REM -------------------------------------------------------------------- 1B56 REM 1B56 REM STRIDE: Knowledge-based secondary structure assignment 1B56 REM Please cite: D.Frishman & P.Argos, Proteins XX, XXX-XXX, 1995 1B56 REM 1B56 REM Residue accessible surface area calculation 1B56 REM Please cite: F.Eisenhaber & P.Argos, J.Comp.Chem. 14, 1272-1280, 1993 1B56 REM F.Eisenhaber et al., J.Comp.Chem., 1994, submitted 1B56 REM 1B56 REM ------------------------ General information ----------------------- 1B56 REM 1B56 HDR LIPID BINDING PROTEIN 12-JAN-99 1B56 1B56 CMP MOL_ID: 1; 1B56 CMP MOLECULE: FATTY ACID BINDING PROTEIN; 1B56 CMP CHAIN: A; 1B56 CMP ENGINEERED: YES 1B56 SRC MOL_ID: 1; 1B56 SRC ORGANISM_SCIENTIFIC: HOMO SAPIENS; 1B56 SRC ORGANISM_COMMON: HUMAN; 1B56 SRC ORGANISM_TAXID: 9606; 1B56 SRC ORGAN: EPIDERMIS; 1B56 SRC EXPRESSION_SYSTEM: ESCHERICHIA COLI; 1B56 SRC EXPRESSION_SYSTEM_TAXID: 562 1B56 AUT H.VAN TILBEURGH,C.HOHOFF,T.BORCHERS,F.SPENER 1B56 REM 1B56 REM -------------------- Secondary structure summary ------------------- 1B56 REM 1B56 CHN /home/proj/stride/tmp/tmpnkObACpdb A 1B56 REM 1B56 REM . . . . . 1B56 SEQ 1 TVQQLEGRWRLVDSKGFDEYMKELGVGIALRKMGAMAKPDCIITCDGKNL 50 1B56 STR GGGG EEEEEEEEETHHHHHHHH HHHHHHHHH EEEEEEETTEE 1B56 REM 1B56 REM . . . . . 1B56 SEQ 51 TIKTESTLKTTQFSCTLGEKFEETTADGRKTQTVCNFTDGALVQHQEWDG 100 1B56 STR EEEEETTTTEEEEEEETTEEEEEEETTTEEEEEEEEEETTEEEEEEEETT 1B56 REM 1B56 REM . . . 1B56 SEQ 101 KESTITRKLKDGKLVVECVMNNVTCTRIYEKVE 133 1B56 STR EEEEEEEEEETTEEEEEEEETTEEEEEEEEE 1B56 REM 1B56 REM 1B56 REM 1B56 LOC AlphaHelix PHE 19 A LEU 26 A 1B56 LOC AlphaHelix ILE 30 A MET 38 A 1B56 LOC 310Helix VAL 4 A LEU 7 A 1B56 LOC Strand GLY 9 A LYS 17 A 1B56 LOC Strand ASP 42 A ASP 48 A 1B56 LOC Strand ASN 51 A GLU 57 A 1B56 LOC Strand THR 62 A THR 68 A 1B56 LOC Strand GLU 71 A THR 77 A 1B56 LOC Strand ARG 81 A THR 90 A 1B56 LOC Strand ALA 93 A TRP 100 A 1B56 LOC Strand LYS 103 A LYS 112 A 1B56 LOC Strand LYS 115 A MET 122 A 1B56 LOC Strand VAL 125 A LYS 133 A 1B56 LOC TurnIV SER 16 A PHE 19 A 1B56 LOC TurnIV CYS 47 A LYS 50 A 1B56 LOC TurnII' ASP 48 A ASN 51 A 1B56 LOC TurnI SER 58 A LYS 61 A 1B56 LOC TurnII THR 68 A GLU 71 A 1B56 LOC TurnI THR 77 A GLY 80 A 1B56 LOC TurnIV PHE 89 A GLY 92 A 1B56 LOC TurnI' THR 90 A ALA 93 A 1B56 LOC TurnIV GLU 99 A GLY 102 A 1B56 LOC TurnI' TRP 100 A LYS 103 A 1B56 LOC TurnIV LEU 111 A GLY 114 A 1B56 LOC TurnI' LYS 112 A LYS 115 A 1B56 LOC TurnIV VAL 121 A ASN 124 A 1B56 LOC TurnI' MET 122 A VAL 125 A 1B56 LOC Disulfide CYS 120 A CYS 127 A PDB 1B56 REM 1B56 REM --------------- Detailed secondary structure assignment------------- 1B56 REM 1B56 REM |---Residue---| |--Structure--| |-Phi-| |-Psi-| |-Area-| 1B56 ASG THR A 3 1 C Coil 360.00 143.63 69.9 1B56 ASG VAL A 4 2 G 310Helix -58.43 -29.77 22.7 1B56 ASG GLN A 5 3 G 310Helix -58.57 -31.05 135.1 1B56 ASG GLN A 6 4 G 310Helix -64.90 -7.06 131.7 1B56 ASG LEU A 7 5 G 310Helix -98.62 -8.62 4.0 1B56 ASG GLU A 8 6 C Coil -64.30 143.00 70.1 1B56 ASG GLY A 9 7 E Strand 130.48 173.92 17.3 1B56 ASG ARG A 10 8 E Strand -95.99 123.85 88.5 1B56 ASG TRP A 11 9 E Strand -115.24 145.48 6.2 1B56 ASG ARG A 12 10 E Strand -115.13 141.95 100.2 1B56 ASG LEU A 13 11 E Strand -71.79 123.56 27.1 1B56 ASG VAL A 14 12 E Strand -108.10 -24.81 63.1 1B56 ASG ASP A 15 13 E Strand -156.67 147.03 75.9 1B56 ASG SER A 16 14 E Strand -134.97 148.61 45.6 1B56 ASG LYS A 17 15 E Strand -157.11 125.88 121.7 1B56 ASG GLY A 18 16 T Turn 82.11 -8.65 30.3 1B56 ASG PHE A 19 17 H AlphaHelix -53.92 -43.53 42.6 1B56 ASG ASP A 20 18 H AlphaHelix -63.26 -35.17 61.7 1B56 ASG GLU A 21 19 H AlphaHelix -67.68 -39.33 99.4 1B56 ASG TYR A 22 20 H AlphaHelix -63.01 -56.36 10.0 1B56 ASG MET A 23 21 H AlphaHelix -50.37 -42.78 13.4 1B56 ASG LYS A 24 22 H AlphaHelix -60.59 -45.93 93.2 1B56 ASG GLU A 25 23 H AlphaHelix -57.19 -36.86 70.9 1B56 ASG LEU A 26 24 H AlphaHelix -71.67 -31.71 33.4 1B56 ASG GLY A 27 25 C Coil 107.45 10.63 63.1 1B56 ASG VAL A 28 26 C Coil -66.17 135.60 14.9 1B56 ASG GLY A 29 27 C Coil -78.57 171.92 39.2 1B56 ASG ILE A 30 28 H AlphaHelix -54.54 -42.66 94.8 1B56 ASG ALA A 31 29 H AlphaHelix -47.70 -57.73 71.6 1B56 ASG LEU A 32 30 H AlphaHelix -73.63 -36.91 65.4 1B56 ASG ARG A 33 31 H AlphaHelix -59.06 -38.84 51.9 1B56 ASG LYS A 34 32 H AlphaHelix -71.09 -42.49 118.6 1B56 ASG MET A 35 33 H AlphaHelix -58.89 -52.62 39.7 1B56 ASG GLY A 36 34 H AlphaHelix -60.21 -48.57 14.0 1B56 ASG ALA A 37 35 H AlphaHelix -61.32 -20.77 61.8 1B56 ASG MET A 38 36 H AlphaHelix -118.16 -5.03 112.5 1B56 ASG ALA A 39 37 C Coil -83.91 139.68 14.1 1B56 ASG LYS A 40 38 C Coil -114.91 75.84 156.0 1B56 ASG PRO A 41 39 C Coil -70.32 165.53 8.2 1B56 ASG ASP A 42 40 E Strand -106.75 143.33 36.3 1B56 ASG CYS A 43 41 E Strand -122.48 108.53 3.4 1B56 ASG ILE A 44 42 E Strand -97.24 123.85 29.5 1B56 ASG ILE A 45 43 E Strand -119.08 125.08 1.6 1B56 ASG THR A 46 44 E Strand -135.92 145.75 63.0 1B56 ASG CYS A 47 45 E Strand -126.28 150.92 27.4 1B56 ASG ASP A 48 46 E Strand -141.35 91.25 133.0 1B56 ASG GLY A 49 47 T Turn 74.74 -96.51 72.1 1B56 ASG LYS A 50 48 T Turn -118.71 -14.49 131.9 1B56 ASG ASN A 51 49 E Strand -75.18 143.70 71.3 1B56 ASG LEU A 52 50 E Strand -145.95 135.88 2.0 1B56 ASG THR A 53 51 E Strand -120.39 138.88 23.8 1B56 ASG ILE A 54 52 E Strand -128.46 115.65 3.2 1B56 ASG LYS A 55 53 E Strand -116.30 129.87 65.1 1B56 ASG THR A 56 54 E Strand -107.82 131.01 40.9 1B56 ASG GLU A 57 55 E Strand -131.13 131.22 54.4 1B56 ASG SER A 58 56 T Turn -163.63 164.61 26.7 1B56 ASG THR A 59 57 T Turn -70.36 -40.47 149.9 1B56 ASG LEU A 60 58 T Turn -70.50 -17.70 76.2 1B56 ASG LYS A 61 59 T Turn -172.91 144.23 62.7 1B56 ASG THR A 62 60 E Strand -138.26 113.62 83.4 1B56 ASG THR A 63 61 E Strand -125.80 163.67 33.9 1B56 ASG GLN A 64 62 E Strand -169.12 140.93 110.9 1B56 ASG PHE A 65 63 E Strand -150.07 156.79 30.6 1B56 ASG SER A 66 64 E Strand -125.03 152.28 58.2 1B56 ASG CYS A 67 65 E Strand -158.11 155.39 6.7 1B56 ASG THR A 68 66 E Strand -103.60 133.84 38.8 1B56 ASG LEU A 69 67 T Turn -55.96 140.50 27.8 1B56 ASG GLY A 70 68 T Turn 80.14 -8.97 49.4 1B56 ASG GLU A 71 69 E Strand -107.86 132.79 111.8 1B56 ASG LYS A 72 70 E Strand -76.69 145.63 109.3 1B56 ASG PHE A 73 71 E Strand -153.28 161.28 31.4 1B56 ASG GLU A 74 72 E Strand -85.10 115.78 122.6 1B56 ASG GLU A 75 73 E Strand -106.61 131.41 13.5 1B56 ASG THR A 76 74 E Strand -99.76 98.08 68.7 1B56 ASG THR A 77 75 E Strand -65.68 154.54 8.8 1B56 ASG ALA A 78 76 T Turn -51.02 -30.16 54.4 1B56 ASG ASP A 79 77 T Turn -88.79 2.00 51.2 1B56 ASG GLY A 80 78 T Turn 97.58 11.76 56.3 1B56 ASG ARG A 81 79 E Strand -87.71 142.89 30.7 1B56 ASG LYS A 82 80 E Strand -102.76 127.43 116.1 1B56 ASG THR A 83 81 E Strand -134.28 162.02 1.3 1B56 ASG GLN A 84 82 E Strand -100.36 92.84 83.0 1B56 ASG THR A 85 83 E Strand -98.80 148.59 0.0 1B56 ASG VAL A 86 84 E Strand -137.25 137.27 34.0 1B56 ASG CYS A 87 85 E Strand -118.89 132.80 0.0 1B56 ASG ASN A 88 86 E Strand -149.71 127.36 76.0 1B56 ASG PHE A 89 87 E Strand -85.38 104.02 53.3 1B56 ASG THR A 90 88 E Strand -134.64 152.44 80.0 1B56 ASG ASP A 91 89 T Turn 50.61 25.51 108.2 1B56 ASG GLY A 92 90 T Turn 87.65 14.58 50.9 1B56 ASG ALA A 93 91 E Strand -143.14 158.34 8.4 1B56 ASG LEU A 94 92 E Strand -91.25 124.02 0.0 1B56 ASG VAL A 95 93 E Strand -111.98 121.13 36.5 1B56 ASG GLN A 96 94 E Strand -108.25 91.98 3.4 1B56 ASG HIS A 97 95 E Strand -88.49 125.32 52.3 1B56 ASG GLN A 98 96 E Strand -111.75 153.48 7.0 1B56 ASG GLU A 99 97 E Strand -147.83 129.78 73.5 1B56 ASG TRP A 100 98 E Strand -162.72 144.14 36.0 1B56 ASG ASP A 101 99 T Turn 40.89 39.40 149.7 1B56 ASG GLY A 102 100 T Turn 81.77 -9.20 75.0 1B56 ASG LYS A 103 101 E Strand -95.72 159.08 101.3 1B56 ASG GLU A 104 102 E Strand -137.22 162.72 94.0 1B56 ASG SER A 105 103 E Strand -168.46 151.69 2.1 1B56 ASG THR A 106 104 E Strand -144.38 136.75 31.1 1B56 ASG ILE A 107 105 E Strand -112.21 130.08 18.4 1B56 ASG THR A 108 106 E Strand -119.70 127.22 25.9 1B56 ASG ARG A 109 107 E Strand -117.38 124.43 27.1 1B56 ASG LYS A 110 108 E Strand -140.33 154.18 69.2 1B56 ASG LEU A 111 109 E Strand -86.74 133.45 65.8 1B56 ASG LYS A 112 110 E Strand -154.68 120.65 102.6 1B56 ASG ASP A 113 111 T Turn 55.87 32.20 152.3 1B56 ASG GLY A 114 112 T Turn 94.47 -17.55 52.1 1B56 ASG LYS A 115 113 E Strand -115.19 157.78 73.6 1B56 ASG LEU A 116 114 E Strand -85.20 122.66 0.0 1B56 ASG VAL A 117 115 E Strand -111.60 113.01 17.6 1B56 ASG VAL A 118 116 E Strand -103.32 125.52 10.2 1B56 ASG GLU A 119 117 E Strand -125.25 130.52 69.1 1B56 ASG CYS A 120 118 E Strand -115.36 145.87 3.8 1B56 ASG VAL A 121 119 E Strand -142.75 142.84 50.8 1B56 ASG MET A 122 120 E Strand -159.43 119.79 9.2 1B56 ASG ASN A 123 121 T Turn 49.98 50.84 92.3 1B56 ASG ASN A 124 122 T Turn 70.62 -11.63 159.9 1B56 ASG VAL A 125 123 E Strand -86.18 122.97 37.9 1B56 ASG THR A 126 124 E Strand -120.76 178.61 76.6 1B56 ASG CYS A 127 125 E Strand -150.39 156.60 3.1 1B56 ASG THR A 128 126 E Strand -145.73 110.59 39.8 1B56 ASG ARG A 129 127 E Strand -111.76 134.82 20.4 1B56 ASG ILE A 130 128 E Strand -111.43 134.68 33.9 1B56 ASG TYR A 131 129 E Strand -126.79 132.94 16.6 1B56 ASG GLU A 132 130 E Strand -106.42 139.94 76.0 1B56 ASG LYS A 133 131 E Strand -61.16 138.23 98.6 1B56 ASG VAL A 134 132 C Coil -93.26 119.32 37.8 1B56 ASG GLU A 135 133 C Coil 67.14 360.00 224.5 1B56