 113.0 18.4 6.0 4GUW ACC ASN A 231 230 -> THR A 234 233 3.3 101.5 106.6 53.7 81.9 4GUW ACC ASN A 231 230 -> SER A 235 234 3.0 146.5 132.0 26.6 49.1 4GUW ACC ASN A 231 230 -> ASN A 236 235 3.3 159.4 110.4 27.7 27.2 4GUW ACC VAL A 232 231 -> ILE A 237 236 3.0 161.0 119.9 9.2 39.5 4GUW DNR VAL A 233 232 -> SER A 230 229 3.0 120.5 129.6 40.6 79.2 4GUW DNR THR A 234 233 -> SER A 230 229 3.0 158.8 113.0 18.4 6.0 4GUW DNR THR A 234 233 -> ASN A 231 230 3.3 101.5 106.6 53.7 81.9 4GUW DNR SER A 235 234 -> ASN A 231 230 3.0 146.5 132.0 26.6 49.1 4GUW DNR ASN A 236 235 -> ASN A 231 230 3.3 159.4 110.4 27.7 27.2 4GUW ACC ASN A 236 235 -> LYS A 165 164 3.0 126.9 119.9 0.8 57.9 4GUW DNR ILE A 237 236 -> VAL A 232 231 3.0 161.0 119.9 9.2 39.5 4GUW DNR GLN A 238 237 -> ARG A 163 162 3.0 139.9 115.6 19.8 89.3 4GUW DNR LEU A 240 239 -> PRO A 35 34 3.0 169.5 116.9 28.2 32.3 4GUW ACC LEU A 240 239 -> LEU A 37 36 3.0 157.8 128.4 12.6 12.9 4GUW ACC ASN A 242 241 -> ASN A 245 244 3.0 126.7 132.5 11.1 72.6 4GUW ACC THR A 243 242 -> ILE A 246 245 3.2 112.1 127.1 13.0 85.8 4GUW DNR ASN A 245 244 -> ASN A 242 241 3.0 126.7 132.5 11.1 72.6 4GUW DNR ILE A 246 245 -> THR A 243 242 3.2 112.1 127.1 13.0 85.8 4GUW