G4V9G8_SCHMA Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession G4V9G8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 148 aa.

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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M19.5Very low22.3Very low216 Ų216166.6 Ų166.6100%1.06486%0.859SS**  0113.10-171.4-178.6-119.500107
2V21.5Very low22.8Very low117 Ų117162.4 Ų162.471%0.70986%0.855SS**  trans-106.5123.1172-177.80000106.1Y4V2-Y4 HydrophobicContact CG1-CE1 4.44Å; V2-Y4 HydrophobicContact CG1-CE2 4.16Å
3R18Very low23Very low218 Ų218164.3 Ų164.382%0.82385%0.853SS**  trans-104136.3172.9-78.3178.8161.7167.5-5.7107.3
4Y24.2Very low23Very low206 Ų206160.6 Ų160.681%0.80885%0.848SS**  trans-101.3135.3172-62.4-87.3000109V2V2-Y4 HydrophobicContact CG1-CE1 4.44Å; V2-Y4 HydrophobicContact CG1-CE2 4.16Å
5G19.2Very low23.1Very low75 Ų75156.3 Ų156.377%0.77383%0.833SS**  trans-134.7142.3174.500000109.4A7G5-A7 PolarHBondContact O-N 3.16Å
6L20.9Very low23.3Very low182 Ų182153.1 Ų153.195%0.95383%0.826SS**  trans-67.5123.5-179-69.6156.1000110A8L6-A8 PolarHBondContact O-N 3.28Å
7A22.6Very low23.6Very low107 Ų107151.4 Ų151.488%0.88481%0.812SS**  trans-83.297.6168.500000109G5G5-A7 PolarHBondContact O-N 3.16Å
8A22.2Very low23.8Very low93 Ų93145.1 Ų145.177%0.76978%0.782SS**  trans-86.3110.7161.800000108.9L6L6-A8 PolarHBondContact O-N 3.28Å
9Q24.8Very low24Very low185 Ų185143.8 Ų143.886%0.86477%0.769SS**  trans-172.9100.2140.7-109175.416.900110.4
10E26.5Very low24.1Very low185 Ų185138.8 Ų138.886%0.86475%0.745SS**SBendtrans41.182.2144.9-60.4-171.3167.300119.5
11R25.5Very low24.3Very low249 Ų249139.8 Ų139.894%0.9474%0.738SS**  164.2111.4129.8-89.3172.8-170.7-166.73.5108.4
12S28.2Very low24.7Very low116 Ų116131.4 Ų131.481%0.81170%0.699SS**  trans-76118.6-15839.10000114.2
13F25.5Very low25Very low187 Ų187129.2 Ų129.282%0.8269%0.689SS**  trans-70.6129163.9-161.5-105000108.7P15F13-P15 HydrophobicContact CD1-CB 4.38Å; F13-P15 HydrophobicContact CD1-CG 3.65Å; F13-P15 HydrophobicContact CE1-CB 4Å; F13-P15 HydrophobicContact CE1-CG 3.69Å
14S23.2Very low25.4Very low113 Ų113121.4 Ų121.479%0.7967%0.667SS**  trans-121.294.5178.426.70000109.6
15P25.4Very low25.5Very low95 Ų95117.8 Ų117.862%0.61767%0.667SS**  trans-103.2131.6161.334.6-24.1000110.1F13F13-P15 HydrophobicContact CD1-CB 4.38Å; F13-P15 HydrophobicContact CD1-CG 3.65Å; F13-P15 HydrophobicContact CE1-CB 4Å; F13-P15 HydrophobicContact CE1-CG 3.69Å
16S26.3Very low25.9Very low105 Ų105121.2 Ų121.273%0.73466%0.66SS**  trans-66.2138.7-176.653.30000114.1
17E27.9Very low26.1Very low124 Ų124123.7 Ų123.758%0.57966%0.657SS**SBendtrans45.569152.8-57.2-168.1157.500117.1Q91E17-Q91 PolarHBondContact OE1-NE2 3.46Å
18S26.7Very low26.3Very low39 Ų39122.8 Ų122.827%0.27364%0.644SS.*  trans64.757.6144.757.90000119.3
19F27.4Very low26.7Very low121 Ų121126.4 Ų126.453%0.53165%0.65SS.*  trans-99.2112.6150.7-63.9-89.5000109.5R21 V82 C83 E84F19-R21 PolarHBondContact O-N 2.6Å; F19-V82 HydrophobicContact CD1-CG1 3.66Å; F19-V82 HydrophobicContact CE1-CG1 4.14Å; F19-V82 HydrophobicContact CG-CG1 4.5Å; F19-C83 WeakPolarHBondContact CD1-O 3.45Å; F19-E84 HydrophobicContact CE1-CB 4.44Å; F19-E84 HydrophobicContact CE1-CG 3.6Å; F19-E84 HydrophobicContact CZ-CG 4.2Å
20S26.3Very low26.7Very low42 Ų42125.2 Ų125.229%0.29465%0.646SS.*  trans-82.8113165.5-82.90000106.8V22 F95S20-V22 PolarHBondContact O-N 3.3Å; S20-F95 VanDerWaalsContact CB-CZ 3.41Å; S20-F95 WeakPolarHBondContact OG-CE2 3.14Å; S20-F95 WeakPolarHBondContact OG-CZ 3.29Å
21R28.4Very low26.8Very low160 Ų160126.7 Ų126.760%0.60465%0.65SS**EExtended strand (participates in β ladder)trans-72.1108.6174.4-171.3176.1-175.5173.7-0.8108.6F19 E62F19-R21 PolarHBondContact O-N 2.6Å; R21-E62 IonicContact CZ-OE1 3.9Å; R21-E62 IonicContact NE-OE1 3.08Å; R21-E62 VanDerWaalsContact NH2-CD 3.35Å; R21-E62 IonicContact NH2-OE1 3.32Å; R21-E62 PolarHBondContact NH2-OE1 2.68Å; R21-E62 IonicContact NH2-OE2 3.94Å
22V29Very low26.7Very low40 Ų40117.7 Ų117.724%0.24263%0.634CS.*EExtended strand (participates in β ladder)trans-94.2108.4171.6179.30000107.6S20 I81 I97S20-V22 PolarHBondContact O-N 3.3Å; V22-I81 HydrophobicContact CB-CB 4.28Å; V22-I81 PolarHBondContact N-O 2.9Å; V22-I81 VanDerWaalsContact N-O 3.14Å; V22-I81 PolarHBondContact O-N 2.63Å; V22-I97 HydrophobicContact CG2-CB 4.31Å; V22-I97 HydrophobicContact CG2-CD1 3.82Å
23S26.8Very low26.5Very low72 Ų72121.9 Ų121.950%0.50364%0.637SS.*EExtended strand (participates in β ladder)trans-91.5121175.939.60000110.6
24C27.5Very low26.4Very low53 Ų53119.2 Ų119.236%0.35864%0.64SS.*  trans-97.6112.6173.7-68.60000109.4I81C24-I81 WeakPolarHBondContact SG-CD1 3.46Å
25V24.9Very low26.3Very low131 Ų131124 Ų12479%0.79464%0.641SS**  trans-96107.2170.7-175.20000108.8R27V25-R27 PolarHBondContact O-N 3.19Å
26K28.4Very low26.1Very low147 Ų147124.3 Ų124.364%0.63965%0.646SS**  trans-77113.7168.9-173.7171.2-179.7171.50109.1S28 E108K26-S28 PolarHBondContact O-N 3.05Å; K26-E108 IonicContact NZ-OE1 3.97Å; K26-E108 PolarHBondContact NZ-OE1 3.27Å
27R23.9Very low26Very low234 Ų234123.7 Ų123.788%0.88363%0.634SS**  trans-80.3110.9164.6-80.9-174.2177.5-173.2-1.5108.9V25V25-R27 PolarHBondContact O-N 3.19Å
28S26.6Very low25.7Very low88 Ų88123.4 Ų123.462%0.61565%0.645SS**  trans-86.9124.3163.7179.10000109.4K26 M30K26-S28 PolarHBondContact O-N 3.05Å; S28-M30 PolarHBondContact OG-N 3.05Å; S28-M30 PolarHBondContact OG-O 2.99Å
29L31.7Very low25.5Very low169 Ų169125.3 Ų125.389%0.88566%0.664SS**  trans-96.32.5174-106.3158.7000113.5
30M24.4Very low25.3Very low160 Ų160128.3 Ų128.379%0.78868%0.684SS**SBendtrans-138.2125.3179-70.2-160.6173.300113S28 G32S28-M30 PolarHBondContact OG-N 3.05Å; S28-M30 PolarHBondContact OG-O 2.99Å; M30-G32 PolarHBondContact O-N 3.23Å
31K29.4Very low25.3Very low216 Ų216129.2 Ų129.294%0.93969%0.694SS**SBendtrans-59.5116.3168.4-68.3179176.8-179.10108.5
32G23.6Very low25.5Very low59 Ų59129 Ų12961%0.60870%0.7SS**SBendtrans109.8127.816300000115.6M30M30-G32 PolarHBondContact O-N 3.23Å
33K22.5Very low25.7Very low204 Ų204129.7 Ų129.789%0.88771%0.705SS**  trans75.9109.7165.2-58.6-175.8178.8-178.40116.4
34C24Very low26Very low131 Ų131133.8 Ų133.889%0.88571%0.714SS**  trans-50.5135.6162.6-59.90000110.4
35R21.2Very low26.4Very low213 Ų213132.6 Ų132.680%0.80470%0.703SS**  trans-122132168.5-76.3-172.8174-173.5-1.6108.3L37R35-L37 PolarHBondContact O-N 3.21Å
36S21.5Very low26.8Very low102 Ų102128 Ų12871%0.71368%0.675SS**  trans-65.1120.2167.6177.40000108.8
37L24.1Very low27.1Very low93 Ų93121.5 Ų121.549%0.48765%0.647SS.*  trans-125.590.3169.1-63.2171.2000108.6R35 E108R35-L37 PolarHBondContact O-N 3.21Å; L37-E108 PolarHBondContact N-OE2 3.33Å
38S20.4Very low27.7Very low117 Ų117113 Ų11382%0.81863%0.627SS**  trans-64.3135.3165.939.30000110.3
39A24.4Very low28.1Very low80 Ų80116.2 Ų116.266%0.66163%0.626SS**  trans-136.2118.816100000110.1A41A39-A41 PolarHBondContact O-N 3.29Å
40L22.9Very low28.3Very low184 Ų184112 Ų11296%0.96360%0.601SS**  trans-73.791.6166.3-96.5133.6000108.2
41A26.5Very low28.9Very low60 Ų60113.2 Ų113.250%0.49660%0.603SS.*  trans-157.6131.6158.400000109.5A39 P43A39-A41 PolarHBondContact O-N 3.29Å; A41-P43 WeakPolarHBondContact O-CD 3.18Å
42Q31.1Very low29.2Very low155 Ų155106.4 Ų106.472%0.72458%0.576SS**  trans-71.6113.7170.6-74.7-178.9-18.200108.6K44Q42-K44 PolarHBondContact O-N 3.02Å
43P33.3Very low29.9Very low55 Ų55108.1 Ų108.136%0.35758%0.579SS.*  trans-66119.1169.125.8-30.9000109A41 F45A41-P43 WeakPolarHBondContact O-CD 3.18Å; P43-F45 HydrophobicContact CB-CD2 4.29Å; P43-F45 HydrophobicContact CB-CE2 3.81Å; P43-F45 HydrophobicContact CB-CZ 4.03Å; P43-F45 HydrophobicContact CG-CD2 4.4Å; P43-F45 HydrophobicContact CG-CE2 3.63Å; P43-F45 HydrophobicContact CG-CZ 4.05Å; P43-F45 PolarHBondContact O-N 3.2Å
44K32.9Very low30.7Very low158 Ų15899.6 Ų99.669%0.68754%0.543SS*.  trans-79.997.6163-76.3-175179.1179.10107.9Q42 T46Q42-K44 PolarHBondContact O-N 3.02Å; K44-T46 PolarHBondContact O-N 3.38Å; K44-T46 PolarHBondContact O-OG1 3.27Å
45F36.5Very low31.7Very low29 Ų2997.9 Ų97.913%0.12753%0.529CS..  trans-76.7111.1164-57.2-85.9000107.8P43 L54 C57 I97 I99P43-F45 HydrophobicContact CB-CD2 4.29Å; P43-F45 HydrophobicContact CB-CE2 3.81Å; P43-F45 HydrophobicContact CB-CZ 4.03Å; P43-F45 HydrophobicContact CG-CD2 4.4Å; P43-F45 HydrophobicContact CG-CE2 3.63Å; P43-F45 HydrophobicContact CG-CZ 4.05Å; P43-F45 PolarHBondContact O-N 3.2Å; F45-L54 HydrophobicContact CB-CB 4.19Å; F45-L54 HydrophobicContact CB-CD1 3.34Å; F45-L54 HydrophobicContact CB-CG 3.81Å; F45-L54 HydrophobicContact CD1-CD1 4.28Å; F45-L54 HydrophobicContact CG-CD1 3.99Å; F45-C57 HydrophobicContact CD2-CB 4.35Å; F45-C57 HydrophobicContact CE1-CB 4.42Å; F45-C57 HydrophobicContact CE2-CB 3.91Å; F45-C57 HydrophobicContact CZ-CB 3.95Å; F45-I97 HydrophobicContact CD1-CG2 3.8Å; F45-I97 HydrophobicContact CE1-CG2 4.45Å; F45-I99 HydrophobicContact CE1-CG1 4.47Å
46T33Very low32.9Very low34 Ų3490.1 Ų90.121%0.20951%0.51CS..EExtended strand (participates in β ladder)trans-126.5130.6-178.6-25.90000106.9K44 F51K44-T46 PolarHBondContact O-N 3.38Å; K44-T46 PolarHBondContact O-OG1 3.27Å; T46-F51 HydrophobicContact CG2-CB 4.23Å; T46-F51 HydrophobicContact CG2-CD1 3.59Å; T46-F51 HydrophobicContact CG2-CE1 4.32Å; T46-F51 HydrophobicContact CG2-CG 4.18Å
47D34.4Very low34Very low10 Ų1086.6 Ų86.65%0.05349%0.485CS..EExtended strand (participates in β ladder)trans-65.4130.9167162.110.7000108.3R49 H50D47-R49 PolarHBondContact O-N 3.47Å; D47-R49 PolarHBondContact OD1-N 3.09Å; D47-H50 CarbonylContact C-O 3.41Å; D47-H50 WeakPolarHBondContact CB-O 3.38Å; D47-H50 CarbonylContact O-C 3.57Å; D47-H50 VanDerWaalsContact O-O 3.05Å
48A37.5Very low35Very low55 Ų5585 Ų8546%0.45548%0.481SS..SBendtrans-64.1-18.6-173.800000113.7Q96A48-Q96 HydrophobicContact CB-CB 4.1Å
49R35.1Very low36.1Very low156 Ų15681.7 Ų81.759%0.58946%0.456SS*.SBendtrans-107.6-36.5-178.4-63.4-165.6-168.1-162.68.9113.7D47D47-R49 PolarHBondContact O-N 3.47Å; D47-R49 PolarHBondContact OD1-N 3.09Å
50H36.6Very low37.2Very low81 Ų8183 Ų8338%0.37545%0.449SS..SBendtrans-128.8125.8178.1-62.599.4000106.5D47 N52 E93D47-H50 CarbonylContact C-O 3.41Å; D47-H50 WeakPolarHBondContact CB-O 3.38Å; D47-H50 CarbonylContact O-C 3.57Å; D47-H50 VanDerWaalsContact O-O 3.05Å; H50-N52 VanDerWaalsContact CB-ND2 3.33Å; H50-N52 WeakPolarHBondContact CB-ND2 3.26Å; H50-N52 PolarHBondContact O-N 3.28Å; H50-E93 IonicContact CE1-OE1 2.63Å; H50-E93 IonicContact CE1-OE2 3.68Å; H50-E93 PolarHBondContact CE1-OE2 3.48Å; H50-E93 IonicContact ND1-OE2 2.68Å; H50-E93 PolarHBondContact ND1-OE2 2.95Å
51F36.8Very low38.3Very low186 Ų18676.3 Ų76.382%0.81642%0.415SS*.  trans-66.134.8177.5-69.6-99.9000113.2T46 S53T46-F51 HydrophobicContact CG2-CB 4.23Å; T46-F51 HydrophobicContact CG2-CD1 3.59Å; T46-F51 HydrophobicContact CG2-CE1 4.32Å; T46-F51 HydrophobicContact CG2-CG 4.18Å; F51-S53 PolarHBondContact O-N 3.14Å
52N34.6Very low39.2Very low72 Ų7276 Ų7639%0.38540%0.404SS..PPolyproline II helixtrans-64.1120.5174.2-65.4-26.7000107.7H50 L54H50-N52 VanDerWaalsContact CB-ND2 3.33Å; H50-N52 WeakPolarHBondContact CB-ND2 3.26Å; H50-N52 PolarHBondContact O-N 3.28Å; N52-L54 PolarHBondContact O-N 3.45Å
53S38.6Very low39.9Very low96 Ų9674.3 Ų74.367%0.67141%0.406SS*.BIsolated β-bridgetrans-66.6126.2174.9-58.70000108.2F51 T55F51-S53 PolarHBondContact O-N 3.14Å; S53-T55 PolarHBondContact O-N 3.48Å
54L40.2Very low40.3Very low25 Ų2575 Ų7513%0.13141%0.407CS..PPolyproline II helixtrans-60.1128.3166-61.7-171.6000107.7F45 N52 A56 C83 V85 I97F45-L54 HydrophobicContact CB-CB 4.19Å; F45-L54 HydrophobicContact CB-CD1 3.34Å; F45-L54 HydrophobicContact CB-CG 3.81Å; F45-L54 HydrophobicContact CD1-CD1 4.28Å; F45-L54 HydrophobicContact CG-CD1 3.99Å; N52-L54 PolarHBondContact O-N 3.45Å; L54-A56 VanDerWaalsContact C-N 3.28Å; L54-A56 PolarHBondContact O-N 3.44Å; L54-C83 HydrophobicContact CD1-CB 3.76Å; L54-V85 HydrophobicContact CD2-CB 4Å; L54-V85 HydrophobicContact CD2-CG1 3.8Å; L54-V85 HydrophobicContact CD2-CG2 3.71Å; L54-I97 HydrophobicContact CD1-CD1 4.39Å; L54-I97 HydrophobicContact CD1-CG1 4.25Å; L54-I97 HydrophobicContact CD1-CG2 4.42Å
55T43.9Very low40.9Very low95 Ų9572.2 Ų72.258%0.58341%0.406SS*.SBendtrans-66.9-34.9-175.829.10000111.1S53 E84S53-T55 PolarHBondContact O-N 3.48Å; T55-E84 PolarHBondContact N-O 2.8Å; T55-E84 VanDerWaalsContact N-O 3.12Å; T55-E84 WeakPolarHBondContact OG1-CB 3.46Å; T55-E84 PolarHBondContact OG1-O 3.2Å
56A47Very low41.2Very low49 Ų4976.8 Ų76.841%0.40544%0.442SS..EExtended strand (participates in β ladder)trans-163141.9171.100000110.9L54 C83 E84L54-A56 VanDerWaalsContact C-N 3.28Å; L54-A56 PolarHBondContact O-N 3.44Å; A56-C83 CarbonylContact O-C 3.32Å; A56-C83 WeakPolarHBondContact O-CA 3.4Å; A56-E84 PolarHBondContact O-N 2.93Å
57C43.7Very low41.6Very low29 Ų2979.6 Ų79.620%0.19646%0.455CS..EExtended strand (participates in β ladder)trans-112.7134.8160.3-68.10000108.9F45 I81 V82 C83F45-C57 HydrophobicContact CD2-CB 4.35Å; F45-C57 HydrophobicContact CE1-CB 4.42Å; F45-C57 HydrophobicContact CE2-CB 3.91Å; F45-C57 HydrophobicContact CZ-CB 3.95Å; C57-I81 HydrophobicContact CB-CG2 4.36Å; C57-V82 CarbonylContact C-O 3.54Å; C57-V82 WeakPolarHBondContact CA-O 3.35Å; C57-C83 HydrophobicContact CB-CB 4.11Å; C57-C83 WeakPolarHBondContact CB-SG 3.36Å; C57-C83 WeakPolarHBondContact SG-CB 3.17Å; C57-C83 CovalentContact SG-SG 2.05Å; C57-C83 PolarHBondContact SG-SG 2.84Å
58S45.4Very low41.8Very low58 Ų5882.7 Ų82.741%0.40648%0.476SS..EExtended strand (participates in β ladder)trans-124.4157.4175.365.90000110.3I81 V82S58-I81 CarbonylContact O-C 3.59Å; S58-I81 WeakPolarHBondContact O-CA 3.41Å; S58-V82 PolarHBondContact N-O 2.76Å; S58-V82 PolarHBondContact O-N 3.14Å; S58-V82 PolarHBondContact OG-O 3.37Å
59V44.5Very low41.8Very low48 Ų4885.6 Ų85.629%0.29149%0.488SS..EExtended strand (participates in β ladder)trans-105.4110.9171.9-1740000109.4C79 I81 I107 C109V59-C79 HydrophobicContact CG1-CB 3.69Å; V59-I81 HydrophobicContact CG2-CG1 4.14Å; V59-I107 HydrophobicContact CG2-CG2 4.29Å; V59-C109 WeakPolarHBondContact CB-SG 3.39Å; V59-C109 HydrophobicContact CG1-CB 4.37Å; V59-C109 WeakPolarHBondContact CG1-SG 3.42Å; V59-C109 WeakPolarHBondContact CG2-SG 3.44Å
60Q47.2Very low42Very low109 Ų10986.1 Ų86.151%0.50950%0.497SS..EExtended strand (participates in β ladder)trans-84.9126.5174.7-172.4176.620.600109.6C79 S80 V82Q60-C79 CarbonylContact O-C 3.5Å; Q60-C79 WeakPolarHBondContact O-CA 3.45Å; Q60-C79 WeakPolarHBondContact O-CB 3.48Å; Q60-S80 PolarHBondContact N-O 2.96Å; Q60-S80 PolarHBondContact O-N 2.93Å; Q60-V82 HydrophobicContact CB-CG2 4.08Å
61V44.7Very low41.9Very low42 Ų4289.5 Ų89.526%0.25551%0.507SS..EExtended strand (participates in β ladder)trans-87.1119.2170.7-178.50000108K77 I111V61-K77 HydrophobicContact CG1-CB 3.55Å; V61-K77 HydrophobicContact CG1-CD 3.34Å; V61-K77 HydrophobicContact CG1-CG 4.07Å; V61-I111 HydrophobicContact CB-CD1 4.19Å; V61-I111 HydrophobicContact CG1-CD1 3.63Å; V61-I111 HydrophobicContact CG2-CD1 3.42Å; V61-I111 VanDerWaalsContact CG2-CD1 3.42Å; V61-I111 HydrophobicContact CG2-CG1 3.89Å
62E45.9Very low41.9Very low55 Ų5583.2 Ų83.226%0.25749%0.49SS..PPolyproline II helixtrans-72.6144.1177.7-69.6-179.8-162.700110.5R21 L64 P78R21-E62 IonicContact CZ-OE1 3.9Å; R21-E62 IonicContact NE-OE1 3.08Å; R21-E62 VanDerWaalsContact NH2-CD 3.35Å; R21-E62 IonicContact NH2-OE1 3.32Å; R21-E62 PolarHBondContact NH2-OE1 2.68Å; R21-E62 IonicContact NH2-OE2 3.94Å; E62-L64 PolarHBondContact O-N 3.17Å; E62-P78 HydrophobicContact CB-CB 4.12Å; E62-P78 HydrophobicContact CB-CG 3.94Å; E62-P78 PolarHBondContact N-O 2.84Å
63P45.8Very low41.8Very low118 Ų11884.8 Ų84.877%0.76651%0.507SS*.PPolyproline II helixtrans-58.6135.8173.424.8-31.9000109.2S65P63-S65 PolarHBondContact O-N 3.09Å
64L42.2Very low41.8Very low71 Ų7185.3 Ų85.337%0.37251%0.506SS..PPolyproline II helixtrans-66.1118.1171.3-67.9166.6000107.4E62 L67 V75 K77E62-L64 PolarHBondContact O-N 3.17Å; L64-L67 HydrophobicContact CD2-CD1 4.04Å; L64-V75 HydrophobicContact CD1-CG1 3.52Å; L64-V75 HydrophobicContact CD2-CG1 3.73Å; L64-V75 HydrophobicContact CG-CG1 4.25Å; L64-K77 HydrophobicContact CD1-CD 4.36Å; L64-K77 HydrophobicContact CD1-CG 4.01Å; L64-K77 HydrophobicContact CD2-CB 4.37Å; L64-K77 HydrophobicContact CD2-CG 3.93Å; L64-K77 HydrophobicContact CG-CD 4.37Å; L64-K77 HydrophobicContact CG-CG 3.94Å
65S46.2Very low41.7Very low98 Ų9886.2 Ų86.269%0.68551%0.512SS*.PPolyproline II helixtrans-58.6142.2156.945.10000107.8P63 L67P63-S65 PolarHBondContact O-N 3.09Å; S65-L67 PolarHBondContact O-N 2.84Å
66S42.8Very low41.6Very low125 Ų12587.1 Ų87.187%0.87452%0.517SS*.  trans-44.3112.5-177.853.50000110.8
67L40.1Very low41.3Very low93 Ų9387.9 Ų87.949%0.48751%0.512SS..  trans-102.5142.5176.1-83.5158.5000109.3L64 S65 V69L64-L67 HydrophobicContact CD2-CD1 4.04Å; S65-L67 PolarHBondContact O-N 2.84Å; L67-V69 PolarHBondContact O-N 3.45Å
68P38.1Very low41.3Very low75 Ų7589.3 Ų89.349%0.48752%0.52SS..  trans-59.7137.7171.2-14.726.1000110.4E70 Y71P68-E70 PolarHBondContact O-N 3.48Å; P68-Y71 HydrophobicContact CB-CD2 3.92Å; P68-Y71 HydrophobicContact CB-CE2 4.3Å; P68-Y71 HydrophobicContact CG-CD2 3.96Å; P68-Y71 HydrophobicContact CG-CE2 4.2Å; P68-Y71 PolarHBondContact O-N 3.4Å
69V39.1Very low41.3Very low116 Ų11688.3 Ų88.370%0.70351%0.513SS*.G310 helixtrans-54.1-31.1-172.8176.90000113L67 Y71 A72L67-V69 PolarHBondContact O-N 3.45Å; V69-Y71 PolarHBondContact O-N 3.17Å; V69-A72 WeakPolarHBondContact O-CB 3.18Å; V69-A72 PolarHBondContact O-N 3.04Å
70E38.9Very low41.3Very low167 Ų16786 Ų8678%0.7850%0.499SS*.G310 helixtrans-60.4-29.4178.3-61.6172.7-166.500113P68P68-E70 PolarHBondContact O-N 3.48Å
71Y34.7Very low41.4Very low152 Ų15281.1 Ų81.160%0.59648%0.477SS*.G310 helixtrans-90.5-4.6177.4-60-78.9000113P68 V69 S73 V74P68-Y71 HydrophobicContact CB-CD2 3.92Å; P68-Y71 HydrophobicContact CB-CE2 4.3Å; P68-Y71 HydrophobicContact CG-CD2 3.96Å; P68-Y71 HydrophobicContact CG-CE2 4.2Å; P68-Y71 PolarHBondContact O-N 3.4Å; V69-Y71 PolarHBondContact O-N 3.17Å; Y71-S73 PolarHBondContact O-N 3.2Å; Y71-V74 PolarHBondContact O-N 2.84Å
72A36.7Very low41.7Very low54 Ų5480.7 Ų80.745%0.44647%0.474SS..G310 helixtrans-67.1-19.2-177.200000113.6V69 V74 V75V69-A72 WeakPolarHBondContact O-CB 3.18Å; V69-A72 PolarHBondContact O-N 3.04Å; A72-V74 PolarHBondContact O-N 3.25Å; A72-V75 VanDerWaalsContact CA-CG2 3.45Å; A72-V75 HydrophobicContact CB-CG2 4.32Å; A72-V75 WeakPolarHBondContact O-CG2 3.39Å
73S33Very low41.7Very low106 Ų10678 Ų7874%0.74146%0.461SS*.G310 helixtrans-69.7-17.4178.361.10000113.8Y71Y71-S73 PolarHBondContact O-N 3.2Å
74V37.6Very low41.7Very low107 Ų10777.2 Ų77.265%0.64845%0.447SS*.G310 helixtrans-128.953.1-179.1-164.90000109.5Y71 A72 T76Y71-V74 PolarHBondContact O-N 2.84Å; A72-V74 PolarHBondContact O-N 3.25Å; V74-T76 PolarHBondContact O-N 3.41Å; V74-T76 VanDerWaalsContact O-N 3.14Å
75V38.7Very low41.8Very low44 Ų4474.7 Ų74.727%0.26744%0.435SS..  trans-85.892.3-179.3178.70000109.7L64 A72 K77L64-V75 HydrophobicContact CD1-CG1 3.52Å; L64-V75 HydrophobicContact CD2-CG1 3.73Å; L64-V75 HydrophobicContact CG-CG1 4.25Å; A72-V75 VanDerWaalsContact CA-CG2 3.45Å; A72-V75 HydrophobicContact CB-CG2 4.32Å; A72-V75 WeakPolarHBondContact O-CG2 3.39Å; V75-K77 HydrophobicContact CG1-CG 4.02Å; V75-K77 PolarHBondContact O-N 3.49Å
76T41.4Very low41.7Very low113 Ų11372.1 Ų72.169%0.69342%0.42SS*.  trans-77.3108.6151.746.60000107.1V74V74-T76 PolarHBondContact O-N 3.41Å; V74-T76 VanDerWaalsContact O-N 3.14Å
77K40.1Very low41.7Very low66 Ų6670.4 Ų70.429%0.28741%0.407SS..  trans-63.8133.4169.4-66.8-168.4175.2179.60108.4V61 L64 V75 C79 I111V61-K77 HydrophobicContact CG1-CB 3.55Å; V61-K77 HydrophobicContact CG1-CD 3.34Å; V61-K77 HydrophobicContact CG1-CG 4.07Å; L64-K77 HydrophobicContact CD1-CD 4.36Å; L64-K77 HydrophobicContact CD1-CG 4.01Å; L64-K77 HydrophobicContact CD2-CB 4.37Å; L64-K77 HydrophobicContact CD2-CG 3.93Å; L64-K77 HydrophobicContact CG-CD 4.37Å; L64-K77 HydrophobicContact CG-CG 3.94Å; V75-K77 HydrophobicContact CG1-CG 4.02Å; V75-K77 PolarHBondContact O-N 3.49Å; K77-C79 PolarHBondContact O-N 2.77Å; K77-I111 HydrophobicContact CB-CD1 4.09Å; K77-I111 HydrophobicContact CD-CD1 4.07Å; K77-I111 HydrophobicContact CG-CD1 4.38Å
78P45.1Very low41.8Very low58 Ų5867 Ų6738%0.37739%0.39SS..  trans-57.3137.5170.113.9-14.6000108.4E62E62-P78 HydrophobicContact CB-CB 4.12Å; E62-P78 HydrophobicContact CB-CG 3.94Å; E62-P78 PolarHBondContact N-O 2.84Å
79C43.7Very low41.8Very low37 Ų3771.5 Ų71.525%0.2541%0.409CS..EExtended strand (participates in β ladder)trans-131.5143.9175.1600000110V59 Q60 K77V59-C79 HydrophobicContact CG1-CB 3.69Å; Q60-C79 CarbonylContact O-C 3.5Å; Q60-C79 WeakPolarHBondContact O-CA 3.45Å; Q60-C79 WeakPolarHBondContact O-CB 3.48Å; K77-C79 PolarHBondContact O-N 2.77Å
80S46.3Very low41.7Very low0 Ų070.7 Ų70.70%040%0.4CS..EExtended strand (participates in β ladder)trans-121.1138.4174.455.20000109.3Q60Q60-S80 PolarHBondContact N-O 2.96Å; Q60-S80 PolarHBondContact O-N 2.93Å
81I49.4Very low41.7Very low7 Ų770.4 Ų70.44%0.03640%0.399CS..EExtended strand (participates in β ladder)trans-85.2122.7170.3-52.7-177000107.1V22 C24 C57 S58 V59 I107V22-I81 HydrophobicContact CB-CB 4.28Å; V22-I81 PolarHBondContact N-O 2.9Å; V22-I81 VanDerWaalsContact N-O 3.14Å; V22-I81 PolarHBondContact O-N 2.63Å; C24-I81 WeakPolarHBondContact SG-CD1 3.46Å; C57-I81 HydrophobicContact CB-CG2 4.36Å; S58-I81 CarbonylContact O-C 3.59Å; S58-I81 WeakPolarHBondContact O-CA 3.41Å; V59-I81 HydrophobicContact CG2-CG1 4.14Å; I81-I107 HydrophobicContact CD1-CB 4.44Å; I81-I107 HydrophobicContact CD1-CD1 3.4Å; I81-I107 HydrophobicContact CD1-CG1 4.47Å; I81-I107 HydrophobicContact CD1-CG2 4.13Å
82V49.4Very low41.7Very low32 Ų3272.2 Ų72.219%0.19441%0.413CS..EExtended strand (participates in β ladder)trans-110.7118.9175.7-177.30000107F19 C57 S58 Q60F19-V82 HydrophobicContact CD1-CG1 3.66Å; F19-V82 HydrophobicContact CE1-CG1 4.14Å; F19-V82 HydrophobicContact CG-CG1 4.5Å; C57-V82 CarbonylContact C-O 3.54Å; C57-V82 WeakPolarHBondContact CA-O 3.35Å; S58-V82 PolarHBondContact N-O 2.76Å; S58-V82 PolarHBondContact O-N 3.14Å; S58-V82 PolarHBondContact OG-O 3.37Å; Q60-V82 HydrophobicContact CB-CG2 4.08Å
83C46.4Very low41.6Very low0 Ų072.5 Ų72.50%041%0.405CS..EExtended strand (participates in β ladder)trans-111.4128.8175.8-640000110.4F19 L54 A56 C57 I97F19-C83 WeakPolarHBondContact CD1-O 3.45Å; L54-C83 HydrophobicContact CD1-CB 3.76Å; A56-C83 CarbonylContact O-C 3.32Å; A56-C83 WeakPolarHBondContact O-CA 3.4Å; C57-C83 HydrophobicContact CB-CB 4.11Å; C57-C83 WeakPolarHBondContact CB-SG 3.36Å; C57-C83 WeakPolarHBondContact SG-CB 3.17Å; C57-C83 CovalentContact SG-SG 2.05Å; C57-C83 PolarHBondContact SG-SG 2.84Å; C83-I97 HydrophobicContact CB-CD1 3.89Å
84E46.1Very low41.8Very low100 Ų10073.2 Ų73.247%0.46740%0.401SS..EExtended strand (participates in β ladder)trans-76116.9164.7-74.6179.9-174.400108.7F19 T55 A56F19-E84 HydrophobicContact CE1-CB 4.44Å; F19-E84 HydrophobicContact CE1-CG 3.6Å; F19-E84 HydrophobicContact CZ-CG 4.2Å; T55-E84 PolarHBondContact N-O 2.8Å; T55-E84 VanDerWaalsContact N-O 3.12Å; T55-E84 WeakPolarHBondContact OG1-CB 3.46Å; T55-E84 PolarHBondContact OG1-O 3.2Å; A56-E84 PolarHBondContact O-N 2.93Å
85V44.3Very low41.9Very low18 Ų1869.9 Ų69.911%0.10938%0.378CS..PPolyproline II helixtrans-97.8131.1169.9-163.90000106.7L54 S87 I88 F95L54-V85 HydrophobicContact CD2-CB 4Å; L54-V85 HydrophobicContact CD2-CG1 3.8Å; L54-V85 HydrophobicContact CD2-CG2 3.71Å; V85-S87 PolarHBondContact O-N 2.82Å; V85-I88 HydrophobicContact CG1-CD1 4.27Å; V85-I88 HydrophobicContact CG1-CG1 4.28Å; V85-F95 HydrophobicContact CG2-CD2 3.88Å; V85-F95 HydrophobicContact CG2-CE2 3.54Å; V85-F95 HydrophobicContact CG2-CZ 4.16Å
86A44.9Very low41.9Very low45 Ų4573.7 Ų73.737%0.37239%0.392SS..PPolyproline II helixtrans-56.3135.9168.300000108.8I88A86-I88 PolarHBondContact O-N 3Å
87S42.4Very low41.8Very low88 Ų8869.9 Ų69.962%0.61537%0.368SS*.  trans-47109.6-177.5-176.40000110.5V85 L89V85-S87 PolarHBondContact O-N 2.82Å; S87-L89 PolarHBondContact O-N 3.15Å
88I41.2Very low41.8Very low23 Ų2371.5 Ų71.512%0.11838%0.376CS..  trans-71.4117.6170.7-52.9176.1000104.9V85 A86 N90 E93 F95V85-I88 HydrophobicContact CG1-CD1 4.27Å; V85-I88 HydrophobicContact CG1-CG1 4.28Å; A86-I88 PolarHBondContact O-N 3Å; I88-N90 PolarHBondContact O-N 3.19Å; I88-E93 HydrophobicContact CG2-CB 4.39Å; I88-F95 HydrophobicContact CD1-CB 3.98Å
89L38.4Very low41.6Very low169 Ų16971.2 Ų71.289%0.88537%0.371SS*.SBendtrans-55.6-17.3-176.5-86.8136000113.5S87S87-L89 PolarHBondContact O-N 3.15Å
90N38.1Very low41.3Very low98 Ų9873 Ų7352%0.52438%0.378SS..  trans-113.7104.6175.8-66.4-23000110I88 E92 E93I88-N90 PolarHBondContact O-N 3.19Å; N90-E92 PolarHBondContact O-N 2.73Å; N90-E92 VanDerWaalsContact O-N 3.1Å; N90-E93 HydrophobicContact CB-CG 4.17Å; N90-E93 PolarHBondContact O-N 3.02Å
91Q37.1Very low40.7Very low161 Ų16183.3 Ų83.375%0.75242%0.417SS*.THydrogen-bonded Turntrans-62.9-12.1179.8-69.5175.7-6.200114.4E17E17-Q91 PolarHBondContact OE1-NE2 3.46Å
92E35.5Very low40.1Very low191 Ų19190.5 Ų90.589%0.89346%0.455SS*.THydrogen-bonded Turntrans-90.1-3.9179.8-65.9-171.8161.100113.7N90 D94N90-E92 PolarHBondContact O-N 2.73Å; N90-E92 VanDerWaalsContact O-N 3.1Å; E92-D94 PolarHBondContact O-N 3.44Å
93E35.6Very low39.4Very low59 Ų5994.4 Ų94.428%0.27647%0.471SS..  trans-85.7111178.4-68.8-169.9-178.800111.2H50 I88 N90 F95H50-E93 IonicContact CE1-OE1 2.63Å; H50-E93 IonicContact CE1-OE2 3.68Å; H50-E93 PolarHBondContact CE1-OE2 3.48Å; H50-E93 IonicContact ND1-OE2 2.68Å; H50-E93 PolarHBondContact ND1-OE2 2.95Å; I88-E93 HydrophobicContact CG2-CB 4.39Å; N90-E93 HydrophobicContact CB-CG 4.17Å; N90-E93 PolarHBondContact O-N 3.02Å; E93-F95 PolarHBondContact O-N 2.05Å
94D37.3Very low38.9Very low122 Ų12299.8 Ų99.865%0.65251%0.506SS*.  trans-54.9122165.4-70.5-38.5000109.8E92E92-D94 PolarHBondContact O-N 3.44Å
95F38.9Very low38.4Very low37 Ų3797.9 Ų97.916%0.16250%0.502CS..  trans-96.7139.9169.963.9-78.1000110.6S20 V85 I88 E93 I97S20-F95 VanDerWaalsContact CB-CZ 3.41Å; S20-F95 WeakPolarHBondContact OG-CE2 3.14Å; S20-F95 WeakPolarHBondContact OG-CZ 3.29Å; V85-F95 HydrophobicContact CG2-CD2 3.88Å; V85-F95 HydrophobicContact CG2-CE2 3.54Å; V85-F95 HydrophobicContact CG2-CZ 4.16Å; I88-F95 HydrophobicContact CD1-CB 3.98Å; E93-F95 PolarHBondContact O-N 2.05Å; F95-I97 HydrophobicContact CD2-CG1 4.35Å; F95-I97 HydrophobicContact CE2-CD1 4.45Å
96Q37.6Very low37.9Very low123 Ų123101.8 Ų101.858%0.57552%0.522SS*.  trans-116.2123.3173.9-67.5-175.49.300109A48 Q98A48-Q96 HydrophobicContact CB-CB 4.1Å; Q96-Q98 PolarHBondContact O-N 2.77Å
97I40.6Very low37.3Very low34 Ų34102.6 Ų102.617%0.17452%0.519CS..EExtended strand (participates in β ladder)trans-84.999.3169.7-60.4172.3000107V22 F45 L54 C83 F95 I99V22-I97 HydrophobicContact CG2-CB 4.31Å; V22-I97 HydrophobicContact CG2-CD1 3.82Å; F45-I97 HydrophobicContact CD1-CG2 3.8Å; F45-I97 HydrophobicContact CE1-CG2 4.45Å; L54-I97 HydrophobicContact CD1-CD1 4.39Å; L54-I97 HydrophobicContact CD1-CG1 4.25Å; L54-I97 HydrophobicContact CD1-CG2 4.42Å; C83-I97 HydrophobicContact CB-CD1 3.89Å; F95-I97 HydrophobicContact CD2-CG1 4.35Å; F95-I97 HydrophobicContact CE2-CD1 4.45Å; I97-I99 PolarHBondContact O-N 3.2Å
98Q38.8Very low36.8Very low100 Ų100100.6 Ų100.647%0.46750%0.5SS..EExtended strand (participates in β ladder)trans-86.7109.7174.7-172.8170.7-24.200109.5Q96 N100Q96-Q98 PolarHBondContact O-N 2.77Å; Q98-N100 PolarHBondContact NE2-OD1 2.97Å; Q98-N100 PolarHBondContact O-N 3.14Å
99I41.1Very low36.2Very low52 Ų52102.1 Ų102.127%0.26751%0.512SS..  trans-82.3102.1165.3-55.1173.2000106F45 I97 R101 V105 I107F45-I99 HydrophobicContact CE1-CG1 4.47Å; I97-I99 PolarHBondContact O-N 3.2Å; I99-R101 PolarHBondContact O-N 2.93Å; I99-V105 HydrophobicContact CG2-CB 3.85Å; I99-V105 HydrophobicContact CG2-CG1 4.09Å; I99-V105 HydrophobicContact CG2-CG2 3.79Å; I99-I107 HydrophobicContact CD1-CD1 4.14Å
100N37.4Very low35.7Very low73 Ų73100.6 Ų100.639%0.3950%0.5SS..  trans-58.3114.8176.8-80.4-25.2000109.6Q98 D102 V105Q98-N100 PolarHBondContact NE2-OD1 2.97Å; Q98-N100 PolarHBondContact O-N 3.14Å; N100-D102 VanDerWaalsContact C-N 3.32Å; N100-V105 WeakPolarHBondContact O-CG2 3.09Å
101R34Very low35.3Very low217 Ų21797.9 Ų97.982%0.81949%0.485SS*.THydrogen-bonded Turntrans-89.711.9-174-90.3-170177.3-170.11.1113.8I99 E103I99-R101 PolarHBondContact O-N 2.93Å; R101-E103 CarbonylContact C-O 3.58Å; R101-E103 CarbonylContact O-C 3.58Å; R101-E103 PolarHBondContact O-N 3.29Å
102D37.5Very low35Very low158 Ų15894.2 Ų94.285%0.84548%0.483SS*.THydrogen-bonded Turntrans-58.6-22179.1-64.8-27000111.3N100N100-D102 VanDerWaalsContact C-N 3.32Å
103E34.5Very low34.8Very low114 Ų11491.1 Ų91.153%0.53347%0.472SS..SBendtrans-118.7145157.6-63.5-175172.800109.8R101 V105R101-E103 CarbonylContact C-O 3.58Å; R101-E103 CarbonylContact O-C 3.58Å; R101-E103 PolarHBondContact O-N 3.29Å; E103-V105 VanDerWaalsContact C-N 3.28Å; E103-V105 WeakPolarHBondContact O-CG2 3.05Å; E103-V105 PolarHBondContact O-N 3.45Å
104P35.5Very low34.7Very low113 Ų11392 Ų9273%0.73448%0.482SS*.  trans-60.593.4171.825.8-33000109.2N106P104-N106 VanDerWaalsContact C-N 3.28Å; P104-N106 PolarHBondContact O-N 3.33Å
105V34.8Very low34.8Very low61 Ų6192.5 Ų92.537%0.3749%0.489SS..  trans-71.588.4177.2-169.40000108I99 N100 E103 I107I99-V105 HydrophobicContact CG2-CB 3.85Å; I99-V105 HydrophobicContact CG2-CG1 4.09Å; I99-V105 HydrophobicContact CG2-CG2 3.79Å; N100-V105 WeakPolarHBondContact O-CG2 3.09Å; E103-V105 VanDerWaalsContact C-N 3.28Å; E103-V105 WeakPolarHBondContact O-CG2 3.05Å; E103-V105 PolarHBondContact O-N 3.45Å; V105-I107 HydrophobicContact CG1-CD1 4.24Å; V105-I107 HydrophobicContact CG1-CG1 3.62Å; V105-I107 PolarHBondContact O-N 3.49Å
106N34.5Very low34.8Very low99 Ų9996.9 Ų96.953%0.52951%0.514SS..  trans-75.794.7162-76.6-35000107.3P104 E108P104-N106 VanDerWaalsContact C-N 3.28Å; P104-N106 PolarHBondContact O-N 3.33Å; N106-E108 VanDerWaalsContact C-N 3.34Å; N106-E108 HydrophobicContact CB-CG 4.21Å; N106-E108 PolarHBondContact O-N 3.05Å
107I33.4Very low35.3Very low62 Ų6296.9 Ų96.932%0.31853%0.525SS..  trans-73.495.5166.7-55.5180000106.3V59 I81 I99 V105V59-I107 HydrophobicContact CG2-CG2 4.29Å; I81-I107 HydrophobicContact CD1-CB 4.44Å; I81-I107 HydrophobicContact CD1-CD1 3.4Å; I81-I107 HydrophobicContact CD1-CG1 4.47Å; I81-I107 HydrophobicContact CD1-CG2 4.13Å; I99-I107 HydrophobicContact CD1-CD1 4.14Å; V105-I107 HydrophobicContact CG1-CD1 4.24Å; V105-I107 HydrophobicContact CG1-CG1 3.62Å; V105-I107 PolarHBondContact O-N 3.49Å
108E31.4Very low35.2Very low47 Ų4797.4 Ų97.422%0.2253%0.528CS..  trans-98.2124.7175.1-64.8-154.5140.700110.3K26 L37 N106K26-E108 IonicContact NZ-OE1 3.97Å; K26-E108 PolarHBondContact NZ-OE1 3.27Å; L37-E108 PolarHBondContact N-OE2 3.33Å; N106-E108 VanDerWaalsContact C-N 3.34Å; N106-E108 HydrophobicContact CB-CG 4.21Å; N106-E108 PolarHBondContact O-N 3.05Å
109C28.6Very low35.8Very low54 Ų5495.2 Ų95.237%0.36552%0.523SS..  trans-98.9127.3177.9-68.40000110.4V59V59-C109 WeakPolarHBondContact CB-SG 3.39Å; V59-C109 HydrophobicContact CG1-CB 4.37Å; V59-C109 WeakPolarHBondContact CG1-SG 3.42Å; V59-C109 WeakPolarHBondContact CG2-SG 3.44Å
110H28.2Very low36.2Very low137 Ų137100.4 Ų100.463%0.63455%0.551SS**  trans-90.4110.9175-65.7-87.6000109.2
111I28.5Very low36.7Very low41 Ų41104.6 Ų104.621%0.2157%0.568CS.*  trans-107.8121167.2-50.7169.3000106.1V61 K77 L113V61-I111 HydrophobicContact CB-CD1 4.19Å; V61-I111 HydrophobicContact CG1-CD1 3.63Å; V61-I111 HydrophobicContact CG2-CD1 3.42Å; V61-I111 VanDerWaalsContact CG2-CD1 3.42Å; V61-I111 HydrophobicContact CG2-CG1 3.89Å; K77-I111 HydrophobicContact CB-CD1 4.09Å; K77-I111 HydrophobicContact CD-CD1 4.07Å; K77-I111 HydrophobicContact CG-CD1 4.38Å; I111-L113 PolarHBondContact O-N 3.41Å; I111-L113 VanDerWaalsContact O-N 3.09Å
112A31Very low37.1Very low85 Ų8596.8 Ų96.870%0.70254%0.542SS*.  trans-60.6115.4168.400000108.3
113L31Very low37.4Very low126 Ų12695.9 Ų95.966%0.6653%0.528SS*.PPolyproline II helixtrans-75.5134.6170.4-65.3178.1000108I111I111-L113 PolarHBondContact O-N 3.41Å; I111-L113 VanDerWaalsContact O-N 3.09Å
114P33.4Very low37.6Very low76 Ų7694.7 Ų94.749%0.49454%0.538SS..PPolyproline II helixtrans-67.1152.1177.529.1-34.4000111L118P114-L118 HydrophobicContact CB-CD2 3.46Å; P114-L118 VanDerWaalsContact CB-CD2 3.46Å; P114-L118 HydrophobicContact CB-CG 4.45Å; P114-L118 HydrophobicContact CG-CD1 4.14Å; P114-L118 HydrophobicContact CG-CD2 3.55Å; P114-L118 HydrophobicContact CG-CG 4.14Å
115V41.1Very low37.7Very low133 Ų13393.6 Ų93.681%0.80653%0.533SS*.PPolyproline II helixtrans-66.7132.9176.5-179.60000109.4
116L37.8Very low37.8Very low129 Ų12994.9 Ų94.968%0.67554%0.543SS*.SBendtrans-95.1147.5179.7-66.4174.8000111.6L118L116-L118 HydrophobicContact CD2-CG 4.16Å
117P48.5Very low38Very low124 Ų12498.4 Ų98.481%0.80555%0.553SS**SBendcis-75.3142.6-3.130.5-33.5000112.2
118L39.2Very low38.2Very low45 Ų45100.7 Ų100.724%0.23657%0.572CS.*PPolyproline II helixtrans-65149.5172.5-79.8173.4000110.8P114 L116 D122 Y123P114-L118 HydrophobicContact CB-CD2 3.46Å; P114-L118 VanDerWaalsContact CB-CD2 3.46Å; P114-L118 HydrophobicContact CB-CG 4.45Å; P114-L118 HydrophobicContact CG-CD1 4.14Å; P114-L118 HydrophobicContact CG-CD2 3.55Å; P114-L118 HydrophobicContact CG-CG 4.14Å; L116-L118 HydrophobicContact CD2-CG 4.16Å; L118-D122 HydrophobicContact CB-CB 4.47Å; L118-D122 HydrophobicContact CD2-CB 3.93Å; L118-Y123 HydrophobicContact CB-CD2 3.65Å; L118-Y123 HydrophobicContact CB-CE2 3.5Å; L118-Y123 VanDerWaalsContact CB-CE2 3.5Å; L118-Y123 HydrophobicContact CD1-CD2 4.44Å; L118-Y123 HydrophobicContact CD1-CE2 4.29Å; L118-Y123 HydrophobicContact CG-CE2 4.46Å
119S51.1Low38.1Very low54 Ų54100.7 Ų100.738%0.37858%0.577SS.*PPolyproline II helixtrans-66.4150.6168.283.50000110.3Q121 D122 Y123S119-Q121 PolarHBondContact O-N 3.34Å; S119-Q121 VanDerWaalsContact O-N 3.16Å; S119-D122 WeakPolarHBondContact CB-OD2 3.37Å; S119-D122 PolarHBondContact O-N 3.37Å; S119-D122 PolarHBondContact OG-N 3.48Å; S119-D122 PolarHBondContact OG-OD2 3.28Å; S119-Y123 PolarHBondContact O-N 3.12Å
120L49Very low38.2Very low161 Ų161106 Ų10684%0.84360%0.601SS**Hα-helixtrans-54.6-32.5176.5-92.9156.1000112.8Y123 A124L120-Y123 PolarHBondContact O-N 3.31Å; L120-A124 PolarHBondContact O-N 3.37Å
121Q48.3Very low38.3Very low160 Ų160102 Ų10275%0.74859%0.586SS**Hα-helixtrans-68.2-41.5177.2-71.2176.910.500111.8S119 Y123 A124 S125S119-Q121 PolarHBondContact O-N 3.34Å; S119-Q121 VanDerWaalsContact O-N 3.16Å; Q121-Y123 VanDerWaalsContact C-N 3.26Å; Q121-Y123 PolarHBondContact O-N 3.48Å; Q121-A124 PolarHBondContact O-N 2.98Å; Q121-S125 PolarHBondContact O-N 3.33Å
122D42.5Very low38.2Very low53 Ų53105.2 Ų105.228%0.28361%0.61SS.*Hα-helixtrans-70.7-22.1178.9-60.3-49.6000112.6L118 S119 P126L118-D122 HydrophobicContact CB-CB 4.47Å; L118-D122 HydrophobicContact CD2-CB 3.93Å; S119-D122 WeakPolarHBondContact CB-OD2 3.37Å; S119-D122 PolarHBondContact O-N 3.37Å; S119-D122 PolarHBondContact OG-N 3.48Å; S119-D122 PolarHBondContact OG-OD2 3.28Å; D122-P126 VanDerWaalsContact O-CA 3.29Å; D122-P126 WeakPolarHBondContact O-CA 2.86Å
123Y42.4Very low38.4Very low139 Ų139108.4 Ų108.455%0.54562%0.615SS.*Hα-helixtrans-72.8-42170.6-95.8-76.5000112.8L118 S119 L120 Q121L118-Y123 HydrophobicContact CB-CD2 3.65Å; L118-Y123 HydrophobicContact CB-CE2 3.5Å; L118-Y123 VanDerWaalsContact CB-CE2 3.5Å; L118-Y123 HydrophobicContact CD1-CD2 4.44Å; L118-Y123 HydrophobicContact CD1-CE2 4.29Å; L118-Y123 HydrophobicContact CG-CE2 4.46Å; S119-Y123 PolarHBondContact O-N 3.12Å; L120-Y123 PolarHBondContact O-N 3.31Å; Q121-Y123 VanDerWaalsContact C-N 3.26Å; Q121-Y123 PolarHBondContact O-N 3.48Å
124A40.6Very low38.3Very low90 Ų90106.6 Ų106.674%0.74461%0.613SS**Hα-helixtrans-77.1-30.3-177.200000112.5L120 Q121L120-A124 PolarHBondContact O-N 3.37Å; Q121-A124 PolarHBondContact O-N 2.98Å
125S37.2Very low38.1Very low89 Ų89110.2 Ų110.262%0.62263%0.627SS**SBendtrans-149.183.2179.1-162.80000110.2Q121 K127Q121-S125 PolarHBondContact O-N 3.33Å; S125-K127 PolarHBondContact O-N 2.65Å
126P37.2Very low37.4Very low89 Ų89107.5 Ų107.558%0.57861%0.614SS**PPolyproline II helixtrans-61.8125.3-179.423.9-32.1000109.4D122D122-P126 VanDerWaalsContact O-CA 3.29Å; D122-P126 WeakPolarHBondContact O-CA 2.86Å
127K38.1Very low36.9Very low172 Ų172107 Ų10775%0.74861%0.609SS**PPolyproline II helixtrans-55.9131.8169-74178.3-178.1170.40108S125 S129S125-K127 PolarHBondContact O-N 2.65Å; K127-S129 PolarHBondContact O-N 3.3Å; K127-S129 VanDerWaalsContact O-N 3.14Å
128P37.2Very low35.7Very low111 Ų111109.9 Ų109.972%0.72161%0.605SS**PPolyproline II helixtrans-53.5127.7172.221.6-30.3000107.5L130P128-L130 PolarHBondContact O-N 3.2Å
129S30.1Very low35.1Very low47 Ų47113.5 Ų113.533%0.32963%0.629SS.*  trans-59.1108.9172.142.20000106.6K127 V131K127-S129 PolarHBondContact O-N 3.3Å; K127-S129 VanDerWaalsContact O-N 3.14Å; S129-V131 PolarHBondContact O-N 2.99Å
130L29.3Very low33.8Very low164 Ų164117.2 Ų117.286%0.85965%0.645SS**  trans-66.770.9166.2-69.4165.9000107P128 P132P128-L130 PolarHBondContact O-N 3.2Å; L130-P132 WeakPolarHBondContact O-CD 2.92Å
131V30Very low32.6Very low53 Ų53117 Ų11732%0.32164%0.643SS.*  trans-67.1122.2158.9-177.50000103.6S129 D133S129-V131 PolarHBondContact O-N 2.99Å; V131-D133 PolarHBondContact O-N 2.75Å
132P28.1Very low31.4Very low110 Ų110116.1 Ų116.171%0.71464%0.642SS**  trans-54.3113.3174.8-23.132.6000108.9L130 S134L130-P132 WeakPolarHBondContact O-CD 2.92Å; P132-S134 PolarHBondContact O-N 3.26Å; P132-S134 VanDerWaalsContact O-N 3.09Å
133D34.1Very low30.6Very low152 Ų152117.1 Ų117.181%0.81367%0.665SS**SBendtrans-71.7-0.1-169-69.2-43.5000114V131V131-D133 PolarHBondContact O-N 2.75Å
134S29Very low29.7Very low88 Ų88114.2 Ų114.262%0.61568%0.678SS**  trans-127.3102.7-175.465.20000110.9P132 S136P132-S134 PolarHBondContact O-N 3.26Å; P132-S134 VanDerWaalsContact O-N 3.09Å; S134-S136 PolarHBondContact O-N 2.94Å
135I30Very low28.8Very low151 Ų151121.2 Ų121.277%0.77469%0.685SS**  trans-77.8111149.5-62.8173000104.9M137I135-M137 PolarHBondContact O-N 3.23Å
136S25Very low28.1Very low77 Ų77123.1 Ų123.154%0.53869%0.693SS.*  trans-58.9103.3174-51.30000109.1S134 Y138S134-S136 PolarHBondContact O-N 2.94Å; S136-Y138 PolarHBondContact O-N 2.91Å
137M27.3Very low27.4Very low117 Ų117126.3 Ų126.358%0.57670%0.703SS**  trans-77.797.9170.7-67.1-168.1-163.300107.9I135 T139I135-M137 PolarHBondContact O-N 3.23Å; M137-T139 PolarHBondContact O-N 3.32Å; M137-T139 VanDerWaalsContact O-N 3.15Å
138Y24.5Very low26.9Very low186 Ų186133.1 Ų133.173%0.72972%0.724SS**  trans-71.3106167.4-65.2-85.1000108.4S136 N140S136-Y138 PolarHBondContact O-N 2.91Å; Y138-N140 VanDerWaalsContact C-N 3.26Å; Y138-N140 PolarHBondContact O-N 3.29Å
139T26.7Very low26.4Very low120 Ų120134.2 Ų134.274%0.73673%0.725SS**  trans-71.384.4162.9420000108.2M137 I141M137-T139 PolarHBondContact O-N 3.32Å; M137-T139 VanDerWaalsContact O-N 3.15Å; T139-I141 PolarHBondContact O-N 3.24Å
140N22.8Very low26.2Very low132 Ų132138.8 Ų138.871%0.70675%0.746SS**  trans-77.984.2166.5-142.6-10.8000107.6Y138 I142Y138-N140 VanDerWaalsContact C-N 3.26Å; Y138-N140 PolarHBondContact O-N 3.29Å; N140-I142 PolarHBondContact O-N 3.1Å; N140-I142 WeakPolarHBondContact OD1-CD1 3.33Å; N140-I142 WeakPolarHBondContact OD1-CG1 3.14Å
141I25Very low26Very low158 Ų158137.4 Ų137.481%0.8174%0.739SS**  trans-72.282.3167.8-55173.4000106.6T139T139-I141 PolarHBondContact O-N 3.24Å
142I23.1Very low25.8Very low140 Ų140142.4 Ų142.472%0.71876%0.764SS**  trans-118.692.9161.9-54.8176.8000107.2N140N140-I142 PolarHBondContact O-N 3.1Å; N140-I142 WeakPolarHBondContact OD1-CD1 3.33Å; N140-I142 WeakPolarHBondContact OD1-CG1 3.14Å
143G24.5Very low25.6Very low74 Ų74144.4 Ų144.476%0.76377%0.767SS**  trans59.761.7153.300000117.6
144G24Very low25Very low79 Ų79143.9 Ų143.981%0.81476%0.764SS**  trans-9699.5166.700000111.5T146G144-T146 PolarHBondContact O-N 3.41Å
145R22Very low24.8Very low236 Ų236147.9 Ų147.989%0.89177%0.774SS**  trans-58.6131.1172.8-86.7177.2169.3164.3-3.8110.8I147R145-I147 PolarHBondContact O-N 3.08Å
146T22.3Very low24.4Very low130 Ų130147.6 Ų147.680%0.79877%0.774SS**  trans-58.6120.3165.3-39.30000109.3G144G144-T146 PolarHBondContact O-N 3.41Å
147I21.5Very low24.3Very low155 Ų155153.5 Ų153.580%0.79579%0.794SS**  trans-106.9128.5164.3-51.1178.1000105.5R145R145-I147 PolarHBondContact O-N 3.08Å
148W28.1Very low24Very low315 Ų315156.8 Ų156.8100%1.19381%0.814SS**  trans-59.60-175.6-64.580.3000113

Retrieved 148 of 148 residues in 69 ms (Link to these results)