A0A060XNK9_ONCMY Loading...

NFKB inhibitor interacting Ras-like 1

AlphaFold DB , UniProt , Accession A0A060XNK9, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 192 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M36.8Very low81.5Confident235 Ų23555.8 Ų55.8100%1.15831%0.309SS*.  0113.90-78.3160.973.400107.9
2G49.5Very low82.8Confident77 Ų7752.3 Ų52.379%0.79429%0.29SS*.  trans-63145.8177.900000110.7G4G2-G4 PolarHBondContact O-N 3.06Å; G2-G4 VanDerWaalsContact O-N 3.15Å
3K61.1Low83.7Confident202 Ų20250.8 Ų50.888%0.87829%0.288SS*.  trans-62.1115.5172.1-72.8175.5176.3175.80107.3
4G77.5Confident84.4Confident15 Ų1554.6 Ų54.616%0.15532%0.32CS..PPolyproline II helixtrans-56.8142.4176.600000111.5G2 Q56G2-G4 PolarHBondContact O-N 3.06Å; G2-G4 VanDerWaalsContact O-N 3.15Å; G4-Q56 WeakPolarHBondContact CA-O 3.42Å
5C90.7Very high85.2Confident20 Ų2051.2 Ų51.214%0.13530%0.3CS..EExtended strand (participates in β ladder)trans-64.7134.6-176.8-63.40000110.4Q56 L57 R58 D80 L168C5-Q56 PolarHBondContact N-O 3.11Å; C5-L57 HydrophobicContact CB-CD2 3.81Å; C5-L57 WeakPolarHBondContact O-CA 3.25Å; C5-R58 PolarHBondContact O-N 3.08Å; C5-D80 WeakPolarHBondContact CA-OD2 3.35Å; C5-D80 HydrophobicContact CB-CB 4.28Å; C5-L168 HydrophobicContact CB-CB 4.29Å; C5-L168 HydrophobicContact CB-CD1 4.17Å
6K94Very high85.8Confident64 Ų6449.1 Ų49.128%0.27829%0.292SS..EExtended strand (participates in β ladder)trans-92119.5179.1-61.9178.4-176.6174.30109.4Y60 V78 D80 G81K6-Y60 HydrophobicContact CB-CD2 4.32Å; K6-Y60 HydrophobicContact CB-CE2 3.65Å; K6-Y60 HydrophobicContact CD-CE2 4.11Å; K6-Y60 HydrophobicContact CG-CE2 3.77Å; K6-V78 HydrophobicContact CD-CB 4.44Å; K6-V78 WeakPolarHBondContact CD-O 3.43Å; K6-D80 PolarHBondContact N-OD2 3.07Å; K6-D80 WeakPolarHBondContact O-CA 3.41Å; K6-D80 WeakPolarHBondContact O-CB 3.5Å; K6-D80 PolarHBondContact O-N 3.48Å; K6-G81 PolarHBondContact O-N 3.34Å
7V96.5Very high86.4Confident0 Ų046.8 Ų46.80%028%0.277CS..EExtended strand (participates in β ladder)trans-117.3126.2178.8175.90000108.5L57 R58 L59 Y60 G81 V83 L164 L168V7-L57 HydrophobicContact CG2-CD1 4.27Å; V7-L57 HydrophobicContact CG2-CD2 4.26Å; V7-R58 PolarHBondContact N-O 3.5Å; V7-L59 HydrophobicContact CB-CD2 3.75Å; V7-L59 HydrophobicContact CG1-CD2 4.08Å; V7-L59 HydrophobicContact CG2-CD2 4.3Å; V7-L59 CarbonylContact O-C 3.4Å; V7-L59 WeakPolarHBondContact O-CA 3.36Å; V7-Y60 PolarHBondContact O-N 3.47Å; V7-G81 VanDerWaalsContact CA-O 3.3Å; V7-G81 WeakPolarHBondContact CA-O 3.36Å; V7-V83 HydrophobicContact CG1-CG2 3.64Å; V7-L164 HydrophobicContact CG1-CD2 3.82Å; V7-L164 HydrophobicContact CG2-CD2 4.11Å; V7-L168 HydrophobicContact CG2-CD1 3.62Å
8V97.4Very high86.9Confident0 Ų045.7 Ų45.70%027%0.271CS..EExtended strand (participates in β ladder)trans-96.6127.3176.2175.90000109.6C10 Y60 T62 L71 Y75 A79 G81 F82 V83V8-C10 HydrophobicContact CG1-CB 4.4Å; V8-Y60 HydrophobicContact CG2-CG 4.49Å; V8-T62 HydrophobicContact CG1-CG2 3.81Å; V8-L71 HydrophobicContact CG1-CD2 4.37Å; V8-Y75 HydrophobicContact CG1-CD1 4.01Å; V8-Y75 HydrophobicContact CG1-CG 4.08Å; V8-Y75 HydrophobicContact CG2-CD1 3.64Å; V8-Y75 HydrophobicContact CG2-CG 4.23Å; V8-A79 HydrophobicContact CB-CB 4.42Å; V8-A79 HydrophobicContact CG2-CB 3.8Å; V8-G81 PolarHBondContact N-O 3.32Å; V8-F82 HydrophobicContact CB-CD1 3.73Å; V8-F82 HydrophobicContact CB-CE1 3.66Å; V8-F82 HydrophobicContact CG1-CD1 4.09Å; V8-F82 HydrophobicContact CG1-CE1 3.92Å; V8-F82 HydrophobicContact CG2-CE1 4.25Å; V8-F82 WeakPolarHBondContact O-CA 3.3Å; V8-V83 PolarHBondContact O-N 2.98Å
9V98.1Very high87.3Confident1 Ų144 Ų441%0.00626%0.263CS..EExtended strand (participates in β ladder)trans-103.4116177-171.50000108.1K17 L21 Y60 T62 V83 V85V9-K17 HydrophobicContact CG1-CB 3.98Å; V9-K17 HydrophobicContact CG1-CD 4.32Å; V9-K17 HydrophobicContact CG1-CG 4.12Å; V9-L21 HydrophobicContact CG2-CD1 4.16Å; V9-L21 HydrophobicContact CG2-CD2 4.12Å; V9-Y60 PolarHBondContact N-O 2.93Å; V9-T62 WeakPolarHBondContact O-CG2 3.26Å; V9-T62 PolarHBondContact O-N 2.92Å; V9-T62 PolarHBondContact O-OG1 2.91Å; V9-V83 WeakPolarHBondContact CA-O 3.28Å; V9-V83 HydrophobicContact CG1-CB 4.29Å; V9-V83 HydrophobicContact CG1-CG1 4.42Å; V9-V83 HydrophobicContact CG2-CB 4.21Å; V9-V83 HydrophobicContact CG2-CG2 4.44Å; V9-V85 HydrophobicContact CG1-CG2 3.84Å
10C97.4Very high87.7Confident0 Ų041.8 Ų41.80%025%0.25CC..EExtended strand (participates in β ladder)trans-143.4157.7-173.461.40000112.9V8 L71 V83 L84 V85V8-C10 HydrophobicContact CG1-CB 4.4Å; C10-L71 HydrophobicContact CB-CD1 3.9Å; C10-L71 HydrophobicContact CB-CD2 4.33Å; C10-V83 PolarHBondContact N-O 3.27Å; C10-L84 WeakPolarHBondContact O-CA 3.49Å; C10-L84 WeakPolarHBondContact SG-CD2 3.35Å; C10-V85 PolarHBondContact O-N 3.49Å
11G97.6Very high88.1Confident0 Ų039.8 Ų39.80%024%0.238CC..  trans158171.9-170.100000110.4K17 L65 V85G11-K17 PolarHBondContact O-NZ 3.29Å; G11-L65 PolarHBondContact O-N 3.47Å; G11-L65 VanDerWaalsContact O-N 3.16Å; G11-V85 WeakPolarHBondContact CA-O 3.48Å
12L96.9Very high90.7Very high14 Ų1431.5 Ų31.57%0.07320%0.196CC..BIsolated β-bridgetrans-56.7163.7178.6-79.2-175.8000112.4V15 K17 L65 E92 S93 R96L12-V15 HydrophobicContact CB-CG1 3.95Å; L12-V15 VanDerWaalsContact O-CG2 3.27Å; L12-V15 WeakPolarHBondContact O-CG2 3.37Å; L12-K17 PolarHBondContact O-NZ 2.93Å; L12-K17 VanDerWaalsContact O-NZ 3.07Å; L12-L65 CarbonylContact C-O 3.59Å; L12-L65 WeakPolarHBondContact CA-O 3.34Å; L12-L65 HydrophobicContact CD2-CB 4.27Å; L12-L65 WeakPolarHBondContact CD2-O 3.36Å; L12-E92 HydrophobicContact CD1-CB 4.34Å; L12-E92 HydrophobicContact CD1-CG 3.95Å; L12-S93 VanDerWaalsContact CD1-CA 3.46Å; L12-R96 HydrophobicContact CD1-CB 4.24Å; L12-R96 HydrophobicContact CD2-CB 4.22Å; L12-R96 HydrophobicContact CD2-CG 3.96Å; L12-R96 HydrophobicContact CG-CB 3.81Å; L12-R96 HydrophobicContact CG-CG 3.97Å
13A94.8Very high92.9Very high32 Ų3228.6 Ų28.626%0.26416%0.162SC..THydrogen-bonded Turntrans-53.9146.5166.600000111.1V15 G64 L65A13-V15 PolarHBondContact O-N 3.39Å; A13-G64 VanDerWaalsContact CA-CA 3.5Å; A13-L65 PolarHBondContact N-O 3.44Å
14S93.5Very high94.4Very high105 Ų10519.7 Ų19.773%0.73412%0.124SC*.THydrogen-bonded Turntrans63.811.7172.3-48.20000117G16 K121S14-G16 VanDerWaalsContact C-N 3.27Å; S14-G16 PolarHBondContact O-N 3.15Å; S14-K121 VanDerWaalsContact O-CE 3.3Å; S14-K121 WeakPolarHBondContact O-CE 3.49Å; S14-K121 PolarHBondContact O-NZ 3.28Å
15V96.2Very high95.1Very high3 Ų320.9 Ų20.92%0.01813%0.126CC..SBendtrans-76.1-12.4173-56.80000113.6L12 A13 K17 V85 N120L12-V15 HydrophobicContact CB-CG1 3.95Å; L12-V15 VanDerWaalsContact O-CG2 3.27Å; L12-V15 WeakPolarHBondContact O-CG2 3.37Å; A13-V15 PolarHBondContact O-N 3.39Å; V15-K17 HydrophobicContact CG2-CD 4.45Å; V15-K17 HydrophobicContact CG2-CG 3.74Å; V15-V85 HydrophobicContact CB-CG1 4.14Å; V15-V85 HydrophobicContact CG2-CB 3.85Å; V15-V85 HydrophobicContact CG2-CG1 3.66Å; V15-N120 PolarHBondContact O-ND2 2.96Å
16G95Very high95.1Very high17 Ų1726.4 Ų26.418%0.17515%0.145CC..  trans94.631.7176.300000115.9S14 A19 I20S14-G16 VanDerWaalsContact C-N 3.27Å; S14-G16 PolarHBondContact O-N 3.15Å; G16-A19 PolarHBondContact O-N 3.25Å; G16-I20 WeakPolarHBondContact O-CB 3.49Å; G16-I20 WeakPolarHBondContact O-CD1 3.35Å; G16-I20 VanDerWaalsContact O-CG1 3.24Å; G16-I20 WeakPolarHBondContact O-CG1 3.4Å; G16-I20 PolarHBondContact O-N 3.03Å
17K96.3Very high94.7Very high11 Ų1124.9 Ų24.95%0.04815%0.148CC..Hα-helixtrans-55.7-57.7177.3-61.5-174.6-62.3-67.30112.3V9 G11 L12 V15 A19 I20 L21 D61 T62 G64 V85V9-K17 HydrophobicContact CG1-CB 3.98Å; V9-K17 HydrophobicContact CG1-CD 4.32Å; V9-K17 HydrophobicContact CG1-CG 4.12Å; G11-K17 PolarHBondContact O-NZ 3.29Å; L12-K17 PolarHBondContact O-NZ 2.93Å; L12-K17 VanDerWaalsContact O-NZ 3.07Å; V15-K17 HydrophobicContact CG2-CD 4.45Å; V15-K17 HydrophobicContact CG2-CG 3.74Å; K17-A19 PolarHBondContact O-N 3.32Å; K17-I20 WeakPolarHBondContact O-CB 3.31Å; K17-I20 PolarHBondContact O-N 3.48Å; K17-L21 WeakPolarHBondContact O-CG 3.41Å; K17-L21 PolarHBondContact O-N 3.47Å; K17-L21 VanDerWaalsContact O-N 3.17Å; K17-D61 WeakPolarHBondContact CB-OD1 3.47Å; K17-T62 WeakPolarHBondContact CE-O 3.46Å; K17-G64 VanDerWaalsContact NZ-CA 3.32Å; K17-V85 HydrophobicContact CG-CB 4.08Å; K17-V85 HydrophobicContact CG-CG2 4.11Å
18T94.8Very high93.5Very high26 Ų2630.2 Ų30.216%0.1618%0.176CC..Hα-helixtrans-59.6-46.1177.9-45.30000111.6I20 L21 E22 T38 Y43 D61T18-I20 VanDerWaalsContact C-N 3.32Å; T18-I20 PolarHBondContact O-N 3.48Å; T18-L21 PolarHBondContact O-N 3.15Å; T18-E22 HydrophobicContact CG2-CG 4.29Å; T18-E22 WeakPolarHBondContact O-CG 3.28Å; T18-E22 PolarHBondContact O-N 3.13Å; T18-T38 PolarHBondContact OG1-OG1 3.33Å; T18-Y43 WeakPolarHBondContact CG2-OH 3.45Å; T18-D61 WeakPolarHBondContact CA-OD2 3.37Å; T18-D61 VanDerWaalsContact CB-OD2 3.26Å; T18-D61 WeakPolarHBondContact CB-OD2 3.39Å; T18-D61 WeakPolarHBondContact CG2-OD2 3.24Å; T18-D61 PolarHBondContact OG1-OD2 2.78Å
19A94.3Very high92.3Very high14 Ų1431.7 Ų31.712%0.11618%0.183CC..Hα-helixtrans-58.9-40.2177.900000113G16 K17 Q23 H29 V151G16-A19 PolarHBondContact O-N 3.25Å; K17-A19 PolarHBondContact O-N 3.32Å; A19-Q23 WeakPolarHBondContact O-CB 3.42Å; A19-Q23 PolarHBondContact O-N 3.1Å; A19-H29 VanDerWaalsContact CB-CE1 3.46Å; A19-H29 WeakPolarHBondContact CB-CE1 3.49Å; A19-V151 HydrophobicContact CB-CG1 3.96Å
20I95.9Very high90.7Very high0 Ų034.5 Ų34.50%021%0.206CC..Hα-helixtrans-60.7-45.8173.3-74.5163.5000110.6G16 K17 T18 L24 V85 L118 N120 V151 L157 F161G16-I20 WeakPolarHBondContact O-CB 3.49Å; G16-I20 WeakPolarHBondContact O-CD1 3.35Å; G16-I20 VanDerWaalsContact O-CG1 3.24Å; G16-I20 WeakPolarHBondContact O-CG1 3.4Å; G16-I20 PolarHBondContact O-N 3.03Å; K17-I20 WeakPolarHBondContact O-CB 3.31Å; K17-I20 PolarHBondContact O-N 3.48Å; T18-I20 VanDerWaalsContact C-N 3.32Å; T18-I20 PolarHBondContact O-N 3.48Å; I20-L24 WeakPolarHBondContact O-CB 3.44Å; I20-L24 PolarHBondContact O-N 2.63Å; I20-V85 HydrophobicContact CD1-CG1 3.68Å; I20-V85 HydrophobicContact CD1-CG2 4.31Å; I20-L118 HydrophobicContact CD1-CD1 4.15Å; I20-L118 HydrophobicContact CG2-CD1 4.12Å; I20-N120 HydrophobicContact CD1-CB 4.08Å; I20-V151 HydrophobicContact CG1-CG1 3.78Å; I20-L157 HydrophobicContact CG1-CD2 4.29Å; I20-L157 HydrophobicContact CG2-CD2 4.1Å; I20-F161 HydrophobicContact CG2-CE2 3.93Å; I20-F161 HydrophobicContact CG2-CZ 4.03Å
21L95.2Very high89.1Confident0 Ų039.7 Ų39.70%024%0.238CC..Hα-helixtrans-66.9-49-178-64.4-170.4000112.2V9 K17 T18 Q23 L24 L25 Y43 L59 D61 F161V9-L21 HydrophobicContact CG2-CD1 4.16Å; V9-L21 HydrophobicContact CG2-CD2 4.12Å; K17-L21 WeakPolarHBondContact O-CG 3.41Å; K17-L21 PolarHBondContact O-N 3.47Å; K17-L21 VanDerWaalsContact O-N 3.17Å; T18-L21 PolarHBondContact O-N 3.15Å; L21-Q23 VanDerWaalsContact C-N 3.31Å; L21-Q23 PolarHBondContact O-N 3.21Å; L21-L24 PolarHBondContact O-N 2.68Å; L21-L25 WeakPolarHBondContact O-CB 3.39Å; L21-L25 WeakPolarHBondContact O-CD1 3.39Å; L21-L25 WeakPolarHBondContact O-CG 3.43Å; L21-L25 PolarHBondContact O-N 3.46Å; L21-Y43 HydrophobicContact CB-CD2 4.29Å; L21-Y43 HydrophobicContact CB-CE2 4.41Å; L21-Y43 HydrophobicContact CD1-CD2 3.57Å; L21-Y43 HydrophobicContact CD1-CE2 3.94Å; L21-Y43 HydrophobicContact CD1-CG 4.35Å; L21-L59 HydrophobicContact CD1-CB 4.13Å; L21-L59 HydrophobicContact CD2-CB 4.27Å; L21-L59 HydrophobicContact CD2-CD1 3.53Å; L21-L59 HydrophobicContact CD2-CG 4.46Å; L21-D61 HydrophobicContact CD1-CB 3.77Å; L21-F161 HydrophobicContact CD2-CE1 4.2Å; L21-F161 HydrophobicContact CD2-CZ 4.03Å
22E93Very high87.3Confident60 Ų6043.4 Ų43.428%0.2828%0.276SS..Hα-helixtrans-61.2-42.3177.7-69.1-180158.300111.3T18 L25 Y26 G27 H29 Y43T18-E22 HydrophobicContact CG2-CG 4.29Å; T18-E22 WeakPolarHBondContact O-CG 3.28Å; T18-E22 PolarHBondContact O-N 3.13Å; E22-L25 PolarHBondContact O-N 3.4Å; E22-Y26 HydrophobicContact CB-CD2 4.18Å; E22-Y26 HydrophobicContact CG-CD2 4.4Å; E22-Y26 HydrophobicContact CG-CE2 4.45Å; E22-Y26 WeakPolarHBondContact O-CA 3.48Å; E22-Y26 WeakPolarHBondContact O-CB 3.38Å; E22-Y26 PolarHBondContact O-N 2.73Å; E22-G27 PolarHBondContact O-N 3Å; E22-H29 IonicContact OE2-ND1 3.65Å; E22-Y43 HydrophobicContact CG-CE1 4.27Å
23Q93.8Very high85.8Confident16 Ų1645.2 Ų45.28%0.07529%0.29CS..Hα-helixtrans-68.3-39.6178.8-174.567.5-2700112.4A19 L21 L25 G27 H29 V151 R154 L157A19-Q23 WeakPolarHBondContact O-CB 3.42Å; A19-Q23 PolarHBondContact O-N 3.1Å; L21-Q23 VanDerWaalsContact C-N 3.31Å; L21-Q23 PolarHBondContact O-N 3.21Å; Q23-L25 VanDerWaalsContact C-N 3.35Å; Q23-G27 VanDerWaalsContact O-CA 3.31Å; Q23-G27 WeakPolarHBondContact O-CA 3.46Å; Q23-G27 PolarHBondContact O-N 2.67Å; Q23-G27 VanDerWaalsContact O-N 3.14Å; Q23-H29 HydrophobicContact CB-CB 3.84Å; Q23-H29 HydrophobicContact CG-CB 4.35Å; Q23-H29 VanDerWaalsContact OE1-CB 3.31Å; Q23-V151 VanDerWaalsContact CG-O 3.26Å; Q23-V151 WeakPolarHBondContact CG-O 3.38Å; Q23-V151 PolarHBondContact NE2-O 2.92Å; Q23-R154 HydrophobicContact CG-CB 4.17Å; Q23-R154 HydrophobicContact CG-CG 4.26Å; Q23-R154 WeakPolarHBondContact O-CD 3.26Å; Q23-R154 PolarHBondContact O-NE 3.25Å; Q23-R154 VanDerWaalsContact O-NE 3.07Å; Q23-L157 HydrophobicContact CB-CD1 3.89Å; Q23-L157 HydrophobicContact CG-CD1 3.83Å
24L93.3Very high84.3Confident15 Ų1553 Ų538%0.07932%0.321CS..Hα-helixtrans-59.2-48.4174.4179.170.5000110.6I20 L21 R154 L157 I158 F161I20-L24 WeakPolarHBondContact O-CB 3.44Å; I20-L24 PolarHBondContact O-N 2.63Å; L21-L24 PolarHBondContact O-N 2.68Å; L24-R154 PolarHBondContact O-NH2 3.06Å; L24-L157 HydrophobicContact CB-CD1 4.46Å; L24-L157 HydrophobicContact CD1-CB 4Å; L24-I158 HydrophobicContact CD1-CD1 3.96Å; L24-F161 HydrophobicContact CD1-CB 4.47Å; L24-F161 HydrophobicContact CD1-CD2 4.26Å; L24-F161 HydrophobicContact CD1-CG 4.4Å; L24-F161 HydrophobicContact CD2-CB 4.13Å; L24-F161 HydrophobicContact CD2-CD1 3.53Å; L24-F161 HydrophobicContact CD2-CD2 3.74Å; L24-F161 HydrophobicContact CD2-CE1 3.73Å; L24-F161 HydrophobicContact CD2-CE2 3.91Å; L24-F161 HydrophobicContact CD2-CG 3.51Å; L24-F161 HydrophobicContact CD2-CZ 3.9Å
25L92.1Very high82.9Confident41 Ų4152.9 Ų52.922%0.21532%0.32CS..Hα-helixtrans-80.9-49.6-170.2-65.5169.3000113.4L21 E22 Q23 Y43 A45L21-L25 WeakPolarHBondContact O-CB 3.39Å; L21-L25 WeakPolarHBondContact O-CD1 3.39Å; L21-L25 WeakPolarHBondContact O-CG 3.43Å; L21-L25 PolarHBondContact O-N 3.46Å; E22-L25 PolarHBondContact O-N 3.4Å; Q23-L25 VanDerWaalsContact C-N 3.35Å; L25-Y43 HydrophobicContact CD1-CD1 3.64Å; L25-Y43 HydrophobicContact CD1-CG 3.88Å; L25-A45 HydrophobicContact CD2-CB 3.49Å; L25-A45 VanDerWaalsContact CD2-CB 3.49Å
26Y90.3Very high82Confident135 Ų13558.9 Ų58.953%0.52936%0.357SS..THydrogen-bonded Turntrans-105.9-23.6-169-50.3-53.9000112.2E22 N28 Y43E22-Y26 HydrophobicContact CB-CD2 4.18Å; E22-Y26 HydrophobicContact CG-CD2 4.4Å; E22-Y26 HydrophobicContact CG-CE2 4.45Å; E22-Y26 WeakPolarHBondContact O-CA 3.48Å; E22-Y26 WeakPolarHBondContact O-CB 3.38Å; E22-Y26 PolarHBondContact O-N 2.73Å; Y26-N28 VanDerWaalsContact CB-OD1 3.26Å; Y26-N28 WeakPolarHBondContact CB-OD1 3.4Å; Y26-N28 PolarHBondContact O-N 3.19Å; Y26-Y43 HydrophobicContact CE2-CD1 4.32Å; Y26-Y43 HydrophobicContact CE2-CE1 4.17Å
27G86Confident81.6Confident32 Ų3264.3 Ų64.333%0.3338%0.377SS..SBendtrans62.222.6-178.600000113.8E22 Q23E22-G27 PolarHBondContact O-N 3Å; Q23-G27 VanDerWaalsContact O-CA 3.31Å; Q23-G27 WeakPolarHBondContact O-CA 3.46Å; Q23-G27 PolarHBondContact O-N 2.67Å; Q23-G27 VanDerWaalsContact O-N 3.14Å
28N72.4Confident81.2Confident112 Ų11265.1 Ų65.160%0.59938%0.383SS*.  trans-114.611.6-174.768.2-9.7000112.8Y26 A30Y26-N28 VanDerWaalsContact CB-OD1 3.26Å; Y26-N28 WeakPolarHBondContact CB-OD1 3.4Å; Y26-N28 PolarHBondContact O-N 3.19Å; N28-A30 PolarHBondContact O-N 3.36Å; N28-A30 VanDerWaalsContact O-N 3.08Å
29H70.6Confident80.7Confident32 Ų3271.6 Ų71.615%0.14841%0.412CS..  trans-70.4111.2-179.2-169.577.4000109.6A19 E22 Q23 S33A19-H29 VanDerWaalsContact CB-CE1 3.46Å; A19-H29 WeakPolarHBondContact CB-CE1 3.49Å; E22-H29 IonicContact OE2-ND1 3.65Å; Q23-H29 HydrophobicContact CB-CB 3.84Å; Q23-H29 HydrophobicContact CG-CB 4.35Å; Q23-H29 VanDerWaalsContact OE1-CB 3.31Å; H29-S33 PolarHBondContact CE1-OG 3.25Å; H29-S33 VanDerWaalsContact CE1-OG 3.29Å
30A64.7Low80.4Confident59 Ų5976.7 Ų76.749%0.48843%0.433SS..  trans-84.4129.9176.300000110.1N28 G32 S33N28-A30 PolarHBondContact O-N 3.36Å; N28-A30 VanDerWaalsContact O-N 3.08Å; A30-G32 PolarHBondContact O-N 3.06Å; A30-S33 WeakPolarHBondContact O-CB 3.5Å; A30-S33 PolarHBondContact O-N 2.99Å; A30-S33 PolarHBondContact O-OG 3.04Å
31V63.6Low80.3Confident110 Ų11080.6 Ų80.667%0.66745%0.454SS*.THydrogen-bonded Turntrans-59125.7173.1-175.40000109T152V31-T152 HydrophobicContact CG2-CG2 3.53Å
32G60.8Low80.3Confident78 Ų7883.9 Ų83.980%0.80447%0.474SS*.THydrogen-bonded Turntrans83.99.8-177.500000114.9A30 E34A30-G32 PolarHBondContact O-N 3.06Å; G32-E34 PolarHBondContact O-N 3.4Å
33S65.3Low80.4Confident51 Ų5182 Ų8236%0.35747%0.465SS..  trans-61133.4166.450.90000110.3H29 A30 S35H29-S33 PolarHBondContact CE1-OG 3.25Å; H29-S33 VanDerWaalsContact CE1-OG 3.29Å; A30-S33 WeakPolarHBondContact O-CB 3.5Å; A30-S33 PolarHBondContact O-N 2.99Å; A30-S33 PolarHBondContact O-OG 3.04Å; S33-S35 PolarHBondContact O-N 3.31Å; S33-S35 VanDerWaalsContact O-N 3.1Å
34E62.2Low80.4Confident196 Ų19685.3 Ų85.392%0.91649%0.486SS*.  trans-64.3114.3170.9-66.9-153153.200108.2G32G32-E34 PolarHBondContact O-N 3.4Å
35S65.9Low80.3Confident102 Ų10284.6 Ų84.671%0.71348%0.482SS*.PPolyproline II helixtrans-92.8124.6172.535.40000108.1S33S33-S35 PolarHBondContact O-N 3.31Å; S33-S35 VanDerWaalsContact O-N 3.1Å
36T76.9Confident80.4Confident130 Ų13086.5 Ų86.580%0.79850%0.499SS*.PPolyproline II helixtrans-74150.1169.449.50000109.2T38T36-T38 PolarHBondContact O-N 2.98Å
37E85.8Confident80.5Confident130 Ų13080.8 Ų80.861%0.60748%0.478SS*.PPolyproline II helixtrans-64.4119.1176-170.9-175.5168.100109.8Q39 H66E37-Q39 PolarHBondContact O-N 3.3Å; E37-H66 IonicContact OE1-NE2 2.75Å
38T87.4Confident80.8Confident28 Ų2884 Ų8417%0.17249%0.485CS..PPolyproline II helixtrans-65.1129.4176.6-46.40000110.3T18 T36 D61 R63T18-T38 PolarHBondContact OG1-OG1 3.33Å; T36-T38 PolarHBondContact O-N 2.98Å; T38-D61 HydrophobicContact CG2-CB 4.48Å; T38-D61 WeakPolarHBondContact CG2-OD2 3.48Å; T38-R63 VanDerWaalsContact O-CA 3.26Å; T38-R63 WeakPolarHBondContact O-CA 3.28Å; T38-R63 VanDerWaalsContact O-CB 3.27Å; T38-R63 WeakPolarHBondContact O-CB 3.27Å; T38-R63 VanDerWaalsContact O-CG 3.26Å; T38-R63 WeakPolarHBondContact O-CG 3.48Å
39Q86.1Confident81.7Confident163 Ų16379 Ų7976%0.76246%0.457SS*.  trans-82.4-77.7164.9-65.7-168.6-8.600109.2E37 R63E37-Q39 PolarHBondContact O-N 3.3Å; Q39-R63 VanDerWaalsContact O-CB 3.28Å; Q39-R63 WeakPolarHBondContact O-CB 3.26Å; Q39-R63 PolarHBondContact O-N 3.24Å
40E88.1Confident82.6Confident121 Ų12183.1 Ų83.157%0.56548%0.481SS*.EExtended strand (participates in β ladder)trans-152137.8169.1-64.5-175.3175.600107.7Y75E40-Y75 WeakPolarHBondContact CG-OH 3.43Å; E40-Y75 PolarHBondContact OE1-OH 2.82Å; E40-Y75 VanDerWaalsContact OE1-OH 3.13Å; E40-Y75 PolarHBondContact OE2-OH 2.84Å
41D92.9Very high83.8Confident82 Ų8285.6 Ų85.644%0.43948%0.478SS..EExtended strand (participates in β ladder)trans-142160.3174-153-14.9000110.9Y43 D61D41-Y43 HydrophobicContact CB-CE2 4.06Å; D41-D61 HydrophobicContact CB-CB 4.43Å; D41-D61 PolarHBondContact N-O 2.92Å; D41-D61 PolarHBondContact O-N 3.45Å
42V95.1Very high85Confident69 Ų6982.5 Ų82.542%0.41847%0.468SS..EExtended strand (participates in β ladder)trans-128.8110.8178.2-1760000110.1R58 L59 Y60V42-R58 HydrophobicContact CG1-CB 4.3Å; V42-L59 CarbonylContact C-O 3.51Å; V42-L59 WeakPolarHBondContact CA-O 3.19Å; V42-Y60 HydrophobicContact CG2-CD1 3.75Å; V42-Y60 HydrophobicContact CG2-CE1 3.88Å; V42-Y60 HydrophobicContact CG2-CG 4.37Å
43Y94.6Very high86.4Confident20 Ų2082 Ų828%0.07845%0.45CS..EExtended strand (participates in β ladder)trans-92.5144174-59.8-97.5000111T18 L21 E22 L25 Y26 D41 R58 L59 D61T18-Y43 WeakPolarHBondContact CG2-OH 3.45Å; L21-Y43 HydrophobicContact CB-CD2 4.29Å; L21-Y43 HydrophobicContact CB-CE2 4.41Å; L21-Y43 HydrophobicContact CD1-CD2 3.57Å; L21-Y43 HydrophobicContact CD1-CE2 3.94Å; L21-Y43 HydrophobicContact CD1-CG 4.35Å; E22-Y43 HydrophobicContact CG-CE1 4.27Å; L25-Y43 HydrophobicContact CD1-CD1 3.64Å; L25-Y43 HydrophobicContact CD1-CG 3.88Å; Y26-Y43 HydrophobicContact CE2-CD1 4.32Å; Y26-Y43 HydrophobicContact CE2-CE1 4.17Å; D41-Y43 HydrophobicContact CB-CE2 4.06Å; Y43-R58 CarbonylContact O-C 3.56Å; Y43-R58 WeakPolarHBondContact O-CA 3.41Å; Y43-L59 PolarHBondContact N-O 3.22Å; Y43-L59 PolarHBondContact O-N 2.64Å; Y43-D61 HydrophobicContact CD2-CB 4.11Å; Y43-D61 HydrophobicContact CE2-CB 3.76Å
44V94.4Very high87.7Confident86 Ų8686.3 Ų86.352%0.52146%0.462SS..EExtended strand (participates in β ladder)trans-107.2113.6172.6-1780000109.1L57V44-L57 WeakPolarHBondContact CA-O 3.49Å
45A92.2Very high89.1Confident0 Ų080 Ų800%043%0.432CS..EExtended strand (participates in β ladder)trans-104.3132-179.600000110.7L25 V47 Q56 L57 L59L25-A45 HydrophobicContact CD2-CB 3.49Å; L25-A45 VanDerWaalsContact CD2-CB 3.49Å; A45-V47 HydrophobicContact CB-CG2 3.93Å; A45-Q56 CarbonylContact O-C 3.52Å; A45-Q56 VanDerWaalsContact O-CA 3.32Å; A45-Q56 WeakPolarHBondContact O-CA 3.47Å; A45-L57 HydrophobicContact CB-CB 4.3Å; A45-L57 PolarHBondContact N-O 3.35Å; A45-L57 PolarHBondContact O-N 2.9Å; A45-L59 HydrophobicContact CB-CD1 3.82Å; A45-L59 HydrophobicContact CB-CG 4.26Å
46S92.9Very high90.4Very high80 Ų8080.6 Ų80.656%0.55942%0.424SS*.EExtended strand (participates in β ladder)trans-97.899.4165.6175.80000108.5E55S46-E55 WeakPolarHBondContact CA-O 3.42Å
47V92.7Very high91.3Very high16 Ų1674.4 Ų74.410%0.09739%0.386CS..EExtended strand (participates in β ladder)trans-103.5131.9-176.4-176.10000109.7A45 K54 E55 L57 T165A45-V47 HydrophobicContact CB-CG2 3.93Å; V47-K54 WeakPolarHBondContact O-CA 3.3Å; V47-E55 PolarHBondContact N-O 3.38Å; V47-E55 PolarHBondContact O-N 3.27Å; V47-L57 HydrophobicContact CG2-CD1 4.18Å; V47-L57 HydrophobicContact CG2-CG 4.47Å; V47-T165 HydrophobicContact CB-CG2 4.16Å; V47-T165 WeakPolarHBondContact CB-OG1 3.11Å; V47-T165 HydrophobicContact CG1-CG2 4.43Å; V47-T165 WeakPolarHBondContact CG1-OG1 3.47Å
48E92Very high91.7Very high100 Ų10073.3 Ų73.347%0.46738%0.376SS..EExtended strand (participates in β ladder)trans-81.3124.8171.9-164.4166.8131.500109.7K54 T162E48-K54 HydrophobicContact CB-CG 4.3Å; E48-K54 HydrophobicContact CG-CG 4.33Å; E48-K54 WeakPolarHBondContact OE2-CE 3.47Å; E48-T162 WeakPolarHBondContact O-CG2 3.37Å; E48-T162 PolarHBondContact O-OG1 2.94Å
49T92.2Very high92.2Very high5 Ų572 Ų723%0.03137%0.368CS..PPolyproline II helixtrans-73.4161.3174.858.50000110.8R51 G52 V53 E55 T165 S166T49-R51 PolarHBondContact O-N 2.75Å; T49-G52 PolarHBondContact O-N 3.01Å; T49-V53 WeakPolarHBondContact CB-O 3.41Å; T49-V53 WeakPolarHBondContact CG2-O 3.37Å; T49-V53 PolarHBondContact N-O 3.46Å; T49-V53 WeakPolarHBondContact OG1-CB 3.26Å; T49-V53 PolarHBondContact OG1-N 3.29Å; T49-V53 VanDerWaalsContact OG1-N 3.16Å; T49-V53 PolarHBondContact OG1-O 3.26Å; T49-E55 HydrophobicContact CG2-CB 4.5Å; T49-E55 HydrophobicContact CG2-CG 3.92Å; T49-T165 HydrophobicContact CG2-CG2 3.75Å; T49-S166 WeakPolarHBondContact CA-OG 3.26Å; T49-S166 WeakPolarHBondContact CB-OG 3.5Å
50D89.4Confident92.7Very high120 Ų12066.5 Ų66.564%0.64234%0.341SS*.THydrogen-bonded Turntrans-52.6-18.8169.462.3-17.5000114.7S166D50-S166 PolarHBondContact N-OG 3Å; D50-S166 VanDerWaalsContact OD1-CB 3.25Å; D50-S166 WeakPolarHBondContact OD1-CB 3.43Å; D50-S166 PolarHBondContact OD1-OG 3.22Å
51R89.3Confident93Very high110 Ų11060.7 Ų60.742%0.41531%0.314SS..THydrogen-bonded Turntrans-89.63.1176.1-61.9171.9-64.9-170.23.8113.8T49 V53 T169T49-R51 PolarHBondContact O-N 2.75Å; R51-V53 VanDerWaalsContact C-N 3.27Å; R51-V53 HydrophobicContact CB-CG2 4.44Å; R51-V53 PolarHBondContact O-N 2.84Å; R51-T169 PolarHBondContact NH2-O 3.48Å; R51-T169 VanDerWaalsContact NH2-O 3.14Å; R51-T169 PolarHBondContact NH2-OG1 2.77Å
52G88.5Confident93.1Very high46 Ų4657 Ų5747%0.47429%0.294SS..SBendtrans74.413.1-175.800000114.3T49T49-G52 PolarHBondContact O-N 3.01Å
53V90.8Very high93Very high68 Ų6859.6 Ų59.641%0.41230%0.296SS..  trans-96.3129.5177.6-178.20000109.4T49 R51 E55T49-V53 WeakPolarHBondContact CB-O 3.41Å; T49-V53 WeakPolarHBondContact CG2-O 3.37Å; T49-V53 PolarHBondContact N-O 3.46Å; T49-V53 WeakPolarHBondContact OG1-CB 3.26Å; T49-V53 PolarHBondContact OG1-N 3.29Å; T49-V53 VanDerWaalsContact OG1-N 3.16Å; T49-V53 PolarHBondContact OG1-O 3.26Å; R51-V53 VanDerWaalsContact C-N 3.27Å; R51-V53 HydrophobicContact CB-CG2 4.44Å; R51-V53 PolarHBondContact O-N 2.84Å; V53-E55 HydrophobicContact CG1-CG 4.36Å
54K91.7Very high92.8Very high141 Ų14159 Ų5961%0.61330%0.296SS*.EExtended strand (participates in β ladder)trans-83.9125.9174.1-68.7-175.9179.2-1790110.9V47 E48V47-K54 WeakPolarHBondContact O-CA 3.3Å; E48-K54 HydrophobicContact CB-CG 4.3Å; E48-K54 HydrophobicContact CG-CG 4.33Å; E48-K54 WeakPolarHBondContact OE2-CE 3.47Å
55E93.1Very high92.6Very high63 Ų6355.4 Ų55.429%0.29427%0.274SS..EExtended strand (participates in β ladder)trans-124.4148.1-179-68-71.6179.700110.3S46 V47 T49 V53 T165 T169S46-E55 WeakPolarHBondContact CA-O 3.42Å; V47-E55 PolarHBondContact N-O 3.38Å; V47-E55 PolarHBondContact O-N 3.27Å; T49-E55 HydrophobicContact CG2-CB 4.5Å; T49-E55 HydrophobicContact CG2-CG 3.92Å; V53-E55 HydrophobicContact CG1-CG 4.36Å; E55-T165 HydrophobicContact CB-CG2 3.55Å; E55-T165 HydrophobicContact CG-CG2 4.24Å; E55-T169 HydrophobicContact CB-CG2 3.96Å; E55-T169 HydrophobicContact CG-CG2 3.73Å
56Q92.9Very high92.5Very high114 Ų11459.4 Ų59.453%0.53329%0.292SS..EExtended strand (participates in β ladder)trans-94.4123.6178-71.8-171.7-2.600111.4G4 C5 A45G4-Q56 WeakPolarHBondContact CA-O 3.42Å; C5-Q56 PolarHBondContact N-O 3.11Å; A45-Q56 CarbonylContact O-C 3.52Å; A45-Q56 VanDerWaalsContact O-CA 3.32Å; A45-Q56 WeakPolarHBondContact O-CA 3.47Å
57L94.6Very high91.9Very high0 Ų062.1 Ų62.10%030%0.301CS..EExtended strand (participates in β ladder)trans-102.5141.7166.8-59.1-174.3000110.6C5 V7 V44 A45 V47 L59 T165 L168C5-L57 HydrophobicContact CB-CD2 3.81Å; C5-L57 WeakPolarHBondContact O-CA 3.25Å; V7-L57 HydrophobicContact CG2-CD1 4.27Å; V7-L57 HydrophobicContact CG2-CD2 4.26Å; V44-L57 WeakPolarHBondContact CA-O 3.49Å; A45-L57 HydrophobicContact CB-CB 4.3Å; A45-L57 PolarHBondContact N-O 3.35Å; A45-L57 PolarHBondContact O-N 2.9Å; V47-L57 HydrophobicContact CG2-CD1 4.18Å; V47-L57 HydrophobicContact CG2-CG 4.47Å; L57-L59 HydrophobicContact CB-CD2 3.77Å; L57-L59 HydrophobicContact CB-CG 4.29Å; L57-L59 HydrophobicContact CD1-CD2 3.91Å; L57-T165 VanDerWaalsContact CD1-OG1 3.32Å; L57-T165 WeakPolarHBondContact CD1-OG1 3.1Å; L57-T165 HydrophobicContact CD2-CG2 4.26Å; L57-T165 HydrophobicContact CG-CG2 4.44Å; L57-L168 HydrophobicContact CD2-CD1 4.35Å
58R95.8Very high91Very high108 Ų10864.6 Ų64.641%0.40833%0.329SS..EExtended strand (participates in β ladder)trans-101.5105.3163.8-69.3179177.5161.5-2.5107.9C5 V7 V42 Y43 Y60C5-R58 PolarHBondContact O-N 3.08Å; V7-R58 PolarHBondContact N-O 3.5Å; V42-R58 HydrophobicContact CG1-CB 4.3Å; Y43-R58 CarbonylContact O-C 3.56Å; Y43-R58 WeakPolarHBondContact O-CA 3.41Å; R58-Y60 HydrophobicContact CB-CE2 4.09Å; R58-Y60 WeakPolarHBondContact O-CD2 3.43Å
59L96.9Very high90.8Very high0 Ų063.4 Ų63.40%033%0.326CS..EExtended strand (participates in β ladder)trans-92.3109.3-178-51.9180000108.1V7 L21 V42 Y43 A45 L57 D61 F161V7-L59 HydrophobicContact CB-CD2 3.75Å; V7-L59 HydrophobicContact CG1-CD2 4.08Å; V7-L59 HydrophobicContact CG2-CD2 4.3Å; V7-L59 CarbonylContact O-C 3.4Å; V7-L59 WeakPolarHBondContact O-CA 3.36Å; L21-L59 HydrophobicContact CD1-CB 4.13Å; L21-L59 HydrophobicContact CD2-CB 4.27Å; L21-L59 HydrophobicContact CD2-CD1 3.53Å; L21-L59 HydrophobicContact CD2-CG 4.46Å; V42-L59 CarbonylContact C-O 3.51Å; V42-L59 WeakPolarHBondContact CA-O 3.19Å; Y43-L59 PolarHBondContact N-O 3.22Å; Y43-L59 PolarHBondContact O-N 2.64Å; A45-L59 HydrophobicContact CB-CD1 3.82Å; A45-L59 HydrophobicContact CB-CG 4.26Å; L57-L59 HydrophobicContact CB-CD2 3.77Å; L57-L59 HydrophobicContact CB-CG 4.29Å; L57-L59 HydrophobicContact CD1-CD2 3.91Å; L59-D61 PolarHBondContact O-N 3.27Å; L59-F161 HydrophobicContact CD1-CE1 4.06Å; L59-F161 HydrophobicContact CD2-CE1 4.25Å
60Y96.6Very high90.6Very high47 Ų4768.6 Ų68.618%0.18435%0.353CS..EExtended strand (participates in β ladder)trans-83.5104175.1-68.2-102.5000108K6 V7 V8 V9 V42 R58 Y75K6-Y60 HydrophobicContact CB-CD2 4.32Å; K6-Y60 HydrophobicContact CB-CE2 3.65Å; K6-Y60 HydrophobicContact CD-CE2 4.11Å; K6-Y60 HydrophobicContact CG-CE2 3.77Å; V7-Y60 PolarHBondContact O-N 3.47Å; V8-Y60 HydrophobicContact CG2-CG 4.49Å; V9-Y60 PolarHBondContact N-O 2.93Å; V42-Y60 HydrophobicContact CG2-CD1 3.75Å; V42-Y60 HydrophobicContact CG2-CE1 3.88Å; V42-Y60 HydrophobicContact CG2-CG 4.37Å; R58-Y60 HydrophobicContact CB-CE2 4.09Å; R58-Y60 WeakPolarHBondContact O-CD2 3.43Å; Y60-Y75 HydrophobicContact CD1-CE1 4.13Å; Y60-Y75 HydrophobicContact CG-CE1 4.47Å
61D95.3Very high90.8Very high0 Ų063 Ų630%032%0.324CS..EExtended strand (participates in β ladder)trans-80.6121.2171.8-167.121000109K17 T18 L21 T38 D41 Y43 L59K17-D61 WeakPolarHBondContact CB-OD1 3.47Å; T18-D61 WeakPolarHBondContact CA-OD2 3.37Å; T18-D61 VanDerWaalsContact CB-OD2 3.26Å; T18-D61 WeakPolarHBondContact CB-OD2 3.39Å; T18-D61 WeakPolarHBondContact CG2-OD2 3.24Å; T18-D61 PolarHBondContact OG1-OD2 2.78Å; L21-D61 HydrophobicContact CD1-CB 3.77Å; T38-D61 HydrophobicContact CG2-CB 4.48Å; T38-D61 WeakPolarHBondContact CG2-OD2 3.48Å; D41-D61 HydrophobicContact CB-CB 4.43Å; D41-D61 PolarHBondContact N-O 2.92Å; D41-D61 PolarHBondContact O-N 3.45Å; Y43-D61 HydrophobicContact CD2-CB 4.11Å; Y43-D61 HydrophobicContact CE2-CB 3.76Å; L59-D61 PolarHBondContact O-N 3.27Å
62T94.9Very high90.9Very high3 Ų360.3 Ų60.32%0.01832%0.32CS..EExtended strand (participates in β ladder)trans-104151.2-174.763.50000110.4V8 V9 K17 G64 L71 Y75V8-T62 HydrophobicContact CG1-CG2 3.81Å; V9-T62 WeakPolarHBondContact O-CG2 3.26Å; V9-T62 PolarHBondContact O-N 2.92Å; V9-T62 PolarHBondContact O-OG1 2.91Å; K17-T62 WeakPolarHBondContact CE-O 3.46Å; T62-G64 PolarHBondContact O-N 2.93Å; T62-L71 HydrophobicContact CG2-CD1 4.2Å; T62-Y75 HydrophobicContact CG2-CD2 4.31Å; T62-Y75 HydrophobicContact CG2-CE1 4.07Å; T62-Y75 HydrophobicContact CG2-CE2 3.78Å
63R93.2Very high91Very high124 Ų12466.9 Ų66.947%0.46834%0.336SS..PPolyproline II helixtrans-49.8144.2167.1-174.416758.9138.61.6111.2T38 Q39 L65T38-R63 VanDerWaalsContact O-CA 3.26Å; T38-R63 WeakPolarHBondContact O-CA 3.28Å; T38-R63 VanDerWaalsContact O-CB 3.27Å; T38-R63 WeakPolarHBondContact O-CB 3.27Å; T38-R63 VanDerWaalsContact O-CG 3.26Å; T38-R63 WeakPolarHBondContact O-CG 3.48Å; Q39-R63 VanDerWaalsContact O-CB 3.28Å; Q39-R63 WeakPolarHBondContact O-CB 3.26Å; Q39-R63 PolarHBondContact O-N 3.24Å; R63-L65 PolarHBondContact O-N 3.33Å
64G89.1Confident91Very high7 Ų768 Ų687%0.07234%0.336CS..PPolyproline II helixtrans-48.9123.2165.100000112.5A13 K17 T62A13-G64 VanDerWaalsContact CA-CA 3.5Å; K17-G64 VanDerWaalsContact NZ-CA 3.32Å; T62-G64 PolarHBondContact O-N 2.93Å
65L90.4Very high91.1Very high12 Ų1261.5 Ų61.56%0.06331%0.308CS..BIsolated β-bridgetrans-71.1146.1168.3-60.4177.7000109.2G11 L12 A13 R63 L71 L100G11-L65 PolarHBondContact O-N 3.47Å; G11-L65 VanDerWaalsContact O-N 3.16Å; L12-L65 CarbonylContact C-O 3.59Å; L12-L65 WeakPolarHBondContact CA-O 3.34Å; L12-L65 HydrophobicContact CD2-CB 4.27Å; L12-L65 WeakPolarHBondContact CD2-O 3.36Å; A13-L65 PolarHBondContact N-O 3.44Å; R63-L65 PolarHBondContact O-N 3.33Å; L65-L71 HydrophobicContact CD1-CB 4.46Å; L65-L100 HydrophobicContact CD1-CD1 4.21Å; L65-L100 HydrophobicContact CD1-CD2 3.81Å; L65-L100 HydrophobicContact CD1-CG 4.45Å
66H89.6Confident91Very high84 Ų8459.5 Ų59.539%0.38930%0.298SS..  trans-106.9166.8166.9-59-77000108.9E37 G68 L69E37-H66 IonicContact OE1-NE2 2.75Å; H66-G68 PolarHBondContact O-N 2.93Å; H66-L69 HydrophobicContact CB-CD1 3.92Å; H66-L69 HydrophobicContact CB-CG 4.31Å; H66-L69 WeakPolarHBondContact O-CB 2.91Å; H66-L69 PolarHBondContact O-N 3Å
67D80.2Confident90.7Very high137 Ų13758.6 Ų58.673%0.73330%0.304SS*.THydrogen-bonded Turntrans-55.1136.6177.3-169.627.5000111.2L69D67-L69 PolarHBondContact O-N 3.29Å
68G74.6Confident90.3Very high68 Ų6861 Ų6170%0.70132%0.319SS*.THydrogen-bonded Turntrans71.7-0.2-175.600000116.9H66H66-G68 PolarHBondContact O-N 2.93Å
69L86.8Confident90.2Very high74 Ų7455.9 Ų55.939%0.38730%0.299SS..PPolyproline II helixtrans-96.6125.5176.1-63.2-174.7000112.4H66 D67 R96H66-L69 HydrophobicContact CB-CD1 3.92Å; H66-L69 HydrophobicContact CB-CG 4.31Å; H66-L69 WeakPolarHBondContact O-CB 2.91Å; H66-L69 PolarHBondContact O-N 3Å; D67-L69 PolarHBondContact O-N 3.29Å; L69-R96 PolarHBondContact O-NH2 3.27Å
70D89.1Confident89.9Confident115 Ų11559.3 Ų59.362%0.61532%0.318SS*.PPolyproline II helixtrans-80.1150.2175.5-68.5-24.4000112.9R96D70-R96 IonicContact OD1-NH2 3.48Å
71L92.8Very high89.9Confident3 Ų357.1 Ų57.12%0.01631%0.309CS..PPolyproline II helixtrans-63.8135.3167.1-176.872.6000108.5V8 C10 T62 L65 K73 Y75 Y76 F82 L100V8-L71 HydrophobicContact CG1-CD2 4.37Å; C10-L71 HydrophobicContact CB-CD1 3.9Å; C10-L71 HydrophobicContact CB-CD2 4.33Å; T62-L71 HydrophobicContact CG2-CD1 4.2Å; L65-L71 HydrophobicContact CD1-CB 4.46Å; L71-K73 PolarHBondContact O-N 2.98Å; L71-Y75 HydrophobicContact CD1-CD2 3.66Å; L71-Y75 HydrophobicContact CD1-CE2 4.21Å; L71-Y75 HydrophobicContact CD1-CG 4.36Å; L71-Y75 HydrophobicContact CD2-CD2 4.48Å; L71-Y75 HydrophobicContact CG-CD2 3.87Å; L71-Y75 HydrophobicContact CG-CG 4.37Å; L71-Y76 HydrophobicContact CB-CE2 4Å; L71-Y76 WeakPolarHBondContact CB-OH 3.45Å; L71-Y76 HydrophobicContact CD2-CE1 4.22Å; L71-Y76 HydrophobicContact CD2-CE2 4.19Å; L71-Y76 HydrophobicContact CG-CE2 4.29Å; L71-Y76 WeakPolarHBondContact O-CE2 3.27Å; L71-F82 HydrophobicContact CD2-CE1 4.09Å; L71-L100 HydrophobicContact CB-CD2 4.18Å
72P92.9Very high90Very high53 Ų5357.1 Ų57.134%0.34431%0.309SS..PPolyproline II helixtrans-54.2131.8178.1-31.137000113.2H74 Y75P72-H74 WeakPolarHBondContact CB-CE1 3.49Å; P72-H74 WeakPolarHBondContact CB-ND1 3.45Å; P72-H74 PolarHBondContact O-N 2.95Å; P72-Y75 HydrophobicContact CB-CD2 3.88Å; P72-Y75 HydrophobicContact CB-CE2 4.1Å; P72-Y75 HydrophobicContact CG-CD2 4.12Å; P72-Y75 HydrophobicContact CG-CE2 3.99Å; P72-Y75 WeakPolarHBondContact O-CB 3.45Å; P72-Y75 PolarHBondContact O-N 3.03Å
73K90.7Very high90.1Very high184 Ų18457 Ų5780%0.831%0.308SS*.Hα-helixtrans-52.7-31.7-172.5-69.7-172.7-179.7-179.90114.5L71 Y75 Y76L71-K73 PolarHBondContact O-N 2.98Å; K73-Y75 VanDerWaalsContact C-N 3.26Å; K73-Y75 PolarHBondContact O-N 3.29Å; K73-Y76 PolarHBondContact O-N 3.03Å
74H90.3Very high90.4Very high90 Ų9051 Ų5142%0.41729%0.286SS..Hα-helixtrans-63.8-29.8-178.471-94.8000112.6P72 Y76 S77 V78P72-H74 WeakPolarHBondContact CB-CE1 3.49Å; P72-H74 WeakPolarHBondContact CB-ND1 3.45Å; P72-H74 PolarHBondContact O-N 2.95Å; H74-Y76 PolarHBondContact O-N 3.11Å; H74-S77 PolarHBondContact O-N 3.35Å; H74-S77 VanDerWaalsContact O-N 3.11Å; H74-V78 WeakPolarHBondContact O-CG1 3.43Å; H74-V78 WeakPolarHBondContact O-CG2 3.48Å; H74-V78 PolarHBondContact O-N 3.08Å
75Y92.8Very high90.8Very high6 Ų650.7 Ų50.72%0.02428%0.282CS..Hα-helixtrans-63.3-40.9177.3-73.9-57.2000112.3V8 E40 Y60 T62 L71 P72 K73 S77 V78 A79V8-Y75 HydrophobicContact CG1-CD1 4.01Å; V8-Y75 HydrophobicContact CG1-CG 4.08Å; V8-Y75 HydrophobicContact CG2-CD1 3.64Å; V8-Y75 HydrophobicContact CG2-CG 4.23Å; E40-Y75 WeakPolarHBondContact CG-OH 3.43Å; E40-Y75 PolarHBondContact OE1-OH 2.82Å; E40-Y75 VanDerWaalsContact OE1-OH 3.13Å; E40-Y75 PolarHBondContact OE2-OH 2.84Å; Y60-Y75 HydrophobicContact CD1-CE1 4.13Å; Y60-Y75 HydrophobicContact CG-CE1 4.47Å; T62-Y75 HydrophobicContact CG2-CD2 4.31Å; T62-Y75 HydrophobicContact CG2-CE1 4.07Å; T62-Y75 HydrophobicContact CG2-CE2 3.78Å; L71-Y75 HydrophobicContact CD1-CD2 3.66Å; L71-Y75 HydrophobicContact CD1-CE2 4.21Å; L71-Y75 HydrophobicContact CD1-CG 4.36Å; L71-Y75 HydrophobicContact CD2-CD2 4.48Å; L71-Y75 HydrophobicContact CG-CD2 3.87Å; L71-Y75 HydrophobicContact CG-CG 4.37Å; P72-Y75 HydrophobicContact CB-CD2 3.88Å; P72-Y75 HydrophobicContact CB-CE2 4.1Å; P72-Y75 HydrophobicContact CG-CD2 4.12Å; P72-Y75 HydrophobicContact CG-CE2 3.99Å; P72-Y75 WeakPolarHBondContact O-CB 3.45Å; P72-Y75 PolarHBondContact O-N 3.03Å; K73-Y75 VanDerWaalsContact C-N 3.26Å; K73-Y75 PolarHBondContact O-N 3.29Å; Y75-S77 PolarHBondContact O-N 2.72Å; Y75-V78 PolarHBondContact O-N 3.03Å; Y75-A79 VanDerWaalsContact O-CB 3.26Å; Y75-A79 WeakPolarHBondContact O-CB 3.45Å; Y75-A79 PolarHBondContact O-N 3.11Å
76Y91Very high91.2Very high21 Ų2150.1 Ų50.18%0.08228%0.279CS..Hα-helixtrans-63-28.7174.1-52.5-88000112.9L71 K73 H74 F82 E103 I104 R108L71-Y76 HydrophobicContact CB-CE2 4Å; L71-Y76 WeakPolarHBondContact CB-OH 3.45Å; L71-Y76 HydrophobicContact CD2-CE1 4.22Å; L71-Y76 HydrophobicContact CD2-CE2 4.19Å; L71-Y76 HydrophobicContact CG-CE2 4.29Å; L71-Y76 WeakPolarHBondContact O-CE2 3.27Å; K73-Y76 PolarHBondContact O-N 3.03Å; H74-Y76 PolarHBondContact O-N 3.11Å; Y76-F82 HydrophobicContact CD1-CZ 4.27Å; Y76-E103 HydrophobicContact CE1-CB 3.95Å; Y76-E103 PolarHBondContact OH-OE2 2.7Å; Y76-I104 HydrophobicContact CD1-CG1 3.93Å; Y76-I104 HydrophobicContact CE1-CG1 3.81Å; Y76-R108 PolarHBondContact O-NE 2.87Å; Y76-R108 PolarHBondContact O-NH2 2.99Å
77S86.9Confident91.7Very high95 Ų9546.2 Ų46.266%0.66426%0.261SS*.Hα-helixtrans-82.8-32.5178.3-53.70000113.5H74 Y75 R108H74-S77 PolarHBondContact O-N 3.35Å; H74-S77 VanDerWaalsContact O-N 3.11Å; Y75-S77 PolarHBondContact O-N 2.72Å; S77-R108 VanDerWaalsContact C-NH2 3.31Å; S77-R108 PolarHBondContact O-NH2 2.99Å
78V86.6Confident92.5Very high51 Ų5139.7 Ų39.731%0.30923%0.227SC..Hα-helixtrans-95.3-20.1-174-57.40000114.6K6 H74 Y75K6-V78 HydrophobicContact CD-CB 4.44Å; K6-V78 WeakPolarHBondContact CD-O 3.43Å; H74-V78 WeakPolarHBondContact O-CG1 3.43Å; H74-V78 WeakPolarHBondContact O-CG2 3.48Å; H74-V78 PolarHBondContact O-N 3.08Å; Y75-V78 PolarHBondContact O-N 3.03Å
79A92.6Very high93.6Very high0 Ų038 Ų380%020%0.201CC..  trans-70.2135-175.200000112.9V8 Y75 F82 R108V8-A79 HydrophobicContact CB-CB 4.42Å; V8-A79 HydrophobicContact CG2-CB 3.8Å; Y75-A79 VanDerWaalsContact O-CB 3.26Å; Y75-A79 WeakPolarHBondContact O-CB 3.45Å; Y75-A79 PolarHBondContact O-N 3.11Å; A79-F82 HydrophobicContact CB-CD2 4.21Å; A79-F82 HydrophobicContact CB-CE1 4.06Å; A79-F82 HydrophobicContact CB-CE2 3.53Å; A79-F82 HydrophobicContact CB-CZ 3.42Å; A79-F82 VanDerWaalsContact CB-CZ 3.42Å; A79-R108 PolarHBondContact O-NH1 3.09Å; A79-R108 PolarHBondContact O-NH2 3.15Å
80D92.6Very high94.2Very high72 Ų7236 Ų3639%0.38519%0.193SC..SBendtrans-87.5-28163.3-59.8-57.3000110.6C5 K6 L168C5-D80 WeakPolarHBondContact CA-OD2 3.35Å; C5-D80 HydrophobicContact CB-CB 4.28Å; K6-D80 PolarHBondContact N-OD2 3.07Å; K6-D80 WeakPolarHBondContact O-CA 3.41Å; K6-D80 WeakPolarHBondContact O-CB 3.5Å; K6-D80 PolarHBondContact O-N 3.48Å; D80-L168 HydrophobicContact CB-CD2 4.23Å; D80-L168 WeakPolarHBondContact O-CD2 3.49Å
81G95Very high94.6Very high0 Ų033.8 Ų33.80%018%0.181CC..EExtended strand (participates in β ladder)trans-152.6167.7173.600000113.8K6 V7 V8 M114K6-G81 PolarHBondContact O-N 3.34Å; V7-G81 VanDerWaalsContact CA-O 3.3Å; V7-G81 WeakPolarHBondContact CA-O 3.36Å; V8-G81 PolarHBondContact N-O 3.32Å; G81-M114 CarbonylContact C-O 3.57Å; G81-M114 WeakPolarHBondContact CA-O 3.24Å
82F97.3Very high94.8Very high0 Ų038.7 Ų38.70%020%0.204CC..EExtended strand (participates in β ladder)trans-126.9143.6177.3-71.8-88.5000112.1V8 L71 Y76 A79 L84 I104 V113 M114 V115 I116V8-F82 HydrophobicContact CB-CD1 3.73Å; V8-F82 HydrophobicContact CB-CE1 3.66Å; V8-F82 HydrophobicContact CG1-CD1 4.09Å; V8-F82 HydrophobicContact CG1-CE1 3.92Å; V8-F82 HydrophobicContact CG2-CE1 4.25Å; V8-F82 WeakPolarHBondContact O-CA 3.3Å; L71-F82 HydrophobicContact CD2-CE1 4.09Å; Y76-F82 HydrophobicContact CD1-CZ 4.27Å; A79-F82 HydrophobicContact CB-CD2 4.21Å; A79-F82 HydrophobicContact CB-CE1 4.06Å; A79-F82 HydrophobicContact CB-CE2 3.53Å; A79-F82 HydrophobicContact CB-CZ 3.42Å; A79-F82 VanDerWaalsContact CB-CZ 3.42Å; F82-L84 HydrophobicContact CB-CD2 4.39Å; F82-I104 HydrophobicContact CB-CD1 3.95Å; F82-I104 HydrophobicContact CD1-CD1 3.8Å; F82-I104 HydrophobicContact CD1-CG1 4.4Å; F82-I104 HydrophobicContact CD2-CD1 3.76Å; F82-I104 HydrophobicContact CD2-CG1 4.1Å; F82-I104 HydrophobicContact CD2-CG2 4.05Å; F82-I104 HydrophobicContact CE1-CD1 4.24Å; F82-I104 HydrophobicContact CE1-CG1 4.36Å; F82-I104 HydrophobicContact CE2-CD1 4.22Å; F82-I104 HydrophobicContact CE2-CG1 4.06Å; F82-I104 HydrophobicContact CE2-CG2 4.09Å; F82-I104 HydrophobicContact CG-CD1 3.55Å; F82-I104 HydrophobicContact CG-CG1 4.29Å; F82-I104 HydrophobicContact CZ-CD1 4.44Å; F82-I104 HydrophobicContact CZ-CG1 4.21Å; F82-V113 HydrophobicContact CD2-CG1 3.54Å; F82-V113 HydrophobicContact CE2-CG1 3.83Å; F82-M114 PolarHBondContact N-O 2.82Å; F82-V115 HydrophobicContact CB-CG1 4.3Å; F82-V115 HydrophobicContact CB-CG2 4.28Å; F82-V115 HydrophobicContact CD2-CG2 4.48Å; F82-V115 WeakPolarHBondContact O-CA 3.47Å; F82-I116 PolarHBondContact O-N 2.83Å
83V98.5Very high95.1Very high0 Ų036.1 Ų36.10%019%0.188CC..EExtended strand (participates in β ladder)trans-114.4110.1163.6-1760000107.3V7 V8 V9 C10 V85 I116 L118 F161 L164V7-V83 HydrophobicContact CG1-CG2 3.64Å; V8-V83 PolarHBondContact O-N 2.98Å; V9-V83 WeakPolarHBondContact CA-O 3.28Å; V9-V83 HydrophobicContact CG1-CB 4.29Å; V9-V83 HydrophobicContact CG1-CG1 4.42Å; V9-V83 HydrophobicContact CG2-CB 4.21Å; V9-V83 HydrophobicContact CG2-CG2 4.44Å; C10-V83 PolarHBondContact N-O 3.27Å; V83-V85 HydrophobicContact CG1-CG2 3.99Å; V83-I116 HydrophobicContact CB-CG1 4.22Å; V83-I116 HydrophobicContact CG1-CD1 4.25Å; V83-I116 HydrophobicContact CG1-CG1 4.15Å; V83-I116 HydrophobicContact CG2-CD1 3.91Å; V83-I116 HydrophobicContact CG2-CG1 3.79Å; V83-L118 HydrophobicContact CG1-CD1 3.54Å; V83-L118 HydrophobicContact CG1-CG 3.8Å; V83-F161 HydrophobicContact CG2-CE1 4.39Å; V83-L164 HydrophobicContact CG2-CD2 3.73Å
84L98.5Very high95.4Very high0 Ų028.5 Ų28.50%015%0.154CC..EExtended strand (participates in β ladder)trans-90.3125174.3-54.3-174.1000108.9C10 F82 V97 L100 K101 I104 V115 I116 V117 L118C10-L84 WeakPolarHBondContact O-CA 3.49Å; C10-L84 WeakPolarHBondContact SG-CD2 3.35Å; F82-L84 HydrophobicContact CB-CD2 4.39Å; L84-V97 HydrophobicContact CB-CG1 3.93Å; L84-V97 HydrophobicContact CB-CG2 4.1Å; L84-V97 HydrophobicContact CD1-CG1 3.98Å; L84-L100 HydrophobicContact CD1-CB 4.36Å; L84-L100 HydrophobicContact CD2-CB 4.11Å; L84-L100 HydrophobicContact CD2-CD1 4.41Å; L84-K101 HydrophobicContact CD1-CB 4Å; L84-I104 HydrophobicContact CD1-CD1 4.37Å; L84-I104 HydrophobicContact CD2-CD1 3.8Å; L84-I104 HydrophobicContact CG-CD1 4.49Å; L84-V115 HydrophobicContact CD1-CG1 3.89Å; L84-V115 HydrophobicContact CG-CG1 3.93Å; L84-I116 PolarHBondContact N-O 3.48Å; L84-V117 HydrophobicContact CB-CG2 4.24Å; L84-V117 HydrophobicContact CD1-CG2 4.47Å; L84-V117 CarbonylContact O-C 3.43Å; L84-V117 VanDerWaalsContact O-CA 3.3Å; L84-V117 WeakPolarHBondContact O-CA 3.47Å; L84-L118 PolarHBondContact O-N 3.48Å
85V98.7Very high95.8Very high0 Ų030.3 Ų30.30%016%0.161CC..EExtended strand (participates in β ladder)trans-115.9126.8-176.3-169.80000109.8V9 C10 G11 V15 K17 I20 V83 L118 N120V9-V85 HydrophobicContact CG1-CG2 3.84Å; C10-V85 PolarHBondContact O-N 3.49Å; G11-V85 WeakPolarHBondContact CA-O 3.48Å; V15-V85 HydrophobicContact CB-CG1 4.14Å; V15-V85 HydrophobicContact CG2-CB 3.85Å; V15-V85 HydrophobicContact CG2-CG1 3.66Å; K17-V85 HydrophobicContact CG-CB 4.08Å; K17-V85 HydrophobicContact CG-CG2 4.11Å; I20-V85 HydrophobicContact CD1-CG1 3.68Å; I20-V85 HydrophobicContact CD1-CG2 4.31Å; V83-V85 HydrophobicContact CG1-CG2 3.99Å; V85-L118 WeakPolarHBondContact CA-O 3.25Å; V85-L118 HydrophobicContact CG2-CB 4.49Å; V85-N120 HydrophobicContact CG1-CB 4.29Å
86Y98.7Very high96Very high0 Ų031.2 Ų31.20%016%0.164CC..EExtended strand (participates in β ladder)trans-122.2170.2164.775.6-82.3000109.7V88 S93 F94 V97 V117 L118 N120 V130 A135 L146Y86-V88 HydrophobicContact CE2-CG1 4.33Å; Y86-S93 WeakPolarHBondContact CB-OG 3.25Å; Y86-F94 AromaticContact CD1-CD2 3.86Å; Y86-F94 HydrophobicContact CD1-CD2 3.86Å; Y86-F94 HydrophobicContact CD2-CB 3.85Å; Y86-F94 AromaticContact CD2-CD2 3.86Å; Y86-F94 HydrophobicContact CD2-CD2 3.86Å; Y86-F94 HydrophobicContact CD2-CG 4.3Å; Y86-F94 AromaticContact CE1-CD2 3.83Å; Y86-F94 HydrophobicContact CE1-CD2 3.83Å; Y86-F94 HydrophobicContact CE1-CE2 4.19Å; Y86-F94 HydrophobicContact CE2-CB 4.39Å; Y86-F94 AromaticContact CE2-CD2 3.84Å; Y86-F94 HydrophobicContact CE2-CD2 3.84Å; Y86-F94 HydrophobicContact CE2-CG 4.46Å; Y86-F94 HydrophobicContact CG-CB 4.15Å; Y86-F94 AromaticContact CG-CD2 3.87Å; Y86-F94 HydrophobicContact CG-CD2 3.87Å; Y86-F94 AromaticContact CZ-CD2 3.82Å; Y86-V97 HydrophobicContact CD1-CG2 4.41Å; Y86-V117 HydrophobicContact CD1-CG1 3.88Å; Y86-V117 HydrophobicContact CE1-CG1 3.89Å; Y86-L118 WeakPolarHBondContact CD1-O 3.41Å; Y86-L118 PolarHBondContact N-O 2.75Å; Y86-N120 PolarHBondContact O-N 3.35Å; Y86-V130 HydrophobicContact CD2-CG2 4.33Å; Y86-V130 HydrophobicContact CE2-CB 4.1Å; Y86-V130 HydrophobicContact CE2-CG1 3.86Å; Y86-V130 HydrophobicContact CE2-CG2 4.2Å; Y86-A135 WeakPolarHBondContact OH-CB 3.36Å; Y86-L146 HydrophobicContact CE1-CD1 3.87Å; Y86-L146 HydrophobicContact CE1-CG 4.37Å
87S98.3Very high96.3Very high2 Ų230.2 Ų30.21%0.01416%0.16CC..EExtended strand (participates in β ladder)trans-113.6134176.1-161.80000109.6D89 S90 S93 K121S87-D89 WeakPolarHBondContact CB-OD1 3.28Å; S87-D89 PolarHBondContact O-N 2.94Å; S87-D89 VanDerWaalsContact O-N 3.15Å; S87-D89 PolarHBondContact OG-OD1 3.22Å; S87-S90 PolarHBondContact O-N 3.37Å; S87-S93 PolarHBondContact N-OG 2.77Å; S87-S93 PolarHBondContact O-OG 2.77Å; S87-K121 WeakPolarHBondContact OG-CD 3.29Å; S87-K121 WeakPolarHBondContact OG-CE 3.32Å; S87-K121 WeakPolarHBondContact OG-CG 3.5Å; S87-K121 PolarHBondContact OG-NZ 3.38Å
88V98.4Very high96.7Very high0 Ų027.3 Ų27.30%014%0.138CC..THydrogen-bonded Turntrans-63.6-21.8-177.1-60.40000112.9Y86 S90 N120 K121 T122 Q129 V130Y86-V88 HydrophobicContact CE2-CG1 4.33Å; V88-S90 VanDerWaalsContact C-N 3.34Å; V88-N120 WeakPolarHBondContact CG1-O 3.36Å; V88-N120 PolarHBondContact N-O 2.82Å; V88-K121 WeakPolarHBondContact CG2-O 3.27Å; V88-T122 HydrophobicContact CG1-CG2 4.25Å; V88-Q129 PolarHBondContact O-N 3.16Å; V88-V130 PolarHBondContact O-N 3.34Å; V88-V130 VanDerWaalsContact O-N 3.09Å
89D98.1Very high97.2Very high32 Ų3228 Ų2817%0.17114%0.141CC..THydrogen-bonded Turntrans-88.17.8176.272.1-27.4000113.9S87 L124 R127 Q129S87-D89 WeakPolarHBondContact CB-OD1 3.28Å; S87-D89 PolarHBondContact O-N 2.94Å; S87-D89 VanDerWaalsContact O-N 3.15Å; S87-D89 PolarHBondContact OG-OD1 3.22Å; D89-L124 HydrophobicContact CB-CD1 4.37Å; D89-L124 WeakPolarHBondContact OD2-CD1 3.27Å; D89-R127 VanDerWaalsContact CA-O 3.27Å; D89-R127 WeakPolarHBondContact CA-O 3.42Å; D89-R127 HydrophobicContact CB-CB 3.91Å; D89-R127 WeakPolarHBondContact CB-O 3.29Å; D89-Q129 WeakPolarHBondContact O-CG 3.33Å; D89-Q129 PolarHBondContact O-NE2 3.03Å; D89-Q129 VanDerWaalsContact O-NE2 3.1Å; D89-Q129 PolarHBondContact O-OE1 3.17Å
90S97.9Very high97.4Very high31 Ų3128 Ų2822%0.21714%0.141CC..  trans-139.7101.5179.4174.40000111.6S87 V88 E92 S93 F94S87-S90 PolarHBondContact O-N 3.37Å; V88-S90 VanDerWaalsContact C-N 3.34Å; S90-E92 PolarHBondContact O-N 3.17Å; S90-S93 WeakPolarHBondContact CB-OG 3.35Å; S90-S93 PolarHBondContact O-N 3.12Å; S90-S93 PolarHBondContact O-OG 2.89Å; S90-S93 PolarHBondContact OG-N 3Å; S90-F94 PolarHBondContact O-N 2.97Å
91L97.9Very high97.5Very high70 Ų7025.1 Ų25.137%0.36613%0.126SC..Hα-helixtrans-61-33.4174.4177.260.9000112.3S93 F94 K95 Q129 V130L91-S93 VanDerWaalsContact C-N 3.34Å; L91-S93 PolarHBondContact O-N 3.37Å; L91-F94 PolarHBondContact O-N 3.17Å; L91-K95 WeakPolarHBondContact O-CG 3.42Å; L91-K95 PolarHBondContact O-N 3.18Å; L91-Q129 HydrophobicContact CB-CB 4.15Å; L91-Q129 VanDerWaalsContact N-OE1 3.12Å; L91-V130 HydrophobicContact CD1-CG2 4.36Å
92E97.3Very high97.4Very high105 Ų10529.5 Ų29.549%0.49115%0.145SC..Hα-helixtrans-60.8-42.8176-167.7-173.2156.300111.7L12 S90 F94 K95 R96L12-E92 HydrophobicContact CD1-CB 4.34Å; L12-E92 HydrophobicContact CD1-CG 3.95Å; S90-E92 PolarHBondContact O-N 3.17Å; E92-F94 VanDerWaalsContact C-N 3.29Å; E92-F94 PolarHBondContact O-N 2.81Å; E92-K95 WeakPolarHBondContact O-CB 3.44Å; E92-K95 PolarHBondContact O-N 3.15Å; E92-R96 PolarHBondContact O-N 3.44Å
93S98.2Very high97.2Very high0 Ų031.1 Ų31.10%015%0.152CC..Hα-helixtrans-63.2-35.9176.975.10000112.9L12 Y86 S87 S90 L91 R96 V97L12-S93 VanDerWaalsContact CD1-CA 3.46Å; Y86-S93 WeakPolarHBondContact CB-OG 3.25Å; S87-S93 PolarHBondContact N-OG 2.77Å; S87-S93 PolarHBondContact O-OG 2.77Å; S90-S93 WeakPolarHBondContact CB-OG 3.35Å; S90-S93 PolarHBondContact O-N 3.12Å; S90-S93 PolarHBondContact O-OG 2.89Å; S90-S93 PolarHBondContact OG-N 3Å; L91-S93 VanDerWaalsContact C-N 3.34Å; L91-S93 PolarHBondContact O-N 3.37Å; S93-R96 PolarHBondContact O-N 2.91Å; S93-V97 PolarHBondContact O-N 3.18Å; S93-V97 VanDerWaalsContact O-N 3.17Å
94F98.4Very high97Very high23 Ų2331.4 Ų31.410%0.10115%0.154CC..Hα-helixtrans-69.1-42174.9-177.4-106.3000112Y86 S90 L91 E92 R96 V97 D98 V130 A135 W138 L146Y86-F94 AromaticContact CD1-CD2 3.86Å; Y86-F94 HydrophobicContact CD1-CD2 3.86Å; Y86-F94 HydrophobicContact CD2-CB 3.85Å; Y86-F94 AromaticContact CD2-CD2 3.86Å; Y86-F94 HydrophobicContact CD2-CD2 3.86Å; Y86-F94 HydrophobicContact CD2-CG 4.3Å; Y86-F94 AromaticContact CE1-CD2 3.83Å; Y86-F94 HydrophobicContact CE1-CD2 3.83Å; Y86-F94 HydrophobicContact CE1-CE2 4.19Å; Y86-F94 HydrophobicContact CE2-CB 4.39Å; Y86-F94 AromaticContact CE2-CD2 3.84Å; Y86-F94 HydrophobicContact CE2-CD2 3.84Å; Y86-F94 HydrophobicContact CE2-CG 4.46Å; Y86-F94 HydrophobicContact CG-CB 4.15Å; Y86-F94 AromaticContact CG-CD2 3.87Å; Y86-F94 HydrophobicContact CG-CD2 3.87Å; Y86-F94 AromaticContact CZ-CD2 3.82Å; S90-F94 PolarHBondContact O-N 2.97Å; L91-F94 PolarHBondContact O-N 3.17Å; E92-F94 VanDerWaalsContact C-N 3.29Å; E92-F94 PolarHBondContact O-N 2.81Å; F94-R96 PolarHBondContact O-N 3.1Å; F94-V97 WeakPolarHBondContact O-CB 3.45Å; F94-V97 PolarHBondContact O-N 3.33Å; F94-V97 VanDerWaalsContact O-N 3.12Å; F94-D98 PolarHBondContact O-N 3.47Å; F94-V130 HydrophobicContact CB-CG1 4.31Å; F94-V130 HydrophobicContact CB-CG2 3.75Å; F94-V130 HydrophobicContact CD1-CG1 4.22Å; F94-V130 HydrophobicContact CD2-CG1 4.15Å; F94-V130 HydrophobicContact CG-CG1 3.95Å; F94-V130 HydrophobicContact CG-CG2 4.3Å; F94-A135 HydrophobicContact CE2-CB 3.88Å; F94-A135 HydrophobicContact CZ-CB 4.08Å; F94-W138 HydrophobicContact CE1-CG 4.44Å; F94-W138 HydrophobicContact CE2-CD2 4.24Å; F94-W138 AromaticContact CE2-CE3 3.85Å; F94-W138 HydrophobicContact CE2-CE3 3.85Å; F94-W138 HydrophobicContact CE2-CZ3 4.33Å; F94-W138 HydrophobicContact CZ-CB 3.92Å; F94-W138 AromaticContact CZ-CD2 3.74Å; F94-W138 HydrophobicContact CZ-CD2 3.74Å; F94-W138 AromaticContact CZ-CE3 3.78Å; F94-W138 HydrophobicContact CZ-CE3 3.78Å; F94-W138 AromaticContact CZ-CG 3.79Å; F94-W138 HydrophobicContact CZ-CG 3.79Å; F94-L146 HydrophobicContact CE2-CD1 4.45Å
95K97.3Very high96.6Very high129 Ų12935.6 Ų35.656%0.56118%0.176SC*.Hα-helixtrans-58.4-38.8172.2-71.2176179.3176.70111.5L91 E92 V97 D98 V99L91-K95 WeakPolarHBondContact O-CG 3.42Å; L91-K95 PolarHBondContact O-N 3.18Å; E92-K95 WeakPolarHBondContact O-CB 3.44Å; E92-K95 PolarHBondContact O-N 3.15Å; K95-V97 VanDerWaalsContact C-N 3.33Å; K95-V97 PolarHBondContact O-N 3.28Å; K95-D98 WeakPolarHBondContact O-CB 3.26Å; K95-D98 PolarHBondContact O-N 2.99Å; K95-V99 PolarHBondContact O-N 3.44Å
96R96.9Very high96.2Very high24 Ų2443.9 Ų43.99%0.09121%0.212CC..Hα-helixtrans-64.8-37.1176.7-173.259.6179.4134.3-7.6112.4L12 L69 D70 E92 S93 F94 D98 V99 L100 E103L12-R96 HydrophobicContact CD1-CB 4.24Å; L12-R96 HydrophobicContact CD2-CB 4.22Å; L12-R96 HydrophobicContact CD2-CG 3.96Å; L12-R96 HydrophobicContact CG-CB 3.81Å; L12-R96 HydrophobicContact CG-CG 3.97Å; L69-R96 PolarHBondContact O-NH2 3.27Å; D70-R96 IonicContact OD1-NH2 3.48Å; E92-R96 PolarHBondContact O-N 3.44Å; S93-R96 PolarHBondContact O-N 2.91Å; F94-R96 PolarHBondContact O-N 3.1Å; R96-D98 VanDerWaalsContact C-N 3.31Å; R96-D98 PolarHBondContact O-N 2.78Å; R96-V99 PolarHBondContact O-N 2.96Å; R96-L100 HydrophobicContact CG-CD1 4.12Å; R96-L100 HydrophobicContact CG-CG 4.35Å; R96-L100 WeakPolarHBondContact O-CG 3.46Å; R96-L100 PolarHBondContact O-N 3.25Å; R96-E103 IonicContact CZ-OE1 2.75Å; R96-E103 IonicContact NH1-OE1 3.55Å; R96-E103 PolarHBondContact NH1-OE1 2.93Å; R96-E103 IonicContact NH1-OE2 2.63Å; R96-E103 IonicContact NH2-OE1 3.62Å; R96-E103 IonicContact NH2-OE2 3.81Å
97V97.6Very high95.4Very high0 Ų046.2 Ų46.20%023%0.229CC..Hα-helixtrans-59.7-40.2174.5164.10000111.9L84 Y86 S93 F94 K95 V99 L100 K101 V117 W138L84-V97 HydrophobicContact CB-CG1 3.93Å; L84-V97 HydrophobicContact CB-CG2 4.1Å; L84-V97 HydrophobicContact CD1-CG1 3.98Å; Y86-V97 HydrophobicContact CD1-CG2 4.41Å; S93-V97 PolarHBondContact O-N 3.18Å; S93-V97 VanDerWaalsContact O-N 3.17Å; F94-V97 WeakPolarHBondContact O-CB 3.45Å; F94-V97 PolarHBondContact O-N 3.33Å; F94-V97 VanDerWaalsContact O-N 3.12Å; K95-V97 VanDerWaalsContact C-N 3.33Å; K95-V97 PolarHBondContact O-N 3.28Å; V97-V99 PolarHBondContact O-N 3.35Å; V97-L100 PolarHBondContact O-N 3.06Å; V97-K101 WeakPolarHBondContact O-CB 3.37Å; V97-K101 PolarHBondContact O-N 2.83Å; V97-V117 HydrophobicContact CG1-CG1 3.83Å; V97-V117 HydrophobicContact CG1-CG2 4.36Å; V97-W138 HydrophobicContact CG1-CH2 3.56Å; V97-W138 HydrophobicContact CG1-CZ2 4.22Å; V97-W138 HydrophobicContact CG1-CZ3 4.12Å
98D96.9Very high94.1Very high35 Ų3549.5 Ų49.519%0.18724%0.241CC..Hα-helixtrans-60.6-44174.3176.767.4000112.4F94 K95 R96 K101 K102 W138F94-D98 PolarHBondContact O-N 3.47Å; K95-D98 WeakPolarHBondContact O-CB 3.26Å; K95-D98 PolarHBondContact O-N 2.99Å; R96-D98 VanDerWaalsContact C-N 3.31Å; R96-D98 PolarHBondContact O-N 2.78Å; D98-K101 PolarHBondContact O-N 3.29Å; D98-K102 VanDerWaalsContact CG-NZ 3.33Å; D98-K102 WeakPolarHBondContact O-CG 3.49Å; D98-K102 PolarHBondContact O-N 3.13Å; D98-K102 WeakPolarHBondContact OD1-CE 3.17Å; D98-K102 IonicContact OD1-NZ 3.25Å; D98-K102 PolarHBondContact OD1-NZ 3.07Å; D98-K102 WeakPolarHBondContact OD2-CE 3.4Å; D98-K102 IonicContact OD2-NZ 2.67Å; D98-K102 PolarHBondContact OD2-NZ 3.26Å; D98-W138 HydrophobicContact CB-CZ2 4.22Å; D98-W138 PolarHBondContact OD1-NE1 3.17Å
99V96.1Very high92.3Very high64 Ų6457.1 Ų57.139%0.38828%0.281SS..Hα-helixtrans-65.8-46.3176.8-171.80000111.2K95 R96 V97 K101 K102 E103K95-V99 PolarHBondContact O-N 3.44Å; R96-V99 PolarHBondContact O-N 2.96Å; V97-V99 PolarHBondContact O-N 3.35Å; V99-K101 VanDerWaalsContact C-N 3.3Å; V99-K101 PolarHBondContact O-N 3.5Å; V99-K102 PolarHBondContact O-N 2.84Å; V99-K102 VanDerWaalsContact O-N 3.15Å; V99-E103 HydrophobicContact CG1-CG 4.43Å; V99-E103 VanDerWaalsContact CG1-OE1 3.31Å; V99-E103 WeakPolarHBondContact CG1-OE1 3.3Å; V99-E103 WeakPolarHBondContact O-CG 3.11Å; V99-E103 PolarHBondContact O-N 2.65Å
100L95.9Very high90Very high0 Ų065.1 Ų65.10%032%0.315CS..Hα-helixtrans-58.3-41.6178-75.7167.6000111.8L65 L71 L84 R96 V97 K102 E103 I104L65-L100 HydrophobicContact CD1-CD1 4.21Å; L65-L100 HydrophobicContact CD1-CD2 3.81Å; L65-L100 HydrophobicContact CD1-CG 4.45Å; L71-L100 HydrophobicContact CB-CD2 4.18Å; L84-L100 HydrophobicContact CD1-CB 4.36Å; L84-L100 HydrophobicContact CD2-CB 4.11Å; L84-L100 HydrophobicContact CD2-CD1 4.41Å; R96-L100 HydrophobicContact CG-CD1 4.12Å; R96-L100 HydrophobicContact CG-CG 4.35Å; R96-L100 WeakPolarHBondContact O-CG 3.46Å; R96-L100 PolarHBondContact O-N 3.25Å; V97-L100 PolarHBondContact O-N 3.06Å; L100-K102 PolarHBondContact O-N 3.06Å; L100-E103 PolarHBondContact O-N 3.46Å; L100-I104 VanDerWaalsContact O-CG1 3.28Å; L100-I104 WeakPolarHBondContact O-CG1 3.09Å; L100-I104 PolarHBondContact O-N 2.86Å
101K95.5Very high88.4Confident13 Ų1371.8 Ų71.86%0.05734%0.34CS..Hα-helixtrans-59.9-46.2176.6178.855.5172.769.50111.5L84 V97 D98 V99 E103 I104 D105 V115 W138 E142 V144L84-K101 HydrophobicContact CD1-CB 4Å; V97-K101 WeakPolarHBondContact O-CB 3.37Å; V97-K101 PolarHBondContact O-N 2.83Å; D98-K101 PolarHBondContact O-N 3.29Å; V99-K101 VanDerWaalsContact C-N 3.3Å; V99-K101 PolarHBondContact O-N 3.5Å; K101-E103 VanDerWaalsContact C-N 3.34Å; K101-E103 PolarHBondContact O-N 2.91Å; K101-I104 PolarHBondContact O-N 2.98Å; K101-D105 IonicContact NZ-OD1 3.82Å; K101-D105 PolarHBondContact NZ-OD1 2.83Å; K101-D105 IonicContact NZ-OD2 3.98Å; K101-D105 PolarHBondContact NZ-OD2 2.86Å; K101-D105 PolarHBondContact O-N 2.89Å; K101-V115 HydrophobicContact CD-CG1 4.26Å; K101-W138 HydrophobicContact CB-CZ2 4.31Å; K101-E142 HydrophobicContact CG-CB 4.46Å; K101-E142 HydrophobicContact CG-CG 4.46Å; K101-E142 IonicContact NZ-OE2 2.84Å; K101-V144 HydrophobicContact CD-CG1 4.05Å
102K94Very high87Confident92 Ų9278.1 Ų78.140%0.437%0.367SS..Hα-helixtrans-64.3-37.7177.2-70.1167-178.7164.90112.5D98 V99 L100 K106D98-K102 VanDerWaalsContact CG-NZ 3.33Å; D98-K102 WeakPolarHBondContact O-CG 3.49Å; D98-K102 PolarHBondContact O-N 3.13Å; D98-K102 WeakPolarHBondContact OD1-CE 3.17Å; D98-K102 IonicContact OD1-NZ 3.25Å; D98-K102 PolarHBondContact OD1-NZ 3.07Å; D98-K102 WeakPolarHBondContact OD2-CE 3.4Å; D98-K102 IonicContact OD2-NZ 2.67Å; D98-K102 PolarHBondContact OD2-NZ 3.26Å; V99-K102 PolarHBondContact O-N 2.84Å; V99-K102 VanDerWaalsContact O-N 3.15Å; L100-K102 PolarHBondContact O-N 3.06Å; K102-K106 VanDerWaalsContact O-CG 3.25Å; K102-K106 WeakPolarHBondContact O-CG 3.35Å; K102-K106 PolarHBondContact O-N 3.16Å; K102-K106 VanDerWaalsContact O-N 3.1Å
103E92.9Very high86.4Confident34 Ų3474.2 Ų74.216%0.15935%0.351CS..Hα-helixtrans-64.2-44174.4-70164.5-169.600111.4Y76 R96 V99 L100 K101 D105 K106 S107Y76-E103 HydrophobicContact CE1-CB 3.95Å; Y76-E103 PolarHBondContact OH-OE2 2.7Å; R96-E103 IonicContact CZ-OE1 2.75Å; R96-E103 IonicContact NH1-OE1 3.55Å; R96-E103 PolarHBondContact NH1-OE1 2.93Å; R96-E103 IonicContact NH1-OE2 2.63Å; R96-E103 IonicContact NH2-OE1 3.62Å; R96-E103 IonicContact NH2-OE2 3.81Å; V99-E103 HydrophobicContact CG1-CG 4.43Å; V99-E103 VanDerWaalsContact CG1-OE1 3.31Å; V99-E103 WeakPolarHBondContact CG1-OE1 3.3Å; V99-E103 WeakPolarHBondContact O-CG 3.11Å; V99-E103 PolarHBondContact O-N 2.65Å; L100-E103 PolarHBondContact O-N 3.46Å; K101-E103 VanDerWaalsContact C-N 3.34Å; K101-E103 PolarHBondContact O-N 2.91Å; E103-D105 PolarHBondContact O-N 3.38Å; E103-K106 PolarHBondContact O-N 3.1Å; E103-S107 WeakPolarHBondContact O-CB 3.47Å; E103-S107 PolarHBondContact O-N 3.3Å
104I93.1Very high86.1Confident6 Ų676.2 Ų76.23%0.03136%0.361CS..Hα-helixtrans-59.1-47.5176-70.7163.7000110.4Y76 F82 L84 L100 K101 K106 S107 V115Y76-I104 HydrophobicContact CD1-CG1 3.93Å; Y76-I104 HydrophobicContact CE1-CG1 3.81Å; F82-I104 HydrophobicContact CB-CD1 3.95Å; F82-I104 HydrophobicContact CD1-CD1 3.8Å; F82-I104 HydrophobicContact CD1-CG1 4.4Å; F82-I104 HydrophobicContact CD2-CD1 3.76Å; F82-I104 HydrophobicContact CD2-CG1 4.1Å; F82-I104 HydrophobicContact CD2-CG2 4.05Å; F82-I104 HydrophobicContact CE1-CD1 4.24Å; F82-I104 HydrophobicContact CE1-CG1 4.36Å; F82-I104 HydrophobicContact CE2-CD1 4.22Å; F82-I104 HydrophobicContact CE2-CG1 4.06Å; F82-I104 HydrophobicContact CE2-CG2 4.09Å; F82-I104 HydrophobicContact CG-CD1 3.55Å; F82-I104 HydrophobicContact CG-CG1 4.29Å; F82-I104 HydrophobicContact CZ-CD1 4.44Å; F82-I104 HydrophobicContact CZ-CG1 4.21Å; L84-I104 HydrophobicContact CD1-CD1 4.37Å; L84-I104 HydrophobicContact CD2-CD1 3.8Å; L84-I104 HydrophobicContact CG-CD1 4.49Å; L100-I104 VanDerWaalsContact O-CG1 3.28Å; L100-I104 WeakPolarHBondContact O-CG1 3.09Å; L100-I104 PolarHBondContact O-N 2.86Å; K101-I104 PolarHBondContact O-N 2.98Å; I104-K106 VanDerWaalsContact C-N 3.33Å; I104-K106 PolarHBondContact O-N 3.38Å; I104-S107 PolarHBondContact O-N 3.33Å; I104-S107 VanDerWaalsContact O-N 3.13Å; I104-S107 PolarHBondContact O-OG 3Å; I104-V115 HydrophobicContact CG2-CG2 4.06Å
105D91.1Very high86Confident87 Ų8775.6 Ų75.647%0.46536%0.359SS..Hα-helixtrans-62.8-38.9-179.8-69.1-15.7000112.6K101 E103 S107K101-D105 IonicContact NZ-OD1 3.82Å; K101-D105 PolarHBondContact NZ-OD1 2.83Å; K101-D105 IonicContact NZ-OD2 3.98Å; K101-D105 PolarHBondContact NZ-OD2 2.86Å; K101-D105 PolarHBondContact O-N 2.89Å; E103-D105 PolarHBondContact O-N 3.38Å; D105-S107 VanDerWaalsContact C-N 3.28Å; D105-S107 PolarHBondContact O-N 2.81Å
106K89.6Confident86.1Confident174 Ų17469.4 Ų69.476%0.75733%0.332SS*.Hα-helixtrans-69.7-26.3176.5-73.1172.4-176.6178.80113.1K102 E103 I104 R108K102-K106 VanDerWaalsContact O-CG 3.25Å; K102-K106 WeakPolarHBondContact O-CG 3.35Å; K102-K106 PolarHBondContact O-N 3.16Å; K102-K106 VanDerWaalsContact O-N 3.1Å; E103-K106 PolarHBondContact O-N 3.1Å; I104-K106 VanDerWaalsContact C-N 3.33Å; I104-K106 PolarHBondContact O-N 3.38Å; K106-R108 VanDerWaalsContact C-N 3.31Å; K106-R108 PolarHBondContact O-N 3.15Å
107S82.7Confident86.1Confident50 Ų5068.3 Ų68.335%0.3533%0.328SS..THydrogen-bonded Turntrans-76.8-10.9-169.9730000114.7E103 I104 D105E103-S107 WeakPolarHBondContact O-CB 3.47Å; E103-S107 PolarHBondContact O-N 3.3Å; I104-S107 PolarHBondContact O-N 3.33Å; I104-S107 VanDerWaalsContact O-N 3.13Å; I104-S107 PolarHBondContact O-OG 3Å; D105-S107 VanDerWaalsContact C-N 3.28Å; D105-S107 PolarHBondContact O-N 2.81Å
108R70.1Confident86.2Confident71 Ų7168.3 Ų68.327%0.26833%0.328SS..  trans-140.2125.4-172-74.4-171.5171.3-165.30.9115.2Y76 S77 A79 K106 V113Y76-R108 PolarHBondContact O-NE 2.87Å; Y76-R108 PolarHBondContact O-NH2 2.99Å; S77-R108 VanDerWaalsContact C-NH2 3.31Å; S77-R108 PolarHBondContact O-NH2 2.99Å; A79-R108 PolarHBondContact O-NH1 3.09Å; A79-R108 PolarHBondContact O-NH2 3.15Å; K106-R108 VanDerWaalsContact C-N 3.31Å; K106-R108 PolarHBondContact O-N 3.15Å; R108-V113 VanDerWaalsContact CD-CG2 3.42Å
109D60.7Low86.3Confident159 Ų15966.6 Ų66.685%0.8532%0.319SS*.SBendtrans-80.8-25.2-175.9-72.8-40.9000115.7
110K50.8Low86.4Confident201 Ų20163.7 Ų63.787%0.87430%0.301SS*.SBendtrans-1502.8-165.2-64.8-172-177.7175.60119.2
111K62.5Low86.4Confident170 Ų17066 Ų6674%0.73931%0.311SS*.  trans-128.8123.4173.3-78.6-172.3178.2-177.60110.3V113K111-V113 PolarHBondContact O-N 2.82Å
112E68.8Low86.4Confident203 Ų20366.6 Ų66.695%0.94932%0.316SS*.PPolyproline II helixtrans-58.4116.8169.1-169.8173.1-162.400108.3
113V85.9Confident86.4Confident24 Ų2465.6 Ų65.615%0.14532%0.315CS..PPolyproline II helixtrans-93.8132.8174.3177.90000107.9F82 R108 K111 V115F82-V113 HydrophobicContact CD2-CG1 3.54Å; F82-V113 HydrophobicContact CE2-CG1 3.83Å; R108-V113 VanDerWaalsContact CD-CG2 3.42Å; K111-V113 PolarHBondContact O-N 2.82Å; V113-V115 PolarHBondContact O-N 2.95Å
114M91.9Very high86.5Confident41 Ų4166.3 Ų66.320%0.20232%0.319CS..EExtended strand (participates in β ladder)trans-73.6121.5177.4-172.259.7-163.200109.8G81 F82 I116 M163 L164 R167 L168G81-M114 CarbonylContact C-O 3.57Å; G81-M114 WeakPolarHBondContact CA-O 3.24Å; F82-M114 PolarHBondContact N-O 2.82Å; M114-I116 HydrophobicContact CE-CG2 3.81Å; M114-M163 HydrophobicContact CE-CE 3.29Å; M114-M163 HydrophobicContact CE-SD 3.6Å; M114-M163 VanDerWaalsContact CE-SD 3.6Å; M114-L164 HydrophobicContact CB-CD1 4.06Å; M114-L164 HydrophobicContact CG-CD1 3.49Å; M114-L164 VanDerWaalsContact CG-CD1 3.49Å; M114-R167 HydrophobicContact CE-CB 4.46Å; M114-R167 HydrophobicContact CE-CG 4.15Å; M114-R167 HydrophobicContact CG-CB 4.09Å; M114-R167 HydrophobicContact SD-CB 4.01Å; M114-R167 HydrophobicContact SD-CG 4.13Å; M114-L168 HydrophobicContact CB-CD2 3.7Å; M114-L168 HydrophobicContact CB-CG 4.22Å
115V96.2Very high86.5Confident10 Ų1075.4 Ų75.46%0.06135%0.353CS..EExtended strand (participates in β ladder)trans-119.9129.2176.8-174.70000109.3F82 L84 K101 I104 V113 V144F82-V115 HydrophobicContact CB-CG1 4.3Å; F82-V115 HydrophobicContact CB-CG2 4.28Å; F82-V115 HydrophobicContact CD2-CG2 4.48Å; F82-V115 WeakPolarHBondContact O-CA 3.47Å; L84-V115 HydrophobicContact CD1-CG1 3.89Å; L84-V115 HydrophobicContact CG-CG1 3.93Å; K101-V115 HydrophobicContact CD-CG1 4.26Å; I104-V115 HydrophobicContact CG2-CG2 4.06Å; V113-V115 PolarHBondContact O-N 2.95Å; V115-V144 HydrophobicContact CB-CG1 4.09Å; V115-V144 HydrophobicContact CG1-CG1 4.19Å
116I98.1Very high86.7Confident0 Ų080.8 Ų80.80%038%0.376CS..EExtended strand (participates in β ladder)trans-119.6157.5166.464.8164.6000110.5F82 V83 L84 M114 L118 W147 P160 M163 L164F82-I116 PolarHBondContact O-N 2.83Å; V83-I116 HydrophobicContact CB-CG1 4.22Å; V83-I116 HydrophobicContact CG1-CD1 4.25Å; V83-I116 HydrophobicContact CG1-CG1 4.15Å; V83-I116 HydrophobicContact CG2-CD1 3.91Å; V83-I116 HydrophobicContact CG2-CG1 3.79Å; L84-I116 PolarHBondContact N-O 3.48Å; M114-I116 HydrophobicContact CE-CG2 3.81Å; I116-L118 HydrophobicContact CD1-CD2 4.45Å; I116-W147 HydrophobicContact CB-CZ3 4.09Å; I116-W147 HydrophobicContact CG2-CZ3 3.93Å; I116-P160 HydrophobicContact CD1-CB 4.02Å; I116-M163 HydrophobicContact CG2-CE 3.19Å; I116-L164 HydrophobicContact CD1-CB 4.18Å; I116-L164 HydrophobicContact CD1-CD2 4.06Å; I116-L164 HydrophobicContact CG1-CD2 4.33Å; I116-L164 HydrophobicContact CG2-CB 4.44Å; I116-L164 HydrophobicContact CG2-CD1 4.32Å
117V98.8Very high87.1Confident0 Ų080.8 Ų80.80%037%0.371CS..EExtended strand (participates in β ladder)trans-123.2134.4178.7-173.10000110L84 Y86 V97 W138 V144 K145 L146 W147L84-V117 HydrophobicContact CB-CG2 4.24Å; L84-V117 HydrophobicContact CD1-CG2 4.47Å; L84-V117 CarbonylContact O-C 3.43Å; L84-V117 VanDerWaalsContact O-CA 3.3Å; L84-V117 WeakPolarHBondContact O-CA 3.47Å; Y86-V117 HydrophobicContact CD1-CG1 3.88Å; Y86-V117 HydrophobicContact CE1-CG1 3.89Å; V97-V117 HydrophobicContact CG1-CG1 3.83Å; V97-V117 HydrophobicContact CG1-CG2 4.36Å; V117-W138 HydrophobicContact CG1-CZ3 4.28Å; V117-W138 HydrophobicContact CG2-CH2 4.08Å; V117-W138 HydrophobicContact CG2-CZ3 3.94Å; V117-V144 HydrophobicContact CG2-CB 4.3Å; V117-V144 HydrophobicContact CG2-CG2 3.82Å; V117-K145 PolarHBondContact N-O 3.22Å; V117-L146 HydrophobicContact CB-CB 4.16Å; V117-L146 HydrophobicContact CB-CD1 4.18Å; V117-L146 HydrophobicContact CB-CG 4.05Å; V117-L146 HydrophobicContact CG1-CD1 3.84Å; V117-L146 HydrophobicContact CG1-CG 4.06Å; V117-L146 VanDerWaalsContact O-CA 3.29Å; V117-L146 WeakPolarHBondContact O-CA 3.44Å; V117-W147 PolarHBondContact O-N 3.33Å
118L98.8Very high87.8Confident0 Ų081.5 Ų81.50%037%0.366CS..EExtended strand (participates in β ladder)trans-117.5120.1175.5-58.3-177.8000109.8I20 V83 L84 V85 Y86 I116 W147 V149 P160 F161I20-L118 HydrophobicContact CD1-CD1 4.15Å; I20-L118 HydrophobicContact CG2-CD1 4.12Å; V83-L118 HydrophobicContact CG1-CD1 3.54Å; V83-L118 HydrophobicContact CG1-CG 3.8Å; L84-L118 PolarHBondContact O-N 3.48Å; V85-L118 WeakPolarHBondContact CA-O 3.25Å; V85-L118 HydrophobicContact CG2-CB 4.49Å; Y86-L118 WeakPolarHBondContact CD1-O 3.41Å; Y86-L118 PolarHBondContact N-O 2.75Å; I116-L118 HydrophobicContact CD1-CD2 4.45Å; L118-W147 CarbonylContact C-O 3.6Å; L118-W147 WeakPolarHBondContact CA-O 3.48Å; L118-W147 HydrophobicContact CD2-CB 4.15Å; L118-V149 HydrophobicContact CB-CG2 4.17Å; L118-V149 HydrophobicContact CD2-CG1 4.13Å; L118-P160 HydrophobicContact CD2-CB 3.72Å; L118-P160 HydrophobicContact CD2-CG 3.91Å; L118-F161 HydrophobicContact CD1-CE2 3.98Å; L118-F161 HydrophobicContact CD1-CZ 4.44Å
119G98.6Very high89.1Confident0 Ų083.6 Ų83.60%038%0.379CS..EExtended strand (participates in β ladder)trans-92.695.6167.300000109.9W147 E148 V149G119-W147 PolarHBondContact N-O 2.83Å; G119-E148 CarbonylContact O-C 3.28Å; G119-E148 VanDerWaalsContact O-CA 3.29Å; G119-E148 WeakPolarHBondContact O-CA 3.42Å; G119-V149 PolarHBondContact O-N 3.27Å
120N98.2Very high90.9Very high2 Ų276.2 Ų76.21%0.01134%0.34CS..EExtended strand (participates in β ladder)trans-82.7168.5-173.9-166.827.4000112.7V15 I20 V85 Y86 V88 V149V15-N120 PolarHBondContact O-ND2 2.96Å; I20-N120 HydrophobicContact CD1-CB 4.08Å; V85-N120 HydrophobicContact CG1-CB 4.29Å; Y86-N120 PolarHBondContact O-N 3.35Å; V88-N120 WeakPolarHBondContact CG1-O 3.36Å; V88-N120 PolarHBondContact N-O 2.82Å; N120-V149 CarbonylContact C-O 3.57Å; N120-V149 WeakPolarHBondContact CA-O 3.37Å; N120-V149 HydrophobicContact CB-CG2 4.28Å
121K96.1Very high93.2Very high50 Ų5072.8 Ų72.822%0.21733%0.327CS..  trans6837.6174.9-45.9-167.9-158.8165.20114.6S14 S87 V88 D123 L124 V149S14-K121 VanDerWaalsContact O-CE 3.3Å; S14-K121 WeakPolarHBondContact O-CE 3.49Å; S14-K121 PolarHBondContact O-NZ 3.28Å; S87-K121 WeakPolarHBondContact OG-CD 3.29Å; S87-K121 WeakPolarHBondContact OG-CE 3.32Å; S87-K121 WeakPolarHBondContact OG-CG 3.5Å; S87-K121 PolarHBondContact OG-NZ 3.38Å; V88-K121 WeakPolarHBondContact CG2-O 3.27Å; K121-D123 VanDerWaalsContact CA-OD1 3.23Å; K121-D123 WeakPolarHBondContact CA-OD1 3.32Å; K121-D123 PolarHBondContact O-N 3.33Å; K121-D123 VanDerWaalsContact O-N 3.11Å; K121-L124 HydrophobicContact CB-CD1 3.92Å; K121-L124 HydrophobicContact CB-CG 4.13Å; K121-L124 HydrophobicContact CD-CD1 3.75Å; K121-L124 HydrophobicContact CG-CD1 4.48Å; K121-L124 WeakPolarHBondContact O-CB 3.49Å; K121-L124 PolarHBondContact O-N 3.04Å; K121-V149 PolarHBondContact N-O 2.98Å; K121-V149 VanDerWaalsContact N-O 3.13Å
122T96.6Very high94.8Very high25 Ų2569.7 Ų69.715%0.15332%0.315CS..THydrogen-bonded Turntrans-62.7-14.6177.855.80000114.1V88 L124 R125 E148 V149 S150V88-T122 HydrophobicContact CG1-CG2 4.25Å; T122-L124 VanDerWaalsContact C-N 3.27Å; T122-R125 VanDerWaalsContact O-CG 3.29Å; T122-R125 WeakPolarHBondContact O-CG 3.36Å; T122-E148 HydrophobicContact CG2-CB 3.6Å; T122-E148 HydrophobicContact CG2-CG 4.33Å; T122-V149 WeakPolarHBondContact CG2-O 3.21Å; T122-V149 PolarHBondContact N-O 3.34Å; T122-V149 PolarHBondContact OG1-O 3.29Å; T122-S150 WeakPolarHBondContact OG1-CB 3.32Å
123D93.9Very high96.2Very high71 Ų7166.4 Ų66.438%0.3830%0.299SS..THydrogen-bonded Turntrans-65-27.3168.959.9-65.5000112.6K121 R125 S150K121-D123 VanDerWaalsContact CA-OD1 3.23Å; K121-D123 WeakPolarHBondContact CA-OD1 3.32Å; K121-D123 PolarHBondContact O-N 3.33Å; K121-D123 VanDerWaalsContact O-N 3.11Å; D123-R125 PolarHBondContact O-N 3.31Å; D123-S150 PolarHBondContact OD1-OG 2.89Å
124L93.6Very high96.8Very high49 Ų4967.7 Ų67.726%0.25731%0.312SS..  trans-82.949.5179.2-58.4-177.1000113.1D89 K121 T122 E126 R127 R128D89-L124 HydrophobicContact CB-CD1 4.37Å; D89-L124 WeakPolarHBondContact OD2-CD1 3.27Å; K121-L124 HydrophobicContact CB-CD1 3.92Å; K121-L124 HydrophobicContact CB-CG 4.13Å; K121-L124 HydrophobicContact CD-CD1 3.75Å; K121-L124 HydrophobicContact CG-CD1 4.48Å; K121-L124 WeakPolarHBondContact O-CB 3.49Å; K121-L124 PolarHBondContact O-N 3.04Å; T122-L124 VanDerWaalsContact C-N 3.27Å; L124-E126 VanDerWaalsContact C-N 3.3Å; L124-E126 PolarHBondContact O-N 3.43Å; L124-R127 HydrophobicContact CB-CB 4.4Å; L124-R127 PolarHBondContact O-N 2.9Å; L124-R128 PolarHBondContact O-N 2.97Å
125R93.5Very high97.1Very high196 Ų19665.7 Ų65.774%0.7430%0.303SS*.G310 helixtrans-55-41.6-173.3-62-176.7-178-178.21.5113.7T122 D123 R127 R128T122-R125 VanDerWaalsContact O-CG 3.29Å; T122-R125 WeakPolarHBondContact O-CG 3.36Å; D123-R125 PolarHBondContact O-N 3.31Å; R125-R127 PolarHBondContact O-N 3Å; R125-R128 WeakPolarHBondContact O-CB 3.34Å; R125-R128 PolarHBondContact O-N 3.21Å
126E96.2Very high97.2Very high201 Ų20167.7 Ų67.794%0.93931%0.311SS*.G310 helixtrans-71.2-18.1-178.7-61.6-177.5172.400113.5L124L124-E126 VanDerWaalsContact C-N 3.3Å; L124-E126 PolarHBondContact O-N 3.43Å
127R96.3Very high97.2Very high173 Ų17372.5 Ų72.565%0.65333%0.334SS*.G310 helixtrans-102.76179.1-57.9-175.8-177.1-169.11112.4D89 L124 R125 Q129D89-R127 VanDerWaalsContact CA-O 3.27Å; D89-R127 WeakPolarHBondContact CA-O 3.42Å; D89-R127 HydrophobicContact CB-CB 3.91Å; D89-R127 WeakPolarHBondContact CB-O 3.29Å; L124-R127 HydrophobicContact CB-CB 4.4Å; L124-R127 PolarHBondContact O-N 2.9Å; R125-R127 PolarHBondContact O-N 3Å; R127-Q129 PolarHBondContact O-N 3.14Å
128R98.2Very high97.2Very high65 Ų6574.4 Ų74.425%0.24534%0.341CS..  trans-57.3129.1-177.5179.3177.8-75.4-938.1110.5L124 R125 V130 E148L124-R128 PolarHBondContact O-N 2.97Å; R125-R128 WeakPolarHBondContact O-CB 3.34Å; R125-R128 PolarHBondContact O-N 3.21Å; R128-V130 WeakPolarHBondContact CD-O 3.47Å; R128-V130 VanDerWaalsContact CG-O 3.25Å; R128-V130 WeakPolarHBondContact CG-O 3.28Å; R128-V130 PolarHBondContact NH1-O 3.42Å; R128-E148 IonicContact CZ-OE1 3.96Å; R128-E148 IonicContact CZ-OE2 3.71Å; R128-E148 IonicContact NH1-OE1 3.59Å; R128-E148 PolarHBondContact NH1-OE1 3Å; R128-E148 IonicContact NH1-OE2 2.73Å; R128-E148 PolarHBondContact NH1-OE2 3.43Å; R128-E148 IonicContact NH2-OE1 3.57Å; R128-E148 IonicContact NH2-OE2 3.59Å; R128-E148 PolarHBondContact NH2-OE2 2.95Å
129Q98.4Very high97.2Very high116 Ų11674.4 Ų74.454%0.54234%0.341SS..  trans-118.6-13.8174.5-60.5-177.16.100112.4V88 D89 L91 R127V88-Q129 PolarHBondContact O-N 3.16Å; D89-Q129 WeakPolarHBondContact O-CG 3.33Å; D89-Q129 PolarHBondContact O-NE2 3.03Å; D89-Q129 VanDerWaalsContact O-NE2 3.1Å; D89-Q129 PolarHBondContact O-OE1 3.17Å; L91-Q129 HydrophobicContact CB-CB 4.15Å; L91-Q129 VanDerWaalsContact N-OE1 3.12Å; R127-Q129 PolarHBondContact O-N 3.14Å
130V98.3Very high97.2Very high4 Ų482 Ų822%0.02437%0.37CS..SBendtrans-112.6113.5178.6-174.70000108.7Y86 V88 L91 F94 R128 Q132 A135Y86-V130 HydrophobicContact CD2-CG2 4.33Å; Y86-V130 HydrophobicContact CE2-CB 4.1Å; Y86-V130 HydrophobicContact CE2-CG1 3.86Å; Y86-V130 HydrophobicContact CE2-CG2 4.2Å; V88-V130 PolarHBondContact O-N 3.34Å; V88-V130 VanDerWaalsContact O-N 3.09Å; L91-V130 HydrophobicContact CD1-CG2 4.36Å; F94-V130 HydrophobicContact CB-CG1 4.31Å; F94-V130 HydrophobicContact CB-CG2 3.75Å; F94-V130 HydrophobicContact CD1-CG1 4.22Å; F94-V130 HydrophobicContact CD2-CG1 4.15Å; F94-V130 HydrophobicContact CG-CG1 3.95Å; F94-V130 HydrophobicContact CG-CG2 4.3Å; R128-V130 WeakPolarHBondContact CD-O 3.47Å; R128-V130 VanDerWaalsContact CG-O 3.25Å; R128-V130 WeakPolarHBondContact CG-O 3.28Å; R128-V130 PolarHBondContact NH1-O 3.42Å; V130-Q132 PolarHBondContact O-N 2.78Å; V130-A135 HydrophobicContact CG1-CB 3.98Å
131E97.9Very high97.2Very high129 Ų12984.6 Ų84.660%0.60340%0.398SS*.  trans-68.1130.4175.7-71-56.414500110.9E133 A134 A135E131-E133 VanDerWaalsContact C-N 3.26Å; E131-E133 PolarHBondContact O-N 3.05Å; E131-A134 HydrophobicContact CB-CB 4.07Å; E131-A134 PolarHBondContact O-N 2.54Å; E131-A134 VanDerWaalsContact O-N 3.15Å; E131-A135 PolarHBondContact O-N 3.4Å
132Q97.3Very high97.1Very high104 Ų10484.6 Ų84.649%0.48640%0.398SS..Hα-helixtrans-57.9-41.9-177-176.8-179.720.600111.1V130 A135 Q136 E148V130-Q132 PolarHBondContact O-N 2.78Å; Q132-A135 PolarHBondContact O-N 2.84Å; Q132-Q136 HydrophobicContact CG-CG 4.48Å; Q132-Q136 WeakPolarHBondContact O-CB 3.43Å; Q132-Q136 VanDerWaalsContact O-CG 3.24Å; Q132-Q136 WeakPolarHBondContact O-CG 3.48Å; Q132-Q136 PolarHBondContact O-N 2.88Å; Q132-E148 WeakPolarHBondContact CA-OE1 3.46Å; Q132-E148 WeakPolarHBondContact CB-OE1 3.1Å; Q132-E148 HydrophobicContact CG-CG 4.49Å
133E97.9Very high97.1Very high134 Ų13492.7 Ų92.763%0.62643%0.431SS*.Hα-helixtrans-64.2-43.8179.6-166.1-174.9167.500111.7E131 Q136 Q137E131-E133 VanDerWaalsContact C-N 3.26Å; E131-E133 PolarHBondContact O-N 3.05Å; E133-Q136 PolarHBondContact O-N 2.81Å; E133-Q137 HydrophobicContact CG-CG 4.46Å; E133-Q137 WeakPolarHBondContact O-CB 3.44Å; E133-Q137 VanDerWaalsContact O-CG 3.26Å; E133-Q137 WeakPolarHBondContact O-CG 3.44Å; E133-Q137 PolarHBondContact O-N 3.45Å; E133-Q137 PolarHBondContact OE1-NE2 3.47Å
134A98Very high97.2Very high51 Ų5190 Ų9042%0.42142%0.418SS..Hα-helixtrans-63.4-43.8178.500000111.5E131 Q136 Q137 W138E131-A134 HydrophobicContact CB-CB 4.07Å; E131-A134 PolarHBondContact O-N 2.54Å; E131-A134 VanDerWaalsContact O-N 3.15Å; A134-Q136 VanDerWaalsContact C-N 3.35Å; A134-Q136 PolarHBondContact O-N 2.47Å; A134-Q137 PolarHBondContact O-N 2.81Å; A134-W138 PolarHBondContact O-N 2.92Å
135A98.4Very high97.4Very high0 Ų094 Ų940%043%0.433CS..Hα-helixtrans-62.4-41.4175.800000112.1Y86 F94 V130 E131 Q132 W138 A139 L146Y86-A135 WeakPolarHBondContact OH-CB 3.36Å; F94-A135 HydrophobicContact CE2-CB 3.88Å; F94-A135 HydrophobicContact CZ-CB 4.08Å; V130-A135 HydrophobicContact CG1-CB 3.98Å; E131-A135 PolarHBondContact O-N 3.4Å; Q132-A135 PolarHBondContact O-N 2.84Å; A135-W138 PolarHBondContact O-N 2.79Å; A135-A139 WeakPolarHBondContact O-CB 3.3Å; A135-A139 PolarHBondContact O-N 3.25Å; A135-L146 HydrophobicContact CB-CD1 4.04Å
136Q98.4Very high97.6Very high52 Ų5285.2 Ų85.224%0.24340%0.4CS..Hα-helixtrans-68.7-37.5176.6-72.6-67.3-17.100112.6Q132 E133 A134 A139 R140 L146Q132-Q136 HydrophobicContact CG-CG 4.48Å; Q132-Q136 WeakPolarHBondContact O-CB 3.43Å; Q132-Q136 VanDerWaalsContact O-CG 3.24Å; Q132-Q136 WeakPolarHBondContact O-CG 3.48Å; Q132-Q136 PolarHBondContact O-N 2.88Å; E133-Q136 PolarHBondContact O-N 2.81Å; A134-Q136 VanDerWaalsContact C-N 3.35Å; A134-Q136 PolarHBondContact O-N 2.47Å; Q136-A139 PolarHBondContact O-N 3.46Å; Q136-R140 WeakPolarHBondContact O-CG 3.21Å; Q136-R140 PolarHBondContact O-N 2.92Å; Q136-R140 VanDerWaalsContact O-N 3.08Å; Q136-L146 PolarHBondContact NE2-O 3.31Å
137Q98.6Very high97.7Very high100 Ų10077.6 Ų77.647%0.46736%0.363SS..Hα-helixtrans-62.1-46.4173.2-75.1175.914.200111.1E133 A134 R140 G141E133-Q137 HydrophobicContact CG-CG 4.46Å; E133-Q137 WeakPolarHBondContact O-CB 3.44Å; E133-Q137 VanDerWaalsContact O-CG 3.26Å; E133-Q137 WeakPolarHBondContact O-CG 3.44Å; E133-Q137 PolarHBondContact O-N 3.45Å; E133-Q137 PolarHBondContact OE1-NE2 3.47Å; A134-Q137 PolarHBondContact O-N 2.81Å; Q137-R140 PolarHBondContact O-N 2.87Å; Q137-G141 PolarHBondContact O-N 3.34Å; Q137-G141 VanDerWaalsContact O-N 3.11Å
138W98.5Very high97.8Very high40 Ų4071.1 Ų71.115%0.15234%0.34CS..Hα-helixtrans-59.4-47.2174.517186.5000111.8F94 V97 D98 K101 V117 A134 A135 R140 G141 E142 V144 L146F94-W138 HydrophobicContact CE1-CG 4.44Å; F94-W138 HydrophobicContact CE2-CD2 4.24Å; F94-W138 AromaticContact CE2-CE3 3.85Å; F94-W138 HydrophobicContact CE2-CE3 3.85Å; F94-W138 HydrophobicContact CE2-CZ3 4.33Å; F94-W138 HydrophobicContact CZ-CB 3.92Å; F94-W138 AromaticContact CZ-CD2 3.74Å; F94-W138 HydrophobicContact CZ-CD2 3.74Å; F94-W138 AromaticContact CZ-CE3 3.78Å; F94-W138 HydrophobicContact CZ-CE3 3.78Å; F94-W138 AromaticContact CZ-CG 3.79Å; F94-W138 HydrophobicContact CZ-CG 3.79Å; V97-W138 HydrophobicContact CG1-CH2 3.56Å; V97-W138 HydrophobicContact CG1-CZ2 4.22Å; V97-W138 HydrophobicContact CG1-CZ3 4.12Å; D98-W138 HydrophobicContact CB-CZ2 4.22Å; D98-W138 PolarHBondContact OD1-NE1 3.17Å; K101-W138 HydrophobicContact CB-CZ2 4.31Å; V117-W138 HydrophobicContact CG1-CZ3 4.28Å; V117-W138 HydrophobicContact CG2-CH2 4.08Å; V117-W138 HydrophobicContact CG2-CZ3 3.94Å; A134-W138 PolarHBondContact O-N 2.92Å; A135-W138 PolarHBondContact O-N 2.79Å; W138-R140 VanDerWaalsContact C-N 3.29Å; W138-R140 PolarHBondContact O-N 3.46Å; W138-G141 WeakPolarHBondContact O-CA 3.48Å; W138-G141 PolarHBondContact O-N 2.87Å; W138-E142 HydrophobicContact CD2-CG 4.19Å; W138-E142 HydrophobicContact CH2-CG 4.43Å; W138-E142 HydrophobicContact CZ2-CB 4.33Å; W138-E142 HydrophobicContact CZ2-CG 3.68Å; W138-E142 PolarHBondContact O-N 3.13Å; W138-V144 HydrophobicContact CH2-CG2 4.2Å; W138-V144 HydrophobicContact CZ3-CG2 4.02Å; W138-L146 HydrophobicContact CE3-CD1 4.35Å; W138-L146 HydrophobicContact CZ3-CD1 4.33Å
139A98.3Very high97.8Very high1 Ų168 Ų681%0.00833%0.329CS..Hα-helixtrans-59.5-3918000000112.5A135 Q136 E142 K143 V144 L146A135-A139 WeakPolarHBondContact O-CB 3.3Å; A135-A139 PolarHBondContact O-N 3.25Å; Q136-A139 PolarHBondContact O-N 3.46Å; A139-E142 PolarHBondContact O-N 2.91Å; A139-K143 PolarHBondContact O-N 2.92Å; A139-V144 CarbonylContact C-O 3.6Å; A139-V144 HydrophobicContact CB-CG2 4.09Å; A139-V144 PolarHBondContact O-N 3.35Å; A139-V144 VanDerWaalsContact O-O 3.11Å; A139-L146 HydrophobicContact CB-CB 3.59Å; A139-L146 HydrophobicContact CB-CD1 4.08Å
140R98.1Very high97.6Very high158 Ų15862.6 Ų62.660%0.59630%0.303SS*.Hα-helixtrans-62.9-42.5172.8-73.4-172.9-67.2-98.410.1112.2Q136 Q137 W138 K143Q136-R140 WeakPolarHBondContact O-CG 3.21Å; Q136-R140 PolarHBondContact O-N 2.92Å; Q136-R140 VanDerWaalsContact O-N 3.08Å; Q137-R140 PolarHBondContact O-N 2.87Å; W138-R140 VanDerWaalsContact C-N 3.29Å; W138-R140 PolarHBondContact O-N 3.46Å; R140-K143 PolarHBondContact O-N 3.31Å
141G97.6Very high97.4Very high58 Ų5863.2 Ų63.260%0.59831%0.307SS*.Hα-helixtrans-62.3-43.7176.800000112.7Q137 W138 K143Q137-G141 PolarHBondContact O-N 3.34Å; Q137-G141 VanDerWaalsContact O-N 3.11Å; W138-G141 WeakPolarHBondContact O-CA 3.48Å; W138-G141 PolarHBondContact O-N 2.87Å; G141-K143 PolarHBondContact O-N 3Å
142E96.1Very high97Very high50 Ų5060 Ų6023%0.23430%0.296CS..THydrogen-bonded Turntrans-80-1.2178.6-68.9-59.2142.300113.9K101 W138 A139 V144K101-E142 HydrophobicContact CG-CB 4.46Å; K101-E142 HydrophobicContact CG-CG 4.46Å; K101-E142 IonicContact NZ-OE2 2.84Å; W138-E142 HydrophobicContact CD2-CG 4.19Å; W138-E142 HydrophobicContact CH2-CG 4.43Å; W138-E142 HydrophobicContact CZ2-CB 4.33Å; W138-E142 HydrophobicContact CZ2-CG 3.68Å; W138-E142 PolarHBondContact O-N 3.13Å; A139-E142 PolarHBondContact O-N 2.91Å; E142-V144 HydrophobicContact CB-CG2 4.01Å; E142-V144 PolarHBondContact O-N 2.75Å
143K94.9Very high96.8Very high194 Ų19460.6 Ų60.684%0.84330%0.299SS*.THydrogen-bonded Turntrans55.534.4-178.1-56175.7-176.3172.40113.4A139 R140 G141A139-K143 PolarHBondContact O-N 2.92Å; R140-K143 PolarHBondContact O-N 3.31Å; G141-K143 PolarHBondContact O-N 3Å
144V96.4Very high96.5Very high16 Ų1658.9 Ų58.910%0.09729%0.287CS..  trans-109.4156175.1-65.80000110.6K101 V115 V117 W138 A139 E142K101-V144 HydrophobicContact CD-CG1 4.05Å; V115-V144 HydrophobicContact CB-CG1 4.09Å; V115-V144 HydrophobicContact CG1-CG1 4.19Å; V117-V144 HydrophobicContact CG2-CB 4.3Å; V117-V144 HydrophobicContact CG2-CG2 3.82Å; W138-V144 HydrophobicContact CH2-CG2 4.2Å; W138-V144 HydrophobicContact CZ3-CG2 4.02Å; A139-V144 CarbonylContact C-O 3.6Å; A139-V144 HydrophobicContact CB-CG2 4.09Å; A139-V144 PolarHBondContact O-N 3.35Å; A139-V144 VanDerWaalsContact O-O 3.11Å; E142-V144 HydrophobicContact CB-CG2 4.01Å; E142-V144 PolarHBondContact O-N 2.75Å
145K97.8Very high96.2Very high133 Ų13363.2 Ų63.258%0.57830%0.303SS*.EExtended strand (participates in β ladder)trans-91133.3170.7-66.9-69.2-172.8174.40109.6V117 W147 M163V117-K145 PolarHBondContact N-O 3.22Å; K145-W147 HydrophobicContact CB-CE3 4.15Å; K145-W147 HydrophobicContact CB-CH2 3.28Å; K145-W147 HydrophobicContact CB-CZ2 4.24Å; K145-W147 HydrophobicContact CB-CZ3 3.24Å; K145-W147 HydrophobicContact CG-CH2 3.94Å; K145-W147 HydrophobicContact CG-CZ3 4.36Å; K145-M163 HydrophobicContact CB-CE 4.38Å
146L98.6Very high96Very high10 Ų1064.7 Ų64.75%0.05231%0.313CS..EExtended strand (participates in β ladder)trans-122.4128.1179.3-173.9155.9000109.9Y86 F94 V117 A135 Q136 W138 A139 E148Y86-L146 HydrophobicContact CE1-CD1 3.87Å; Y86-L146 HydrophobicContact CE1-CG 4.37Å; F94-L146 HydrophobicContact CE2-CD1 4.45Å; V117-L146 HydrophobicContact CB-CB 4.16Å; V117-L146 HydrophobicContact CB-CD1 4.18Å; V117-L146 HydrophobicContact CB-CG 4.05Å; V117-L146 HydrophobicContact CG1-CD1 3.84Å; V117-L146 HydrophobicContact CG1-CG 4.06Å; V117-L146 VanDerWaalsContact O-CA 3.29Å; V117-L146 WeakPolarHBondContact O-CA 3.44Å; A135-L146 HydrophobicContact CB-CD1 4.04Å; Q136-L146 PolarHBondContact NE2-O 3.31Å; W138-L146 HydrophobicContact CE3-CD1 4.35Å; W138-L146 HydrophobicContact CZ3-CD1 4.33Å; A139-L146 HydrophobicContact CB-CB 3.59Å; A139-L146 HydrophobicContact CB-CD1 4.08Å; L146-E148 HydrophobicContact CD2-CG 4.26Å
147W98.6Very high95.8Very high42 Ų4262.2 Ų62.216%0.15930%0.302CS..EExtended strand (participates in β ladder)trans-114.3136.5168.8-69.2-99.6000109.9I116 V117 L118 G119 K145 V149 P160 M163I116-W147 HydrophobicContact CB-CZ3 4.09Å; I116-W147 HydrophobicContact CG2-CZ3 3.93Å; V117-W147 PolarHBondContact O-N 3.33Å; L118-W147 CarbonylContact C-O 3.6Å; L118-W147 WeakPolarHBondContact CA-O 3.48Å; L118-W147 HydrophobicContact CD2-CB 4.15Å; G119-W147 PolarHBondContact N-O 2.83Å; K145-W147 HydrophobicContact CB-CE3 4.15Å; K145-W147 HydrophobicContact CB-CH2 3.28Å; K145-W147 HydrophobicContact CB-CZ2 4.24Å; K145-W147 HydrophobicContact CB-CZ3 3.24Å; K145-W147 HydrophobicContact CG-CH2 3.94Å; K145-W147 HydrophobicContact CG-CZ3 4.36Å; W147-V149 HydrophobicContact CB-CG1 3.98Å; W147-P160 HydrophobicContact CB-CG 3.85Å; W147-P160 HydrophobicContact CD2-CB 3.97Å; W147-P160 HydrophobicContact CD2-CG 3.81Å; W147-P160 HydrophobicContact CE3-CB 3.88Å; W147-P160 HydrophobicContact CE3-CG 4.21Å; W147-P160 HydrophobicContact CG-CB 4.31Å; W147-P160 HydrophobicContact CG-CG 3.64Å; W147-P160 HydrophobicContact CZ3-CB 4.36Å; W147-M163 HydrophobicContact CH2-CB 4.28Å; W147-M163 HydrophobicContact CH2-CE 3.35Å; W147-M163 HydrophobicContact CH2-CG 4.05Å; W147-M163 HydrophobicContact CH2-SD 4.4Å; W147-M163 HydrophobicContact CZ2-CB 4.47Å; W147-M163 HydrophobicContact CZ2-CE 4.48Å; W147-M163 HydrophobicContact CZ2-CG 4.4Å; W147-M163 HydrophobicContact CZ3-CE 3.75Å
148E98.2Very high95.6Very high36 Ų3660.9 Ų60.917%0.16830%0.297CS..EExtended strand (participates in β ladder)trans-87.6127.3163.4-79.6-159.1174.500108.2G119 T122 R128 Q132 L146G119-E148 CarbonylContact O-C 3.28Å; G119-E148 VanDerWaalsContact O-CA 3.29Å; G119-E148 WeakPolarHBondContact O-CA 3.42Å; T122-E148 HydrophobicContact CG2-CB 3.6Å; T122-E148 HydrophobicContact CG2-CG 4.33Å; R128-E148 IonicContact CZ-OE1 3.96Å; R128-E148 IonicContact CZ-OE2 3.71Å; R128-E148 IonicContact NH1-OE1 3.59Å; R128-E148 PolarHBondContact NH1-OE1 3Å; R128-E148 IonicContact NH1-OE2 2.73Å; R128-E148 PolarHBondContact NH1-OE2 3.43Å; R128-E148 IonicContact NH2-OE1 3.57Å; R128-E148 IonicContact NH2-OE2 3.59Å; R128-E148 PolarHBondContact NH2-OE2 2.95Å; Q132-E148 WeakPolarHBondContact CA-OE1 3.46Å; Q132-E148 WeakPolarHBondContact CB-OE1 3.1Å; Q132-E148 HydrophobicContact CG-CG 4.49Å; L146-E148 HydrophobicContact CD2-CG 4.26Å
149V97.6Very high95.5Very high1 Ų165 Ų651%0.00632%0.318CS..  trans-133.8160.1-170.7-59.40000111L118 G119 N120 K121 T122 W147 S156 L157 P160L118-V149 HydrophobicContact CB-CG2 4.17Å; L118-V149 HydrophobicContact CD2-CG1 4.13Å; G119-V149 PolarHBondContact O-N 3.27Å; N120-V149 CarbonylContact C-O 3.57Å; N120-V149 WeakPolarHBondContact CA-O 3.37Å; N120-V149 HydrophobicContact CB-CG2 4.28Å; K121-V149 PolarHBondContact N-O 2.98Å; K121-V149 VanDerWaalsContact N-O 3.13Å; T122-V149 WeakPolarHBondContact CG2-O 3.21Å; T122-V149 PolarHBondContact N-O 3.34Å; T122-V149 PolarHBondContact OG1-O 3.29Å; W147-V149 HydrophobicContact CB-CG1 3.98Å; V149-S156 WeakPolarHBondContact CG1-O 3.46Å; V149-L157 HydrophobicContact CB-CD2 3.75Å; V149-L157 HydrophobicContact CG1-CD2 4.14Å; V149-L157 HydrophobicContact CG2-CD2 3.84Å; V149-P160 HydrophobicContact CG1-CG 4.38Å
150S95.1Very high95.5Very high1 Ų164.9 Ų64.91%0.00732%0.317CS..  trans-132.1136166176.50000109.8T122 D123 T152 E153 S156T122-S150 WeakPolarHBondContact OG1-CB 3.32Å; D123-S150 PolarHBondContact OD1-OG 2.89Å; S150-T152 PolarHBondContact O-N 3.36Å; S150-T152 WeakPolarHBondContact OG-CB 3.44Å; S150-T152 PolarHBondContact OG-N 2.84Å; S150-T152 PolarHBondContact OG-OG1 2.66Å; S150-E153 CarbonylContact O-C 3.53Å; S150-E153 VanDerWaalsContact O-C 3.28Å; S150-E153 WeakPolarHBondContact O-CA 3.19Å; S150-E153 PolarHBondContact O-N 2.9Å; S150-E153 VanDerWaalsContact O-O 3.07Å; S150-S156 PolarHBondContact N-OG 3.16Å; S150-S156 PolarHBondContact O-OG 2.88Å
151V92.6Very high95.4Very high17 Ų1757.4 Ų57.410%0.10329%0.289CS..THydrogen-bonded Turntrans-62.4-22.4168.7-61.50000111.8A19 I20 Q23 E153A19-V151 HydrophobicContact CB-CG1 3.96Å; I20-V151 HydrophobicContact CG1-CG1 3.78Å; Q23-V151 VanDerWaalsContact CG-O 3.26Å; Q23-V151 WeakPolarHBondContact CG-O 3.38Å; Q23-V151 PolarHBondContact NE2-O 2.92Å; V151-E153 PolarHBondContact O-N 3.19Å
152T90.6Very high95.3Very high61 Ų6156.1 Ų56.137%0.37427%0.27SS..THydrogen-bonded Turntrans-71.7-21.2172.872.50000112.4V31 S150V31-T152 HydrophobicContact CG2-CG2 3.53Å; S150-T152 PolarHBondContact O-N 3.36Å; S150-T152 WeakPolarHBondContact OG-CB 3.44Å; S150-T152 PolarHBondContact OG-N 2.84Å; S150-T152 PolarHBondContact OG-OG1 2.66Å
153E92.2Very high95.3Very high117 Ų11755.6 Ų55.655%0.54727%0.268SS..  trans-116.579.9178.8-71-175.4-156.800110.4S150 V151 N155 S156S150-E153 CarbonylContact O-C 3.53Å; S150-E153 VanDerWaalsContact O-C 3.28Å; S150-E153 WeakPolarHBondContact O-CA 3.19Å; S150-E153 PolarHBondContact O-N 2.9Å; S150-E153 VanDerWaalsContact O-O 3.07Å; V151-E153 PolarHBondContact O-N 3.19Å; E153-N155 PolarHBondContact O-N 2.8Å; E153-S156 WeakPolarHBondContact O-CB 3.23Å; E153-S156 PolarHBondContact O-N 2.55Å; E153-S156 PolarHBondContact O-OG 3.43Å
154R91.3Very high95.3Very high99 Ų9946.3 Ų46.337%0.37423%0.227SC..G310 helixtrans-48.6-37.4-177.2-176179-175-166.82.1113.9Q23 L24 S156 L157Q23-R154 HydrophobicContact CG-CB 4.17Å; Q23-R154 HydrophobicContact CG-CG 4.26Å; Q23-R154 WeakPolarHBondContact O-CD 3.26Å; Q23-R154 PolarHBondContact O-NE 3.25Å; Q23-R154 VanDerWaalsContact O-NE 3.07Å; L24-R154 PolarHBondContact O-NH2 3.06Å; R154-S156 PolarHBondContact O-N 2.98Å; R154-L157 WeakPolarHBondContact O-CB 3.12Å; R154-L157 PolarHBondContact O-N 2.85Å
155N91.9Very high95.2Very high142 Ų14245.6 Ų45.676%0.75922%0.223SC*.G310 helixtrans-60.9-29.4-179.2-69.1-16.7000112.9E153 L157 I158E153-N155 PolarHBondContact O-N 2.8Å; N155-L157 PolarHBondContact O-N 3.02Å; N155-I158 PolarHBondContact O-N 3.33Å
156S94.3Very high95Very high30 Ų3039.4 Ų39.421%0.2120%0.196CC..G310 helixtrans-64.1-20.8175.671.70000113.2V149 S150 E153 R154 P160V149-S156 WeakPolarHBondContact CG1-O 3.46Å; S150-S156 PolarHBondContact N-OG 3.16Å; S150-S156 PolarHBondContact O-OG 2.88Å; E153-S156 WeakPolarHBondContact O-CB 3.23Å; E153-S156 PolarHBondContact O-N 2.55Å; E153-S156 PolarHBondContact O-OG 3.43Å; R154-S156 PolarHBondContact O-N 2.98Å; S156-P160 VanDerWaalsContact O-CD 3.28Å; S156-P160 WeakPolarHBondContact O-CD 3.29Å; S156-P160 WeakPolarHBondContact O-CG 3.43Å
157L95.4Very high94.6Very high0 Ų045.8 Ų45.80%022%0.22CC..G310 helixtrans-87.6-16.9-179.6-52177.4000113I20 Q23 L24 V149 R154 N155 F161I20-L157 HydrophobicContact CG1-CD2 4.29Å; I20-L157 HydrophobicContact CG2-CD2 4.1Å; Q23-L157 HydrophobicContact CB-CD1 3.89Å; Q23-L157 HydrophobicContact CG-CD1 3.83Å; L24-L157 HydrophobicContact CB-CD1 4.46Å; L24-L157 HydrophobicContact CD1-CB 4Å; V149-L157 HydrophobicContact CB-CD2 3.75Å; V149-L157 HydrophobicContact CG1-CD2 4.14Å; V149-L157 HydrophobicContact CG2-CD2 3.84Å; R154-L157 WeakPolarHBondContact O-CB 3.12Å; R154-L157 PolarHBondContact O-N 2.85Å; N155-L157 PolarHBondContact O-N 3.02Å; L157-F161 WeakPolarHBondContact O-CD2 3.37Å
158I94.6Very high94.3Very high72 Ų7245.6 Ų45.637%0.36922%0.221SC..Hα-helixtrans-71.8-53.3-172.7-56.7-60000111.2L24 N155 F161 T162L24-I158 HydrophobicContact CD1-CD1 3.96Å; N155-I158 PolarHBondContact O-N 3.33Å; I158-F161 PolarHBondContact O-N 3.43Å; I158-T162 WeakPolarHBondContact O-CB 3.21Å; I158-T162 PolarHBondContact O-N 2.94Å; I158-T162 PolarHBondContact O-OG1 2.97Å
159E95.8Very high93.8Very high126 Ų12645 Ų4559%0.58922%0.221SC*.Hα-helixtrans-58.6-46-175.8-176-173175.300113.9F161 T162 M163E159-F161 VanDerWaalsContact C-N 3.31Å; E159-F161 PolarHBondContact O-N 3.31Å; E159-T162 PolarHBondContact O-N 3.18Å; E159-M163 WeakPolarHBondContact O-CB 3.5Å; E159-M163 PolarHBondContact O-N 2.91Å
160P97.4Very high93Very high0 Ų049.5 Ų49.50%024%0.241CC..Hα-helixtrans-57.5-43.6178.3-21.829.6000112.9I116 L118 W147 V149 S156 L164I116-P160 HydrophobicContact CD1-CB 4.02Å; L118-P160 HydrophobicContact CD2-CB 3.72Å; L118-P160 HydrophobicContact CD2-CG 3.91Å; W147-P160 HydrophobicContact CB-CG 3.85Å; W147-P160 HydrophobicContact CD2-CB 3.97Å; W147-P160 HydrophobicContact CD2-CG 3.81Å; W147-P160 HydrophobicContact CE3-CB 3.88Å; W147-P160 HydrophobicContact CE3-CG 4.21Å; W147-P160 HydrophobicContact CG-CB 4.31Å; W147-P160 HydrophobicContact CG-CG 3.64Å; W147-P160 HydrophobicContact CZ3-CB 4.36Å; V149-P160 HydrophobicContact CG1-CG 4.38Å; S156-P160 VanDerWaalsContact O-CD 3.28Å; S156-P160 WeakPolarHBondContact O-CD 3.29Å; S156-P160 WeakPolarHBondContact O-CG 3.43Å; P160-L164 WeakPolarHBondContact O-CB 3.35Å; P160-L164 PolarHBondContact O-N 2.97Å
161F96.6Very high91.6Very high1 Ų154.1 Ų54.10%0.00427%0.272CS..Hα-helixtrans-76.8-35.4-178.1-77.6-95.7000112.2I20 L21 L24 L59 V83 L118 L157 I158 E159 T165I20-F161 HydrophobicContact CG2-CE2 3.93Å; I20-F161 HydrophobicContact CG2-CZ 4.03Å; L21-F161 HydrophobicContact CD2-CE1 4.2Å; L21-F161 HydrophobicContact CD2-CZ 4.03Å; L24-F161 HydrophobicContact CD1-CB 4.47Å; L24-F161 HydrophobicContact CD1-CD2 4.26Å; L24-F161 HydrophobicContact CD1-CG 4.4Å; L24-F161 HydrophobicContact CD2-CB 4.13Å; L24-F161 HydrophobicContact CD2-CD1 3.53Å; L24-F161 HydrophobicContact CD2-CD2 3.74Å; L24-F161 HydrophobicContact CD2-CE1 3.73Å; L24-F161 HydrophobicContact CD2-CE2 3.91Å; L24-F161 HydrophobicContact CD2-CG 3.51Å; L24-F161 HydrophobicContact CD2-CZ 3.9Å; L59-F161 HydrophobicContact CD1-CE1 4.06Å; L59-F161 HydrophobicContact CD2-CE1 4.25Å; V83-F161 HydrophobicContact CG2-CE1 4.39Å; L118-F161 HydrophobicContact CD1-CE2 3.98Å; L118-F161 HydrophobicContact CD1-CZ 4.44Å; L157-F161 WeakPolarHBondContact O-CD2 3.37Å; I158-F161 PolarHBondContact O-N 3.43Å; E159-F161 VanDerWaalsContact C-N 3.31Å; E159-F161 PolarHBondContact O-N 3.31Å; F161-T165 VanDerWaalsContact O-CB 3.3Å; F161-T165 WeakPolarHBondContact O-CB 3.35Å; F161-T165 PolarHBondContact O-N 2.67Å; F161-T165 PolarHBondContact O-OG1 3.01Å
162T95.7Very high89.9Confident31 Ų3162 Ų6219%0.1931%0.307CS..Hα-helixtrans-59.5-48.5170.4-72.50000110.6E48 I158 E159 T165 S166E48-T162 WeakPolarHBondContact O-CG2 3.37Å; E48-T162 PolarHBondContact O-OG1 2.94Å; I158-T162 WeakPolarHBondContact O-CB 3.21Å; I158-T162 PolarHBondContact O-N 2.94Å; I158-T162 PolarHBondContact O-OG1 2.97Å; E159-T162 PolarHBondContact O-N 3.18Å; T162-T165 PolarHBondContact O-N 3.23Å; T162-S166 WeakPolarHBondContact O-CB 3.32Å; T162-S166 PolarHBondContact O-N 2.9Å; T162-S166 PolarHBondContact O-OG 3.11Å
163M95.3Very high87.8Confident38 Ų3864.5 Ų64.519%0.18733%0.327CS..Hα-helixtrans-61.8-47.7178.8-172.1-67.7-57.900111.6M114 I116 K145 W147 E159 T165 S166 R167M114-M163 HydrophobicContact CE-CE 3.29Å; M114-M163 HydrophobicContact CE-SD 3.6Å; M114-M163 VanDerWaalsContact CE-SD 3.6Å; I116-M163 HydrophobicContact CG2-CE 3.19Å; K145-M163 HydrophobicContact CB-CE 4.38Å; W147-M163 HydrophobicContact CH2-CB 4.28Å; W147-M163 HydrophobicContact CH2-CE 3.35Å; W147-M163 HydrophobicContact CH2-CG 4.05Å; W147-M163 HydrophobicContact CH2-SD 4.4Å; W147-M163 HydrophobicContact CZ2-CB 4.47Å; W147-M163 HydrophobicContact CZ2-CE 4.48Å; W147-M163 HydrophobicContact CZ2-CG 4.4Å; W147-M163 HydrophobicContact CZ3-CE 3.75Å; E159-M163 WeakPolarHBondContact O-CB 3.5Å; E159-M163 PolarHBondContact O-N 2.91Å; M163-T165 VanDerWaalsContact C-N 3.34Å; M163-T165 PolarHBondContact O-N 3.2Å; M163-S166 PolarHBondContact O-N 2.97Å; M163-R167 WeakPolarHBondContact O-CG 3.43Å; M163-R167 PolarHBondContact O-N 3.23Å; M163-R167 HydrophobicContact SD-CG 3.67Å
164L95.5Very high85.5Confident0 Ų068.5 Ų68.50%034%0.343CS..Hα-helixtrans-55.9-48.8175.7176.564.1000111.3V7 V83 M114 I116 P160 R167 L168V7-L164 HydrophobicContact CG1-CD2 3.82Å; V7-L164 HydrophobicContact CG2-CD2 4.11Å; V83-L164 HydrophobicContact CG2-CD2 3.73Å; M114-L164 HydrophobicContact CB-CD1 4.06Å; M114-L164 HydrophobicContact CG-CD1 3.49Å; M114-L164 VanDerWaalsContact CG-CD1 3.49Å; I116-L164 HydrophobicContact CD1-CB 4.18Å; I116-L164 HydrophobicContact CD1-CD2 4.06Å; I116-L164 HydrophobicContact CG1-CD2 4.33Å; I116-L164 HydrophobicContact CG2-CB 4.44Å; I116-L164 HydrophobicContact CG2-CD1 4.32Å; P160-L164 WeakPolarHBondContact O-CB 3.35Å; P160-L164 PolarHBondContact O-N 2.97Å; L164-R167 PolarHBondContact O-N 3.25Å; L164-L168 HydrophobicContact CD1-CD1 3.8Å; L164-L168 HydrophobicContact CD1-CG 4.17Å; L164-L168 HydrophobicContact CG-CD1 3.87Å; L164-L168 WeakPolarHBondContact O-CB 3.26Å; L164-L168 VanDerWaalsContact O-CG 3.28Å; L164-L168 WeakPolarHBondContact O-CG 3.31Å; L164-L168 PolarHBondContact O-N 2.7Å
165T94.3Very high83.4Confident0 Ų068.5 Ų68.50%036%0.358CS..Hα-helixtrans-61.9-49.2-179.5-54.70000111.1V47 T49 E55 L57 F161 T162 M163 R167 L168 T169V47-T165 HydrophobicContact CB-CG2 4.16Å; V47-T165 WeakPolarHBondContact CB-OG1 3.11Å; V47-T165 HydrophobicContact CG1-CG2 4.43Å; V47-T165 WeakPolarHBondContact CG1-OG1 3.47Å; T49-T165 HydrophobicContact CG2-CG2 3.75Å; E55-T165 HydrophobicContact CB-CG2 3.55Å; E55-T165 HydrophobicContact CG-CG2 4.24Å; L57-T165 VanDerWaalsContact CD1-OG1 3.32Å; L57-T165 WeakPolarHBondContact CD1-OG1 3.1Å; L57-T165 HydrophobicContact CD2-CG2 4.26Å; L57-T165 HydrophobicContact CG-CG2 4.44Å; F161-T165 VanDerWaalsContact O-CB 3.3Å; F161-T165 WeakPolarHBondContact O-CB 3.35Å; F161-T165 PolarHBondContact O-N 2.67Å; F161-T165 PolarHBondContact O-OG1 3.01Å; T162-T165 PolarHBondContact O-N 3.23Å; M163-T165 VanDerWaalsContact C-N 3.34Å; M163-T165 PolarHBondContact O-N 3.2Å; T165-R167 VanDerWaalsContact C-N 3.26Å; T165-R167 PolarHBondContact O-N 3.01Å; T165-L168 PolarHBondContact O-N 2.91Å; T165-L168 VanDerWaalsContact O-N 3.16Å; T165-T169 HydrophobicContact CG2-CG2 4.42Å; T165-T169 PolarHBondContact O-N 3.1Å; T165-T169 PolarHBondContact O-OG1 3.29Å
166S93Very high81.2Confident3 Ų366.2 Ų66.22%0.02136%0.359CS..Hα-helixtrans-56.6-40.3178.5-73.30000112.5T49 D50 T162 M163 Q170T49-S166 WeakPolarHBondContact CA-OG 3.26Å; T49-S166 WeakPolarHBondContact CB-OG 3.5Å; D50-S166 PolarHBondContact N-OG 3Å; D50-S166 VanDerWaalsContact OD1-CB 3.25Å; D50-S166 WeakPolarHBondContact OD1-CB 3.43Å; D50-S166 PolarHBondContact OD1-OG 3.22Å; T162-S166 WeakPolarHBondContact O-CB 3.32Å; T162-S166 PolarHBondContact O-N 2.9Å; T162-S166 PolarHBondContact O-OG 3.11Å; M163-S166 PolarHBondContact O-N 2.97Å; S166-Q170 VanDerWaalsContact O-CG 3.28Å; S166-Q170 WeakPolarHBondContact O-CG 3.41Å; S166-Q170 PolarHBondContact O-N 3.3Å
167R91.8Very high79.4Confident144 Ų14473.9 Ų73.954%0.54339%0.389SS..Hα-helixtrans-69.3-42.5177.3-72.7-65-162.1163.27.3112.4M114 M163 L164 T165 T169M114-R167 HydrophobicContact CE-CB 4.46Å; M114-R167 HydrophobicContact CE-CG 4.15Å; M114-R167 HydrophobicContact CG-CB 4.09Å; M114-R167 HydrophobicContact SD-CB 4.01Å; M114-R167 HydrophobicContact SD-CG 4.13Å; M163-R167 WeakPolarHBondContact O-CG 3.43Å; M163-R167 PolarHBondContact O-N 3.23Å; M163-R167 HydrophobicContact SD-CG 3.67Å; L164-R167 PolarHBondContact O-N 3.25Å; T165-R167 VanDerWaalsContact C-N 3.26Å; T165-R167 PolarHBondContact O-N 3.01Å; R167-T169 VanDerWaalsContact C-N 3.35Å
168L90.9Very high77.3Confident38 Ų3879.6 Ų79.620%0.19943%0.425CS..Hα-helixtrans-69.4-31.7-179.1-71.6175.1000113C5 V7 L57 D80 M114 L164 T165C5-L168 HydrophobicContact CB-CB 4.29Å; C5-L168 HydrophobicContact CB-CD1 4.17Å; V7-L168 HydrophobicContact CG2-CD1 3.62Å; L57-L168 HydrophobicContact CD2-CD1 4.35Å; D80-L168 HydrophobicContact CB-CD2 4.23Å; D80-L168 WeakPolarHBondContact O-CD2 3.49Å; M114-L168 HydrophobicContact CB-CD2 3.7Å; M114-L168 HydrophobicContact CB-CG 4.22Å; L164-L168 HydrophobicContact CD1-CD1 3.8Å; L164-L168 HydrophobicContact CD1-CG 4.17Å; L164-L168 HydrophobicContact CG-CD1 3.87Å; L164-L168 WeakPolarHBondContact O-CB 3.26Å; L164-L168 VanDerWaalsContact O-CG 3.28Å; L164-L168 WeakPolarHBondContact O-CG 3.31Å; L164-L168 PolarHBondContact O-N 2.7Å; T165-L168 PolarHBondContact O-N 2.91Å; T165-L168 VanDerWaalsContact O-N 3.16Å
169T88.4Confident75.4Confident25 Ų2584 Ų8415%0.15345%0.449CS..THydrogen-bonded Turntrans-104.715.1-177.5680000113.2R51 E55 T165 R167 P171R51-T169 PolarHBondContact NH2-O 3.48Å; R51-T169 VanDerWaalsContact NH2-O 3.14Å; R51-T169 PolarHBondContact NH2-OG1 2.77Å; E55-T169 HydrophobicContact CB-CG2 3.96Å; E55-T169 HydrophobicContact CG-CG2 3.73Å; T165-T169 HydrophobicContact CG2-CG2 4.42Å; T165-T169 PolarHBondContact O-N 3.1Å; T165-T169 PolarHBondContact O-OG1 3.29Å; R167-T169 VanDerWaalsContact C-N 3.35Å; T169-P171 VanDerWaalsContact O-CD 3.27Å; T169-P171 WeakPolarHBondContact O-CD 3.34Å
170Q80.9Confident73.3Confident94 Ų9483.9 Ų83.944%0.43946%0.459SS..PPolyproline II helixtrans-61.9121.3171.9-101.816745.900109.5S166 Q172S166-Q170 VanDerWaalsContact O-CG 3.28Å; S166-Q170 WeakPolarHBondContact O-CG 3.41Å; S166-Q170 PolarHBondContact O-N 3.3Å; Q170-Q172 PolarHBondContact O-N 2.8Å; Q170-Q172 VanDerWaalsContact O-N 3.1Å
171P65.9Low71.1Confident99 Ų9987.4 Ų87.464%0.64350%0.495SS*.PPolyproline II helixtrans-57.4122.1170.4-18.929.5000107.3T169 S173T169-P171 VanDerWaalsContact O-CD 3.27Å; T169-P171 WeakPolarHBondContact O-CD 3.34Å; P171-S173 PolarHBondContact O-N 3.38Å
172Q55.2Low68.7Low183 Ų18399.2 Ų99.286%0.85554%0.54SS*.PPolyproline II helixtrans-54.4121.5166.2-68.7-157.4-22.700106.2Q170 K174Q170-Q172 PolarHBondContact O-N 2.8Å; Q170-Q172 VanDerWaalsContact O-N 3.1Å; Q172-K174 VanDerWaalsContact C-N 3.31Å; Q172-K174 PolarHBondContact O-N 3.39Å
173S47.3Very low66.5Low112 Ų112107.1 Ų107.178%0.78357%0.572SS**  trans-55.5106.4171.662.30000105.6P171 S175P171-S173 PolarHBondContact O-N 3.38Å; S173-S175 PolarHBondContact O-N 2.96Å
174K44.4Very low64.2Low201 Ų201110.8 Ų110.887%0.87460%0.601SS**  trans-58.9103.5160.7-70.2-174.8-179.4-179.90102.9Q172 A176Q172-K174 VanDerWaalsContact C-N 3.31Å; Q172-K174 PolarHBondContact O-N 3.39Å; K174-A176 PolarHBondContact O-N 3.25Å
175S45.9Very low62Low100 Ų100120 Ų12070%0.69964%0.641SS**  trans-46.6112166.6520000105.3S173 F177S173-S175 PolarHBondContact O-N 2.96Å; S175-F177 PolarHBondContact O-N 3.44Å
176A46.8Very low60Low93 Ų93123.5 Ų123.577%0.76968%0.677SS**  trans-52.7121.6172.500000105.9K174K174-A176 PolarHBondContact O-N 3.25Å
177F56.2Low57.6Low192 Ų192129.7 Ų129.784%0.84272%0.715SS**  trans-48.7131.6174.4-84.7-94.3000108.3S175 L179S175-F177 PolarHBondContact O-N 3.44Å; F177-L179 PolarHBondContact O-N 2.82Å
178P50.9Low55.5Low119 Ų119127.5 Ų127.577%0.77373%0.727SS**  trans-63.2112.5169.5-3.916.5000106.6P180P178-P180 WeakPolarHBondContact O-CD 3.32Å
179L56.1Low53.3Low165 Ų165130.5 Ų130.586%0.86475%0.751SS**PPolyproline II helixtrans-60.2123.7170-77.9162.7000107.6F177 G181F177-L179 PolarHBondContact O-N 2.82Å; L179-G181 PolarHBondContact O-N 3.07Å; L179-G181 VanDerWaalsContact O-N 3.15Å
180P50.1Low51.1Low124 Ų124137.4 Ų137.481%0.80579%0.787SS**PPolyproline II helixtrans-61.7121.2174.7-19.231000109.3P178 R182P178-P180 WeakPolarHBondContact O-CD 3.32Å; P180-R182 PolarHBondContact O-N 3.14Å
181G51.4Low49.4Very low73 Ų73139.7 Ų139.775%0.75380%0.803SS**PPolyproline II helixtrans-52.9124.517600000111.1L179 K183L179-G181 PolarHBondContact O-N 3.07Å; L179-G181 VanDerWaalsContact O-N 3.15Å; G181-K183 PolarHBondContact O-N 2.88Å
182R47.1Very low48.5Very low249 Ų249146.6 Ų146.694%0.9483%0.831SS**  trans-65.597.4173.6-170.1174.3177.1171.7-2108.3P180 S184P180-R182 PolarHBondContact O-N 3.14Å; R182-S184 PolarHBondContact O-N 3.08Å; R182-S184 VanDerWaalsContact O-N 3.08Å
183K49.2Very low48.2Very low198 Ų198144.8 Ų144.886%0.86183%0.83SS**  trans-64.6105.7167.1-77.5-173.6177.4-179.50108.2G181 K185G181-K183 PolarHBondContact O-N 2.88Å; K183-K185 PolarHBondContact O-N 3.05Å
184S47.2Very low48.3Very low114 Ų114146.5 Ų146.580%0.79783%0.833SS**  trans-66.7100.5162.555.40000107.8R182 G186R182-S184 PolarHBondContact O-N 3.08Å; R182-S184 VanDerWaalsContact O-N 3.08Å; S184-G186 PolarHBondContact O-N 3.24Å; S184-G186 VanDerWaalsContact O-N 3.11Å
185K49.2Very low48.5Very low194 Ų194143.4 Ų143.484%0.84383%0.831SS**  trans-63.1110162.9-93.7-175.3171.8-1780107.1K183K183-K185 PolarHBondContact O-N 3.05Å
186G51.1Low48.6Very low73 Ų73146 Ų14675%0.75384%0.838SS**  trans-63.8133.7153.400000108.5S184S184-G186 PolarHBondContact O-N 3.24Å; S184-G186 VanDerWaalsContact O-N 3.11Å
187T44.1Very low48.7Very low134 Ų134149.3 Ų149.382%0.82284%0.843SS**  trans-121.8118.5158.838.60000106.9
188A47.2Very low48.2Very low98 Ų98146.5 Ų146.581%0.8184%0.843SS**  trans-64.3165173.600000111.7
189S45.7Very low48.1Very low100 Ų100148.4 Ų148.470%0.69985%0.848SS**  trans-28.6150.5169-540000116.7
190N42.1Very low47.4Very low170 Ų170147.2 Ų147.291%0.90985%0.846SS**  -141.5130.1126.9-101.2-8.6000109.8
191D45.1Very low47.2Very low142 Ų142149.1 Ų149.176%0.75985%0.85SS**  trans-68169168.1-70.7-59.4000112.2
192I47.2Very low46.8Very low244 Ų244156 Ų156100%1.25186%0.859SS**  trans93.80167.5-48.9168.6000115.2

Retrieved 192 of 192 residues in 857.9 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).