A0A087Y853_POEFO Loading...

[histone H3]-lysine(4) N-trimethyltransferase

Protein-lysine N-methyltransferase that methylates both histones and non-histone proteins, including p53/TP53 and RB1. Specifically trimethylates histone H3 'Lys-4' (H3K4me3) in vivo. The activity requires interaction with HSP90alpha. Shows even higher methyltransferase activity on p53/TP53. Monomethylates 'Lys-370' of p53/TP53, leading to decreased DNA-binding activity and subsequent transcriptional regulation activity of p53/TP53. Monomethylates RB1 at 'Lys-860'.

AlphaFold DB , UniProt , Accession A0A087Y853, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 435 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M44.3Very low79.8Confident217 Ų21798 Ų98100%1.06948%0.483SS*.  0135.10-76.1159.168.300107.7N3M1-N3 PolarHBondContact O-N 2.95Å
2K40.8Very low81.3Confident194 Ų19492.2 Ų92.284%0.84345%0.453SS*.  trans-61.4128168-78.6178.9175.6178.50106.4E4K2-E4 PolarHBondContact O-N 2.86Å
3N53.6Low82.6Confident112 Ų11295.7 Ų95.760%0.59947%0.474SS*.  trans-65.283.7176-97.7-24.7000108.3M1 G5 R122M1-N3 PolarHBondContact O-N 2.95Å; N3-G5 PolarHBondContact O-N 2.98Å; N3-R122 VanDerWaalsContact CG-NH1 3.27Å; N3-R122 PolarHBondContact ND2-NH1 3.34Å; N3-R122 WeakPolarHBondContact OD1-CD 3.25Å; N3-R122 PolarHBondContact OD1-NH1 2.98Å
4E67.8Low83.7Confident156 Ų15689.4 Ų89.473%0.72944%0.443SS*.  trans-74.8116.9161.9-67.6171.4-167.900104.4K2K2-E4 PolarHBondContact O-N 2.86Å
5G87.4Confident84.5Confident38 Ų3889.9 Ų89.939%0.39246%0.456SS..  trans-61.1-157.9175.700000111.3N3N3-G5 PolarHBondContact O-N 2.98Å
6I95.7Very high85Confident8 Ų894.9 Ų94.94%0.04148%0.484CS..  trans-91117.8171.8-61.5-179.9000107.4G8 T9 F34 R127 L128 D202I6-G8 PolarHBondContact O-N 3.07Å; I6-T9 VanDerWaalsContact CB-OG1 3.25Å; I6-T9 WeakPolarHBondContact CB-OG1 3.36Å; I6-T9 HydrophobicContact CG2-CG2 4.36Å; I6-T9 VanDerWaalsContact CG2-OG1 3.28Å; I6-T9 WeakPolarHBondContact CG2-OG1 3.35Å; I6-T9 PolarHBondContact O-N 3.07Å; I6-T9 VanDerWaalsContact O-N 3.1Å; I6-T9 PolarHBondContact O-OG1 2.81Å; I6-F34 HydrophobicContact CD1-CB 4.42Å; I6-F34 HydrophobicContact CD1-CD1 4.38Å; I6-F34 HydrophobicContact CD1-CD2 3.75Å; I6-F34 HydrophobicContact CD1-CE2 3.99Å; I6-F34 HydrophobicContact CD1-CG 3.95Å; I6-F34 HydrophobicContact CD1-CZ 4.41Å; I6-F34 HydrophobicContact CG2-CB 3.51Å; I6-F34 HydrophobicContact CG2-CD1 4.26Å; I6-F34 HydrophobicContact CG2-CG 3.96Å; I6-R127 HydrophobicContact CG1-CB 4.24Å; I6-L128 HydrophobicContact CB-CD1 4.04Å; I6-L128 HydrophobicContact CD1-CD1 3.75Å; I6-L128 HydrophobicContact CD1-CG 4.09Å; I6-L128 HydrophobicContact CG1-CD1 3.89Å; I6-L128 HydrophobicContact CG1-CG 4Å; I6-D202 HydrophobicContact CD1-CB 3.88Å
7E95.8Very high85.7Confident175 Ų17595.7 Ų95.782%0.81848%0.48SS*.THydrogen-bonded Turntrans-57131.8179.8-174-179.9179.900110.8T9E7-T9 VanDerWaalsContact C-N 3.28Å; E7-T9 PolarHBondContact O-N 2.78Å
8G97.3Very high86.3Confident9 Ų992.9 Ų92.99%0.09348%0.48CS..THydrogen-bonded Turntrans82-1.6-179.700000115.1I6 V24 F27I6-G8 PolarHBondContact O-N 3.07Å; G8-V24 WeakPolarHBondContact O-CG2 3.45Å; G8-V24 PolarHBondContact O-N 3.3Å; G8-F27 WeakPolarHBondContact O-CE2 3.3Å
9T98.4Very high87Confident11 Ų1191.3 Ų91.37%0.06747%0.467CS..EExtended strand (participates in β ladder)trans-133.9165.5173.271.50000112.7I6 E7 L21 R22 F27 V33 I237I6-T9 VanDerWaalsContact CB-OG1 3.25Å; I6-T9 WeakPolarHBondContact CB-OG1 3.36Å; I6-T9 HydrophobicContact CG2-CG2 4.36Å; I6-T9 VanDerWaalsContact CG2-OG1 3.28Å; I6-T9 WeakPolarHBondContact CG2-OG1 3.35Å; I6-T9 PolarHBondContact O-N 3.07Å; I6-T9 VanDerWaalsContact O-N 3.1Å; I6-T9 PolarHBondContact O-OG1 2.81Å; E7-T9 VanDerWaalsContact C-N 3.28Å; E7-T9 PolarHBondContact O-N 2.78Å; T9-L21 HydrophobicContact CG2-CD2 4.47Å; T9-R22 CarbonylContact C-O 3.5Å; T9-R22 VanDerWaalsContact CA-O 3.22Å; T9-R22 WeakPolarHBondContact CA-O 3.39Å; T9-R22 WeakPolarHBondContact CB-O 3.41Å; T9-F27 HydrophobicContact CG2-CE2 4.21Å; T9-F27 HydrophobicContact CG2-CZ 3.96Å; T9-V33 HydrophobicContact CG2-CG1 3.64Å; T9-I237 HydrophobicContact CG2-CD1 3.8Å
10E98Very high87.6Confident72 Ų7286.8 Ų86.834%0.33644%0.443SS..EExtended strand (participates in β ladder)trans-144.9149.2172.768.3-176.3170.200111.9R22 V24E10-R22 HydrophobicContact CG-CB 4.19Å; E10-R22 PolarHBondContact N-O 2.87Å; E10-R22 PolarHBondContact O-N 3.12Å; E10-R22 IonicContact OE1-CZ 3.91Å; E10-R22 IonicContact OE1-NE 3.31Å; E10-R22 PolarHBondContact OE1-NE 2.9Å; E10-R22 IonicContact OE1-NH2 3.84Å; E10-R22 PolarHBondContact OE1-NH2 3.17Å; E10-V24 HydrophobicContact CB-CG1 3.91Å; E10-V24 VanDerWaalsContact CD-CG1 3.45Å; E10-V24 HydrophobicContact CG-CG1 3.56Å
11R98.2Very high88.1Confident86 Ų8682.6 Ų82.633%0.32542%0.422SS..EExtended strand (participates in β ladder)trans-73.1132.7165.9173.8172.9167.2-179.2-4.2108.8R19 G20 L128 E133 L205R11-R19 VanDerWaalsContact NH2-CD 3.31Å; R11-G20 WeakPolarHBondContact CA-O 3.25Å; R11-L128 HydrophobicContact CB-CB 4.48Å; R11-L128 WeakPolarHBondContact CD-O 3.28Å; R11-L128 PolarHBondContact NH1-O 3.27Å; R11-L128 VanDerWaalsContact NH1-O 3.13Å; R11-E133 IonicContact CZ-OE1 2.66Å; R11-E133 VanDerWaalsContact CZ-OE1 3.31Å; R11-E133 VanDerWaalsContact NH1-CD 3.34Å; R11-E133 IonicContact NH1-OE1 2.71Å; R11-E133 PolarHBondContact NH1-OE1 3.23Å; R11-E133 IonicContact NH1-OE2 2.83Å; R11-E133 PolarHBondContact NH1-OE2 2.87Å; R11-E133 VanDerWaalsContact NH1-OE2 3.15Å; R11-E133 IonicContact NH2-OE1 3.2Å; R11-E133 PolarHBondContact NH2-OE1 3.46Å; R11-L205 HydrophobicContact CB-CD2 3.89Å; R11-L205 HydrophobicContact CG-CD1 4.27Å; R11-L205 HydrophobicContact CG-CD2 4.08Å
12F98.3Very high90.7Very high28 Ų2876 Ų7612%0.12339%0.385CS..EExtended strand (participates in β ladder)trans-140172.1175.683.1-64.7000111.5R19 G20 R22 E236F12-R19 WeakPolarHBondContact O-CA 3.41Å; F12-G20 VanDerWaalsContact CD1-C 3.48Å; F12-G20 VanDerWaalsContact CD1-O 3.31Å; F12-G20 WeakPolarHBondContact CD1-O 3.32Å; F12-G20 PolarHBondContact N-O 2.71Å; F12-G20 PolarHBondContact O-N 3.41Å; F12-R22 HydrophobicContact CD1-CB 3.49Å; F12-R22 VanDerWaalsContact CD1-CB 3.49Å; F12-R22 HydrophobicContact CE1-CB 3.74Å; F12-R22 HydrophobicContact CG-CB 4.02Å; F12-R22 HydrophobicContact CZ-CB 4.42Å; F12-E236 HydrophobicContact CE1-CB 4.24Å; F12-E236 HydrophobicContact CE1-CG 3.84Å; F12-E236 HydrophobicContact CZ-CB 3.91Å; F12-E236 HydrophobicContact CZ-CG 3.79Å
13L98.4Very high93.4Very high138 Ų13866.8 Ų66.872%0.72335%0.346SS*.EExtended strand (participates in β ladder)trans-91.8110.3170.2-65.7177.3000108.8G18 R19L13-G18 CarbonylContact C-O 3.58Å; L13-G18 VanDerWaalsContact CA-O 3.31Å; L13-G18 WeakPolarHBondContact CA-O 3.47Å; L13-R19 HydrophobicContact CD2-CG 4.21Å
14S98Very high95.6Very high7 Ų764.8 Ų64.85%0.04934%0.337CS..EExtended strand (participates in β ladder)trans-81.4124.5175.8-177.40000109.3D16 R17 G18 E236S14-D16 PolarHBondContact O-N 2.99Å; S14-R17 PolarHBondContact O-N 3.14Å; S14-R17 VanDerWaalsContact O-N 3.11Å; S14-G18 PolarHBondContact N-O 2.68Å; S14-G18 PolarHBondContact O-N 2.91Å; S14-E236 WeakPolarHBondContact CB-OE1 3.47Å; S14-E236 PolarHBondContact OG-OE1 3.08Å; S14-E236 PolarHBondContact OG-OE2 3.18Å
15P95.4Very high97Very high98 Ų9861.6 Ų61.664%0.63632%0.318SS*.THydrogen-bonded Turntrans-51.8126.4177.6-26.334.8000111.3R17P15-R17 PolarHBondContact O-N 3.39Å
16D92.6Very high97.6Very high170 Ų17063.7 Ų63.791%0.90932%0.318SS*.THydrogen-bonded Turntrans61.87.5179.1-49.5-47.7000116.3S14S14-D16 PolarHBondContact O-N 2.99Å
17R96.8Very high97.7Very high108 Ų10863.3 Ų63.341%0.40832%0.316SS..THydrogen-bonded Turntrans-126.27.1178.6-53.9176.9-157.5-174.69.1113.3S14 P15 R19S14-R17 PolarHBondContact O-N 3.14Å; S14-R17 VanDerWaalsContact O-N 3.11Å; P15-R17 PolarHBondContact O-N 3.39Å; R17-R19 PolarHBondContact O-N 2.76Å
18G97.5Very high97.9Very high46 Ų4656.6 Ų56.647%0.47429%0.291SS..EExtended strand (participates in β ladder)trans74.4-117.4178.800000111.7L13 S14L13-G18 CarbonylContact C-O 3.58Å; L13-G18 VanDerWaalsContact CA-O 3.31Å; L13-G18 WeakPolarHBondContact CA-O 3.47Å; S14-G18 PolarHBondContact N-O 2.68Å; S14-G18 PolarHBondContact O-N 2.91Å
19R98.4Very high97.9Very high62 Ų6258.7 Ų58.723%0.23430%0.301CS..EExtended strand (participates in β ladder)trans-93.7149179.4-65.1162.7-68.7-174-1.1109.2R11 F12 L13 R17 E133 L205 N207R11-R19 VanDerWaalsContact NH2-CD 3.31Å; F12-R19 WeakPolarHBondContact O-CA 3.41Å; L13-R19 HydrophobicContact CD2-CG 4.21Å; R17-R19 PolarHBondContact O-N 2.76Å; R19-E133 PolarHBondContact NH1-O 3.03Å; R19-E133 PolarHBondContact NH2-O 2.58Å; R19-L205 HydrophobicContact CB-CD1 3.8Å; R19-N207 PolarHBondContact O-ND2 3.42Å
20G98.6Very high97.9Very high0 Ų059.2 Ų59.20%031%0.309CS..EExtended strand (participates in β ladder)trans-147.7175.4175.300000112R11 F12 L205R11-G20 WeakPolarHBondContact CA-O 3.25Å; F12-G20 VanDerWaalsContact CD1-C 3.48Å; F12-G20 VanDerWaalsContact CD1-O 3.31Å; F12-G20 WeakPolarHBondContact CD1-O 3.32Å; F12-G20 PolarHBondContact N-O 2.71Å; F12-G20 PolarHBondContact O-N 3.41Å; G20-L205 WeakPolarHBondContact CA-O 3.43Å
21L98.8Very high98Very high0 Ų058.7 Ų58.70%031%0.307CS..EExtended strand (participates in β ladder)trans-108.7128.8173-170.870.3000109.5T9 F34 L128 L205 M206 I237T9-L21 HydrophobicContact CG2-CD2 4.47Å; L21-F34 HydrophobicContact CD2-CD1 4.44Å; L21-F34 HydrophobicContact CD2-CE1 3.63Å; L21-F34 HydrophobicContact CD2-CZ 4.28Å; L21-L128 HydrophobicContact CD1-CD1 3.45Å; L21-L128 VanDerWaalsContact CD1-CD1 3.45Å; L21-L205 HydrophobicContact CB-CG 4.37Å; L21-L205 HydrophobicContact CD1-CD2 4.07Å; L21-M206 HydrophobicContact CB-CG 4.05Å; L21-M206 HydrophobicContact CD2-CG 3.67Å; L21-M206 HydrophobicContact CD2-SD 4.09Å; L21-I237 HydrophobicContact CB-CB 4.39Å; L21-I237 HydrophobicContact CD2-CB 4.26Å; L21-I237 HydrophobicContact CD2-CD1 3.94Å; L21-I237 HydrophobicContact CD2-CG2 4.37Å; L21-I237 HydrophobicContact CG-CB 4.44Å; L21-I237 HydrophobicContact CG-CD1 4.13Å; L21-I237 PolarHBondContact O-N 2.79Å
22R98.6Very high98Very high78 Ų7858 Ų5829%0.29431%0.309SS..EExtended strand (participates in β ladder)trans-120.1142.3179.8-179.6165.569.7-166.41.9110.9T9 E10 F12 G234 E235T9-R22 CarbonylContact C-O 3.5Å; T9-R22 VanDerWaalsContact CA-O 3.22Å; T9-R22 WeakPolarHBondContact CA-O 3.39Å; T9-R22 WeakPolarHBondContact CB-O 3.41Å; E10-R22 HydrophobicContact CG-CB 4.19Å; E10-R22 PolarHBondContact N-O 2.87Å; E10-R22 PolarHBondContact O-N 3.12Å; E10-R22 IonicContact OE1-CZ 3.91Å; E10-R22 IonicContact OE1-NE 3.31Å; E10-R22 PolarHBondContact OE1-NE 2.9Å; E10-R22 IonicContact OE1-NH2 3.84Å; E10-R22 PolarHBondContact OE1-NH2 3.17Å; F12-R22 HydrophobicContact CD1-CB 3.49Å; F12-R22 VanDerWaalsContact CD1-CB 3.49Å; F12-R22 HydrophobicContact CE1-CB 3.74Å; F12-R22 HydrophobicContact CG-CB 4.02Å; F12-R22 HydrophobicContact CZ-CB 4.42Å; R22-G234 VanDerWaalsContact CD-O 3.3Å; R22-G234 WeakPolarHBondContact CD-O 3.48Å; R22-E235 WeakPolarHBondContact CA-O 3.41Å; R22-E235 WeakPolarHBondContact CG-O 3.17Å
23A98.8Very high98Very high1 Ų157 Ų571%0.00831%0.305CS..EExtended strand (participates in β ladder)trans-74.3132.1172.300000110.5F27 I231 G234 E235 I237A23-F27 HydrophobicContact CB-CD2 4.11Å; A23-F27 HydrophobicContact CB-CE2 3.94Å; A23-I231 HydrophobicContact CB-CG2 3.69Å; A23-G234 PolarHBondContact O-N 3.09Å; A23-E235 PolarHBondContact N-O 2.89Å; A23-I237 HydrophobicContact CB-CD1 4.31Å; A23-I237 HydrophobicContact CB-CG1 4.44Å
24V98.3Very high98Very high70 Ų7050.9 Ų50.942%0.42427%0.273SS..SBendtrans-104.7-3.1171.1-570000112.7G8 E10G8-V24 WeakPolarHBondContact O-CG2 3.45Å; G8-V24 PolarHBondContact O-N 3.3Å; E10-V24 HydrophobicContact CB-CG1 3.91Å; E10-V24 VanDerWaalsContact CD-CG1 3.45Å; E10-V24 HydrophobicContact CG-CG1 3.56Å
25R98.3Very high98.1Very high88 Ų8852.1 Ų52.133%0.33228%0.283SS..SBendtrans-139.4170.7172.169.9178.6-17582.8-11.3109.7F27 E31R25-F27 HydrophobicContact CG-CE2 3.97Å; R25-F27 HydrophobicContact CG-CZ 3.96Å; R25-E31 IonicContact CZ-OE1 2.98Å; R25-E31 IonicContact NH1-OE1 3.05Å; R25-E31 PolarHBondContact NH1-OE1 2.93Å; R25-E31 IonicContact NH1-OE2 2.96Å; R25-E31 IonicContact NH2-OE1 3.91Å; R25-E31 PolarHBondContact NH2-OE1 2.88Å
26H98.7Very high98.2Very high82 Ų8247.4 Ų47.438%0.3825%0.253SS..  trans-71.5141.7172179-85.3000111.5E230 I231H26-E230 IonicContact CE1-OE2 2.95Å; H26-E230 PolarHBondContact CE1-OE2 3.25Å; H26-E230 IonicContact NE2-OE2 2.91Å; H26-E230 PolarHBondContact NE2-OE2 2.87Å; H26-I231 CarbonylContact C-O 3.49Å; H26-I231 VanDerWaalsContact CA-O 3.25Å; H26-I231 WeakPolarHBondContact CA-O 3.3Å
27F98.9Very high98.5Very high0 Ų041.7 Ų41.70%023%0.225CC..BIsolated β-bridgetrans-125.9128.2167.3-62.3-90.4000110.1G8 T9 A23 R25 E31 V33 A227 I231G8-F27 WeakPolarHBondContact O-CE2 3.3Å; T9-F27 HydrophobicContact CG2-CE2 4.21Å; T9-F27 HydrophobicContact CG2-CZ 3.96Å; A23-F27 HydrophobicContact CB-CD2 4.11Å; A23-F27 HydrophobicContact CB-CE2 3.94Å; R25-F27 HydrophobicContact CG-CE2 3.97Å; R25-F27 HydrophobicContact CG-CZ 3.96Å; F27-E31 WeakPolarHBondContact CA-OE2 3.48Å; F27-E31 HydrophobicContact CD1-CG 4.34Å; F27-V33 HydrophobicContact CD1-CB 4.41Å; F27-V33 HydrophobicContact CD1-CG1 4.42Å; F27-V33 HydrophobicContact CD1-CG2 4.1Å; F27-V33 HydrophobicContact CE1-CB 4.17Å; F27-V33 HydrophobicContact CE1-CG1 3.88Å; F27-V33 HydrophobicContact CE1-CG2 4.35Å; F27-V33 HydrophobicContact CE2-CG1 4.22Å; F27-V33 HydrophobicContact CG-CG2 4.34Å; F27-V33 HydrophobicContact CZ-CG1 3.78Å; F27-A227 HydrophobicContact CB-CB 4.29Å; F27-I231 HydrophobicContact CB-CB 4.25Å; F27-I231 HydrophobicContact CD2-CB 4.44Å; F27-I231 PolarHBondContact N-O 2.9Å; F27-I231 PolarHBondContact O-N 3.38Å
28A98.8Very high98.6Very high35 Ų3536.9 Ų36.929%0.28921%0.209SC..  trans-84.1159.617700000112.1G30 E31 A227A28-G30 PolarHBondContact O-N 2.66Å; A28-E31 PolarHBondContact N-OE2 3.44Å; A28-E31 WeakPolarHBondContact O-CB 3.5Å; A28-E31 PolarHBondContact O-N 2.83Å; A28-A227 WeakPolarHBondContact O-CB 3.37Å
29V98.8Very high98.6Very high52 Ų5235.1 Ų35.132%0.31519%0.188SC..THydrogen-bonded Turntrans-54.6127.5174.5175.80000111.5E31 E230 Y378 V415V29-E31 VanDerWaalsContact C-N 3.31Å; V29-E230 HydrophobicContact CG2-CG 4.42Å; V29-E230 PolarHBondContact N-OE1 3.44Å; V29-E230 VanDerWaalsContact N-OE1 3.07Å; V29-Y378 HydrophobicContact CG1-CD2 4.46Å; V29-Y378 HydrophobicContact CG1-CE2 3.67Å; V29-V415 HydrophobicContact CG1-CG1 3.74Å
30G98.6Very high98.6Very high23 Ų2332.5 Ų32.524%0.23718%0.179CC..THydrogen-bonded Turntrans84.4-2.9-177.800000114.6A28 A227A28-G30 PolarHBondContact O-N 2.66Å; G30-A227 WeakPolarHBondContact CA-O 3.37Å; G30-A227 PolarHBondContact N-O 3.42Å
31E98.7Very high98.6Very high61 Ų6134.1 Ų34.129%0.28519%0.185SC..  trans-70.7137.6176.3-166.1179.5155.200111.1R25 F27 A28 V29 V33 R226 A227R25-E31 IonicContact CZ-OE1 2.98Å; R25-E31 IonicContact NH1-OE1 3.05Å; R25-E31 PolarHBondContact NH1-OE1 2.93Å; R25-E31 IonicContact NH1-OE2 2.96Å; R25-E31 IonicContact NH2-OE1 3.91Å; R25-E31 PolarHBondContact NH2-OE1 2.88Å; F27-E31 WeakPolarHBondContact CA-OE2 3.48Å; F27-E31 HydrophobicContact CD1-CG 4.34Å; A28-E31 PolarHBondContact N-OE2 3.44Å; A28-E31 WeakPolarHBondContact O-CB 3.5Å; A28-E31 PolarHBondContact O-N 2.83Å; V29-E31 VanDerWaalsContact C-N 3.31Å; E31-V33 PolarHBondContact O-N 2.84Å; E31-R226 VanDerWaalsContact O-CA 3.31Å; E31-R226 WeakPolarHBondContact O-CA 3.43Å; E31-A227 PolarHBondContact O-N 3.12Å
32L98.8Very high98.6Very high70 Ų7034.1 Ų34.137%0.36619%0.185SC..EExtended strand (participates in β ladder)trans-71.8114.4171.7-177.969.6000109.4F34 E224 R226L32-F34 WeakPolarHBondContact CD1-O 3.48Å; L32-E224 HydrophobicContact CD1-CB 3.88Å; L32-E224 HydrophobicContact CD1-CG 4.34Å; L32-R226 HydrophobicContact CB-CG 4.5Å; L32-R226 HydrophobicContact CD1-CG 4.13Å
33V98.8Very high98.6Very high8 Ų830.4 Ų30.45%0.04817%0.171CC..EExtended strand (participates in β ladder)trans-72.3-55.6173.8-173.10000108.9T9 F27 E31 V214 V225 A227 I237T9-V33 HydrophobicContact CG2-CG1 3.64Å; F27-V33 HydrophobicContact CD1-CB 4.41Å; F27-V33 HydrophobicContact CD1-CG1 4.42Å; F27-V33 HydrophobicContact CD1-CG2 4.1Å; F27-V33 HydrophobicContact CE1-CB 4.17Å; F27-V33 HydrophobicContact CE1-CG1 3.88Å; F27-V33 HydrophobicContact CE1-CG2 4.35Å; F27-V33 HydrophobicContact CE2-CG1 4.22Å; F27-V33 HydrophobicContact CG-CG2 4.34Å; F27-V33 HydrophobicContact CZ-CG1 3.78Å; E31-V33 PolarHBondContact O-N 2.84Å; V33-V214 HydrophobicContact CG2-CG1 4Å; V33-V225 HydrophobicContact CB-CB 4.44Å; V33-V225 HydrophobicContact CB-CG1 4.27Å; V33-V225 HydrophobicContact CG2-CG1 4.41Å; V33-V225 PolarHBondContact N-O 2.91Å; V33-A227 HydrophobicContact CG2-CB 4.49Å; V33-I237 HydrophobicContact CG1-CD1 3.87Å
34F98.8Very high98.5Very high9 Ų931 Ų314%0.03917%0.174CC..EExtended strand (participates in β ladder)trans-162.1163.4172.267.2-80.8000111.9I6 L21 L32 C36 D202 V203 M206 V225I6-F34 HydrophobicContact CD1-CB 4.42Å; I6-F34 HydrophobicContact CD1-CD1 4.38Å; I6-F34 HydrophobicContact CD1-CD2 3.75Å; I6-F34 HydrophobicContact CD1-CE2 3.99Å; I6-F34 HydrophobicContact CD1-CG 3.95Å; I6-F34 HydrophobicContact CD1-CZ 4.41Å; I6-F34 HydrophobicContact CG2-CB 3.51Å; I6-F34 HydrophobicContact CG2-CD1 4.26Å; I6-F34 HydrophobicContact CG2-CG 3.96Å; L21-F34 HydrophobicContact CD2-CD1 4.44Å; L21-F34 HydrophobicContact CD2-CE1 3.63Å; L21-F34 HydrophobicContact CD2-CZ 4.28Å; L32-F34 WeakPolarHBondContact CD1-O 3.48Å; F34-C36 HydrophobicContact CD2-CB 4.27Å; F34-C36 HydrophobicContact CE2-CB 4.06Å; F34-D202 HydrophobicContact CE2-CB 3.95Å; F34-V203 HydrophobicContact CE2-CG2 3.84Å; F34-V203 HydrophobicContact CZ-CG2 4.15Å; F34-M206 HydrophobicContact CE1-SD 4.13Å; F34-M206 HydrophobicContact CZ-SD 4.35Å; F34-V225 HydrophobicContact CD1-CB 4.08Å; F34-V225 HydrophobicContact CD1-CG2 4.17Å; F34-V225 HydrophobicContact CD2-CG2 4.45Å; F34-V225 HydrophobicContact CE1-CB 3.91Å; F34-V225 HydrophobicContact CE1-CG1 4.14Å; F34-V225 HydrophobicContact CE1-CG2 3.67Å; F34-V225 HydrophobicContact CE2-CG2 4.01Å; F34-V225 HydrophobicContact CZ-CB 4.36Å; F34-V225 HydrophobicContact CZ-CG2 3.6Å; F34-V225 PolarHBondContact O-N 3.27Å
35A98.6Very high98.5Very high33 Ų3331 Ų3127%0.27318%0.175SC..EExtended strand (participates in β ladder)trans-111.1147.6166.300000110.2R127 V222 A223 E224A35-R127 PolarHBondContact O-NH2 2.94Å; A35-V222 HydrophobicContact CB-CG1 4.02Å; A35-A223 CarbonylContact C-O 3.32Å; A35-A223 VanDerWaalsContact CA-O 3.28Å; A35-A223 WeakPolarHBondContact CA-O 3.26Å; A35-E224 HydrophobicContact CB-CG 4.25Å
36C98.6Very high98.3Very high0 Ų033.8 Ų33.80%020%0.196CC..EExtended strand (participates in β ladder)trans-134.8114.2179.5-173.90000109.9F34 F200 V203 A223F34-C36 HydrophobicContact CD2-CB 4.27Å; F34-C36 HydrophobicContact CE2-CB 4.06Å; C36-F200 WeakPolarHBondContact O-CD1 3.22Å; C36-V203 HydrophobicContact CB-CG2 3.61Å; C36-A223 PolarHBondContact N-O 3.41Å; C36-A223 PolarHBondContact O-N 2.81Å
37P98.4Very high98.2Very high49 Ų4932 Ų3232%0.31819%0.188SC..EExtended strand (participates in β ladder)trans-66.2145.3171.927.8-31.5000109.9Y39 P124 S125P37-Y39 PolarHBondContact O-N 3.12Å; P37-P124 HydrophobicContact CG-CB 4.17Å; P37-S125 WeakPolarHBondContact O-CB 3.31Å; P37-S125 PolarHBondContact O-OG 2.85Å
38A98.5Very high98.1Very high8 Ų833.6 Ų33.67%0.06619%0.194CC..  trans-57.8129.9176.100000111.2Y41 A198 F200 T221A38-Y41 HydrophobicContact CB-CD1 3.57Å; A38-Y41 HydrophobicContact CB-CE1 4.42Å; A38-Y41 HydrophobicContact CB-CG 4.19Å; A38-A198 HydrophobicContact CB-CB 4.32Å; A38-F200 HydrophobicContact CB-CD1 4.12Å; A38-F200 HydrophobicContact CB-CE1 3.5Å; A38-F200 HydrophobicContact CB-CZ 3.91Å; A38-T221 VanDerWaalsContact CB-O 3.26Å; A38-T221 WeakPolarHBondContact CB-O 3.21Å; A38-T221 PolarHBondContact N-O 2.92Å
39Y98.1Very high98Very high9 Ų933.2 Ų33.24%0.03519%0.194CC..SBendtrans-65.6-46.7170.8174.5-81.7000109.4P37 I112 K115 Q116 T123 S125 E126 L131 V199 P201P37-Y39 PolarHBondContact O-N 3.12Å; Y39-I112 HydrophobicContact CD1-CG1 4.48Å; Y39-I112 HydrophobicContact CE1-CG1 4.41Å; Y39-I112 HydrophobicContact CE1-CG2 4.14Å; Y39-K115 HydrophobicContact CE1-CB 4.16Å; Y39-K115 HydrophobicContact CE1-CG 3.91Å; Y39-K115 HydrophobicContact CE2-CG 4.47Å; Y39-K115 VanDerWaalsContact O-CD 3.23Å; Y39-K115 WeakPolarHBondContact O-CD 3.49Å; Y39-K115 WeakPolarHBondContact O-CE 3.4Å; Y39-K115 PolarHBondContact O-NZ 2.87Å; Y39-Q116 WeakPolarHBondContact OH-CG 3.39Å; Y39-T123 HydrophobicContact CD2-CG2 4.01Å; Y39-T123 WeakPolarHBondContact CD2-OG1 3.17Å; Y39-T123 HydrophobicContact CE2-CG2 3.8Å; Y39-S125 PolarHBondContact N-OG 3.26Å; Y39-E126 HydrophobicContact CD2-CG 4.1Å; Y39-L131 HydrophobicContact CD1-CD1 3.54Å; Y39-L131 HydrophobicContact CE1-CD1 3.47Å; Y39-L131 VanDerWaalsContact CE1-CD1 3.47Å; Y39-L131 HydrophobicContact CG-CD1 4.18Å; Y39-V199 WeakPolarHBondContact CB-O 3.32Å; Y39-V199 HydrophobicContact CD1-CG2 3.85Å; Y39-V199 HydrophobicContact CG-CG2 4.37Å; Y39-V199 PolarHBondContact N-O 2.81Å; Y39-P201 HydrophobicContact CD2-CG 4.44Å; Y39-P201 HydrophobicContact CG-CG 4.34Å
40S98.1Very high98Very high6 Ų632.6 Ų32.64%0.04219%0.194CC..EExtended strand (participates in β ladder)trans-148.1152171.9-170.60000108.6R111 A198 V199S40-R111 VanDerWaalsContact OG-CB 3.23Å; S40-R111 WeakPolarHBondContact OG-CB 3.39Å; S40-A198 CarbonylContact O-C 3.59Å; S40-A198 VanDerWaalsContact O-CA 3.25Å; S40-A198 WeakPolarHBondContact O-CA 3.43Å; S40-A198 WeakPolarHBondContact O-CB 3.41Å; S40-V199 PolarHBondContact O-N 3.27Å
41Y98.6Very high98Very high34 Ų3431.7 Ų31.713%0.13318%0.184CC..EExtended strand (participates in β ladder)trans-156.6158.4-178.159.3-85.5000111.3A38 H54 F56 R111 S197 T221A38-Y41 HydrophobicContact CB-CD1 3.57Å; A38-Y41 HydrophobicContact CB-CE1 4.42Å; A38-Y41 HydrophobicContact CB-CG 4.19Å; Y41-H54 VanDerWaalsContact CE2-O 3.28Å; Y41-H54 WeakPolarHBondContact CE2-O 3.49Å; Y41-H54 VanDerWaalsContact CZ-O 3.26Å; Y41-H54 PolarHBondContact OH-ND1 3.47Å; Y41-H54 PolarHBondContact OH-O 3.41Å; Y41-F56 HydrophobicContact CD2-CD1 4.41Å; Y41-F56 AromaticContact CD2-CE1 3.68Å; Y41-F56 HydrophobicContact CD2-CE1 3.68Å; Y41-F56 HydrophobicContact CD2-CZ 4.02Å; Y41-F56 HydrophobicContact CE2-CD1 4.49Å; Y41-F56 HydrophobicContact CE2-CE1 4.08Å; Y41-R111 WeakPolarHBondContact O-CD 3.48Å; Y41-R111 PolarHBondContact O-NH1 3.35Å; Y41-S197 CarbonylContact C-O 3.54Å; Y41-S197 VanDerWaalsContact CA-O 3.26Å; Y41-S197 WeakPolarHBondContact CA-O 3.18Å; Y41-T221 HydrophobicContact CD1-CG2 4.32Å; Y41-T221 HydrophobicContact CD2-CG2 3.69Å; Y41-T221 HydrophobicContact CE1-CG2 4.22Å; Y41-T221 HydrophobicContact CE2-CG2 3.57Å; Y41-T221 HydrophobicContact CG-CG2 4.06Å
42V98.5Very high98Very high0 Ų028.8 Ų28.80%017%0.17CC..EExtended strand (participates in β ladder)trans-143.5130.8177.864.40000110.2E104 R107 L108 G196 S197V42-E104 HydrophobicContact CG1-CG 3.69Å; V42-R107 HydrophobicContact CG2-CB 3.92Å; V42-L108 HydrophobicContact CG1-CB 4.04Å; V42-G196 CarbonylContact O-C 3.51Å; V42-G196 VanDerWaalsContact O-CA 3.23Å; V42-G196 WeakPolarHBondContact O-CA 3.5Å; V42-S197 PolarHBondContact N-O 3.04Å; V42-S197 PolarHBondContact O-N 3.39Å
43L98.6Very high97.9Very high0 Ų025.5 Ų25.50%015%0.153CC..EExtended strand (participates in β ladder)trans-73.3136.7172.1-170.974.7000109.3E47 R48 H51 E53 F56 R107 L195L43-E47 HydrophobicContact CD1-CB 4.13Å; L43-E47 HydrophobicContact CD2-CB 4.44Å; L43-E47 HydrophobicContact CG-CB 4.2Å; L43-R48 HydrophobicContact CD2-CG 4.25Å; L43-H51 HydrophobicContact CD1-CB 3.81Å; L43-H51 HydrophobicContact CD2-CB 4.04Å; L43-E53 WeakPolarHBondContact CB-OE2 3Å; L43-E53 HydrophobicContact CD2-CG 4.35Å; L43-F56 HydrophobicContact CB-CE1 3.69Å; L43-F56 HydrophobicContact CB-CZ 3.9Å; L43-F56 HydrophobicContact CD1-CD1 3.96Å; L43-F56 HydrophobicContact CD1-CD2 4.21Å; L43-F56 HydrophobicContact CD1-CE1 3.78Å; L43-F56 HydrophobicContact CD1-CE2 4.04Å; L43-F56 HydrophobicContact CD1-CG 4.18Å; L43-F56 HydrophobicContact CD1-CZ 3.84Å; L43-F56 HydrophobicContact CG-CE1 4.35Å; L43-R107 PolarHBondContact O-NH1 3.11Å; L43-R107 PolarHBondContact O-NH2 3.27Å; L43-L195 VanDerWaalsContact CD1-O 3.28Å; L43-L195 WeakPolarHBondContact CD1-O 3.48Å
44T98Very high97.9Very high13 Ų1327.7 Ų27.78%0.0816%0.162CC..  trans-63.9150.3175.6-161.70000111N46 E47 E104 H194 L195T44-N46 HydrophobicContact CG2-CB 4.47Å; T44-N46 PolarHBondContact O-N 2.68Å; T44-E47 HydrophobicContact CG2-CB 3.77Å; T44-E47 HydrophobicContact CG2-CG 3.47Å; T44-E47 VanDerWaalsContact CG2-CG 3.47Å; T44-E47 PolarHBondContact O-N 3.06Å; T44-E104 WeakPolarHBondContact CA-OE2 3.5Å; T44-E104 WeakPolarHBondContact CB-OE2 3.37Å; T44-E104 PolarHBondContact OG1-OE2 3.06Å; T44-H194 WeakPolarHBondContact CG2-O 3.38Å; T44-H194 PolarHBondContact OG1-CD2 3.35Å; T44-L195 WeakPolarHBondContact CG2-O 3.06Å; T44-L195 PolarHBondContact N-O 3.37Å
45V96.4Very high97.8Very high72 Ų7228.9 Ų28.944%0.43617%0.171SC..G310 helixtrans-62.1-36.5-174174.90000111.4E47 R48 W100V45-E47 VanDerWaalsContact C-N 3.25Å; V45-E47 PolarHBondContact O-N 3.43Å; V45-R48 WeakPolarHBondContact O-CB 3.41Å; V45-R48 WeakPolarHBondContact O-CG 3.31Å; V45-R48 PolarHBondContact O-N 3.26Å; V45-W100 HydrophobicContact CG2-CZ3 4.46Å
46N94.8Very high97.8Very high145 Ų14527.7 Ų27.778%0.77516%0.16SC*.G310 helixtrans-69.2-21.5-176.1-64.9-17.9000113.4T44T44-N46 HydrophobicContact CG2-CB 4.47Å; T44-N46 PolarHBondContact O-N 2.68Å
47E97.4Very high97.7Very high46 Ų4630.7 Ų30.722%0.21518%0.179CC..G310 helixtrans-95.70.1-177.9-70-58.4138.300113.5L43 T44 V45 G49 A50 H51 L195L43-E47 HydrophobicContact CD1-CB 4.13Å; L43-E47 HydrophobicContact CD2-CB 4.44Å; L43-E47 HydrophobicContact CG-CB 4.2Å; T44-E47 HydrophobicContact CG2-CB 3.77Å; T44-E47 HydrophobicContact CG2-CG 3.47Å; T44-E47 VanDerWaalsContact CG2-CG 3.47Å; T44-E47 PolarHBondContact O-N 3.06Å; V45-E47 VanDerWaalsContact C-N 3.25Å; V45-E47 PolarHBondContact O-N 3.43Å; E47-G49 PolarHBondContact O-N 3.22Å; E47-A50 PolarHBondContact O-N 3.05Å; E47-A50 VanDerWaalsContact O-N 3.13Å; E47-H51 PolarHBondContact O-N 3.04Å; E47-H51 VanDerWaalsContact O-N 3.17Å; E47-H51 IonicContact OE2-CE1 3.4Å; E47-H51 PolarHBondContact OE2-CE1 2.82Å; E47-H51 IonicContact OE2-ND1 3.86Å; E47-H51 PolarHBondContact OE2-ND1 3.18Å; E47-L195 HydrophobicContact CG-CD2 4.08Å
48R97.1Very high97.6Very high33 Ų3333.1 Ų33.113%0.12518%0.181CC..BIsolated β-bridgetrans-64.5121178-73.8176.3154.5172.10.8110.8L43 V45 E53 Q70 Y72 E89 M93L43-R48 HydrophobicContact CD2-CG 4.25Å; V45-R48 WeakPolarHBondContact O-CB 3.41Å; V45-R48 WeakPolarHBondContact O-CG 3.31Å; V45-R48 PolarHBondContact O-N 3.26Å; R48-E53 WeakPolarHBondContact CG-OE1 3.47Å; R48-E53 IonicContact CZ-OE1 3.48Å; R48-E53 IonicContact NE-OE1 3.5Å; R48-E53 PolarHBondContact NE-OE1 2.91Å; R48-E53 IonicContact NH2-OE1 3.93Å; R48-Q70 VanDerWaalsContact CD-O 3.25Å; R48-Q70 WeakPolarHBondContact CD-O 3.27Å; R48-Q70 PolarHBondContact NE-O 3.11Å; R48-Y72 HydrophobicContact CB-CD2 4.2Å; R48-Y72 HydrophobicContact CB-CE2 4.29Å; R48-E89 IonicContact NH2-OE2 2.8Å; R48-E89 PolarHBondContact NH2-OE2 2.94Å; R48-M93 PolarHBondContact NH1-SD 3.44Å; R48-M93 VanDerWaalsContact NH1-SD 3.4Å
49G96.9Very high97.3Very high27 Ų2737.4 Ų37.428%0.27820%0.196SC..THydrogen-bonded Turntrans100.7-18.4-178.600000113.6E47 Y72E47-G49 PolarHBondContact O-N 3.22Å; G49-Y72 VanDerWaalsContact N-CD2 3.28Å
50A97.3Very high97.1Very high39 Ų3946.7 Ų46.732%0.32224%0.239SC..THydrogen-bonded Turntrans-91.6-3216700000111.8E47 R58 R59E47-A50 PolarHBondContact O-N 3.05Å; E47-A50 VanDerWaalsContact O-N 3.13Å; A50-R58 WeakPolarHBondContact O-CA 3.3Å; A50-R59 PolarHBondContact O-N 3.47Å
51H98.4Very high96.9Very high4 Ų450.9 Ų50.92%0.01926%0.261CS..BIsolated β-bridgetrans-122.9145.7-177.5-64.491000112.3L43 E47 E53 F56 R58 L62L43-H51 HydrophobicContact CD1-CB 3.81Å; L43-H51 HydrophobicContact CD2-CB 4.04Å; E47-H51 PolarHBondContact O-N 3.04Å; E47-H51 VanDerWaalsContact O-N 3.17Å; E47-H51 IonicContact OE2-CE1 3.4Å; E47-H51 PolarHBondContact OE2-CE1 2.82Å; E47-H51 IonicContact OE2-ND1 3.86Å; E47-H51 PolarHBondContact OE2-ND1 3.18Å; H51-E53 PolarHBondContact O-N 3.1Å; H51-F56 PolarHBondContact CD2-O 3.48Å; H51-R58 WeakPolarHBondContact NE2-CB 3.44Å; H51-L62 WeakPolarHBondContact O-CD1 3.22Å
52C98.4Very high96.9Very high0 Ų050.3 Ų50.30%026%0.26CS..  trans-70.1126.4171.4172.80000111H54 C55 F56 T57 L62 Y72 C74C52-H54 PolarHBondContact O-N 3.35Å; C52-H54 VanDerWaalsContact O-N 3.14Å; C52-H54 PolarHBondContact SG-N 2.9Å; C52-C55 PolarHBondContact O-N 3.17Å; C52-F56 VanDerWaalsContact O-CA 3.25Å; C52-F56 WeakPolarHBondContact O-CA 3.45Å; C52-F56 PolarHBondContact O-N 3.3Å; C52-T57 PolarHBondContact N-O 3.42Å; C52-L62 HydrophobicContact CB-CD2 3.98Å; C52-Y72 WeakPolarHBondContact CA-O 3.33Å; C52-C74 WeakPolarHBondContact CB-SG 3.13Å; C52-C74 PolarHBondContact SG-N 3.12Å; C52-C74 VanDerWaalsContact SG-N 3.41Å
53E98.3Very high96.9Very high0 Ų056.4 Ų56.40%029%0.287CS..THydrogen-bonded Turntrans-58.9-29.4-179.9-70.5-91.2-160.900113.2L43 R48 H51 A71 Y72 Y73L43-E53 WeakPolarHBondContact CB-OE2 3Å; L43-E53 HydrophobicContact CD2-CG 4.35Å; R48-E53 WeakPolarHBondContact CG-OE1 3.47Å; R48-E53 IonicContact CZ-OE1 3.48Å; R48-E53 IonicContact NE-OE1 3.5Å; R48-E53 PolarHBondContact NE-OE1 2.91Å; R48-E53 IonicContact NH2-OE1 3.93Å; H51-E53 PolarHBondContact O-N 3.1Å; E53-A71 HydrophobicContact CG-CB 3.94Å; E53-Y72 WeakPolarHBondContact CG-O 3.5Å; E53-Y72 PolarHBondContact N-O 3.26Å; E53-Y73 HydrophobicContact CB-CD1 4.19Å; E53-Y73 HydrophobicContact CB-CE1 3.62Å
54H98.1Very high96.9Very high55 Ų5562 Ų6226%0.25531%0.311SS..THydrogen-bonded Turntrans-82-53.6179.4-170.254.3000114.2Y41 C52 Y73 C78 D82Y41-H54 VanDerWaalsContact CE2-O 3.28Å; Y41-H54 WeakPolarHBondContact CE2-O 3.49Å; Y41-H54 VanDerWaalsContact CZ-O 3.26Å; Y41-H54 PolarHBondContact OH-ND1 3.47Å; Y41-H54 PolarHBondContact OH-O 3.41Å; C52-H54 PolarHBondContact O-N 3.35Å; C52-H54 VanDerWaalsContact O-N 3.14Å; C52-H54 PolarHBondContact SG-N 2.9Å; H54-Y73 HydrophobicContact CB-CD1 4.3Å; H54-Y73 HydrophobicContact CB-CE1 4.48Å; H54-C78 HydrophobicContact CB-CB 3.81Å; H54-C78 WeakPolarHBondContact CB-O 3.19Å; H54-D82 HydrophobicContact CB-CB 3.97Å; H54-D82 PolarHBondContact ND1-N 2.96Å
55C97.5Very high96.9Very high33 Ų3361.5 Ų61.522%0.22331%0.309CS..THydrogen-bonded Turntrans-112.8-0.2-169.363.10000114.4C52 T57 C74 G220C52-C55 PolarHBondContact O-N 3.17Å; C55-T57 PolarHBondContact O-N 3.4Å; C55-T57 VanDerWaalsContact O-N 3.12Å; C55-T57 PolarHBondContact SG-OG1 3.07Å; C55-C74 VanDerWaalsContact SG-SG 3.69Å; C55-G220 WeakPolarHBondContact O-CA 3.37Å
56F98.1Very high96.9Very high8 Ų861.3 Ų61.34%0.03532%0.321CS..  trans59.517.5-178.2-77.227.8000114.2Y41 L43 H51 C52 R58 I187 L195 T221Y41-F56 HydrophobicContact CD2-CD1 4.41Å; Y41-F56 AromaticContact CD2-CE1 3.68Å; Y41-F56 HydrophobicContact CD2-CE1 3.68Å; Y41-F56 HydrophobicContact CD2-CZ 4.02Å; Y41-F56 HydrophobicContact CE2-CD1 4.49Å; Y41-F56 HydrophobicContact CE2-CE1 4.08Å; L43-F56 HydrophobicContact CB-CE1 3.69Å; L43-F56 HydrophobicContact CB-CZ 3.9Å; L43-F56 HydrophobicContact CD1-CD1 3.96Å; L43-F56 HydrophobicContact CD1-CD2 4.21Å; L43-F56 HydrophobicContact CD1-CE1 3.78Å; L43-F56 HydrophobicContact CD1-CE2 4.04Å; L43-F56 HydrophobicContact CD1-CG 4.18Å; L43-F56 HydrophobicContact CD1-CZ 3.84Å; L43-F56 HydrophobicContact CG-CE1 4.35Å; H51-F56 PolarHBondContact CD2-O 3.48Å; C52-F56 VanDerWaalsContact O-CA 3.25Å; C52-F56 WeakPolarHBondContact O-CA 3.45Å; C52-F56 PolarHBondContact O-N 3.3Å; F56-R58 PolarHBondContact O-N 3Å; F56-I187 HydrophobicContact CD2-CD1 4.26Å; F56-I187 HydrophobicContact CD2-CG2 4.09Å; F56-I187 HydrophobicContact CE2-CB 4.29Å; F56-I187 HydrophobicContact CE2-CD1 3.77Å; F56-I187 HydrophobicContact CE2-CG2 4.17Å; F56-L195 HydrophobicContact CD2-CB 4.37Å; F56-L195 HydrophobicContact CE2-CB 4.36Å; F56-T221 HydrophobicContact CB-CG2 4.2Å; F56-T221 HydrophobicContact CD1-CG2 3.8Å; F56-T221 HydrophobicContact CD2-CG2 4.34Å; F56-T221 HydrophobicContact CE1-CG2 4.24Å; F56-T221 HydrophobicContact CG-CG2 3.85Å
57T96.3Very high97Very high64 Ų6460.1 Ų60.139%0.39331%0.309SS..  trans-68.8126.3174.2-53.20000110.2C52 C55 R59C52-T57 PolarHBondContact N-O 3.42Å; C55-T57 PolarHBondContact O-N 3.4Å; C55-T57 VanDerWaalsContact O-N 3.12Å; C55-T57 PolarHBondContact SG-OG1 3.07Å; T57-R59 HydrophobicContact CG2-CG 3.98Å
58R95.8Very high97Very high100 Ų10058.4 Ų58.438%0.37730%0.302SS..BIsolated β-bridgetrans-73.4120.1173.5-169.5166.463.6-166.1-2.7110.8A50 H51 F56 E190 E426A50-R58 WeakPolarHBondContact O-CA 3.3Å; H51-R58 WeakPolarHBondContact NE2-CB 3.44Å; F56-R58 PolarHBondContact O-N 3Å; R58-E190 IonicContact CZ-OE1 3.26Å; R58-E190 IonicContact CZ-OE2 3.14Å; R58-E190 IonicContact NH1-OE1 2.85Å; R58-E190 PolarHBondContact NH1-OE1 3.4Å; R58-E190 IonicContact NH1-OE2 3.68Å; R58-E190 PolarHBondContact NH1-OE2 2.89Å; R58-E190 IonicContact NH2-OE1 2.91Å; R58-E190 PolarHBondContact NH2-OE1 3.17Å; R58-E190 IonicContact NH2-OE2 3.45Å; R58-E426 IonicContact NH2-OE2 3.38Å; R58-E426 PolarHBondContact NH2-OE2 2.87Å
59R93.5Very high97Very high98 Ų9863.1 Ų63.137%0.3732%0.324SS..  trans-155.2147.7179.5-67.1-17959.9161.8-1.9111.4A50 T57 D61 L62A50-R59 PolarHBondContact O-N 3.47Å; T57-R59 HydrophobicContact CG2-CG 3.98Å; R59-D61 IonicContact CZ-OD1 2.7Å; R59-D61 VanDerWaalsContact CZ-OD1 3.31Å; R59-D61 IonicContact CZ-OD2 2.9Å; R59-D61 IonicContact NE-OD1 2.99Å; R59-D61 PolarHBondContact NE-OD1 3.3Å; R59-D61 IonicContact NH2-OD1 3.11Å; R59-D61 PolarHBondContact NH2-OD1 3.02Å; R59-D61 IonicContact NH2-OD2 3.64Å; R59-D61 PolarHBondContact NH2-OD2 2.79Å; R59-L62 HydrophobicContact CB-CD2 4Å; R59-L62 HydrophobicContact CB-CG 4.18Å
60E92.4Very high97Very high203 Ų20365.1 Ų65.195%0.94933%0.326SS*.SBendtrans-80.5-25.8176.2-62.4-176.4171.200113.2L62E60-L62 PolarHBondContact O-N 3.18Å
61D95.2Very high97Very high94 Ų9463.3 Ų63.350%0.50331%0.31SS..SBendtrans-102.442.9-169.467.6-29.9000113.6R59R59-D61 IonicContact CZ-OD1 2.7Å; R59-D61 VanDerWaalsContact CZ-OD1 3.31Å; R59-D61 IonicContact CZ-OD2 2.9Å; R59-D61 IonicContact NE-OD1 2.99Å; R59-D61 PolarHBondContact NE-OD1 3.3Å; R59-D61 IonicContact NH2-OD1 3.11Å; R59-D61 PolarHBondContact NH2-OD1 3.02Å; R59-D61 IonicContact NH2-OD2 3.64Å; R59-D61 PolarHBondContact NH2-OD2 2.79Å
62L98.1Very high97Very high22 Ų2265.9 Ų65.912%0.11532%0.32CS..PPolyproline II helixtrans-77.6140.6-177.6-63.9172.4000113.2H51 C52 R59 E60 Y72H51-L62 WeakPolarHBondContact O-CD1 3.22Å; C52-L62 HydrophobicContact CB-CD2 3.98Å; R59-L62 HydrophobicContact CB-CD2 4Å; R59-L62 HydrophobicContact CB-CG 4.18Å; E60-L62 PolarHBondContact O-N 3.18Å; L62-Y72 HydrophobicContact CB-CD1 4.47Å
63F98Very high97Very high129 Ų12965.9 Ų65.957%0.56632%0.32SS*.EExtended strand (participates in β ladder)trans-81.9127.2174.5-65.4-86.6000111.4Y72 Y73 C74F63-Y72 CarbonylContact O-C 3.55Å; F63-Y72 WeakPolarHBondContact O-CA 3.39Å; F63-Y73 PolarHBondContact N-O 3.29Å; F63-Y73 PolarHBondContact O-N 3.13Å; F63-C74 WeakPolarHBondContact CD2-O 3.37Å; F63-C74 WeakPolarHBondContact CE2-O 3.36Å
64K98.1Very high97Very high116 Ų11666.3 Ų66.350%0.50432%0.324SS..EExtended strand (participates in β ladder)trans-83.7138.9-179.7-175.1167.665.1-171.20112.1G66 K69 A71 Y72K64-G66 PolarHBondContact O-N 2.91Å; K64-K69 HydrophobicContact CD-CB 3.93Å; K64-K69 WeakPolarHBondContact CD-O 3.25Å; K64-K69 HydrophobicContact CG-CB 4.33Å; K64-A71 WeakPolarHBondContact CA-O 3.09Å; K64-Y72 HydrophobicContact CB-CD1 4.04Å; K64-Y72 HydrophobicContact CB-CE1 3.91Å; K64-Y72 HydrophobicContact CD-CE1 3.84Å; K64-Y72 HydrophobicContact CG-CD1 4.34Å; K64-Y72 HydrophobicContact CG-CE1 3.91Å
65C98.4Very high97Very high3 Ų366.7 Ų66.72%0.0233%0.328CS..PPolyproline II helixtrans-58.4121171.2-1800000110.6K67 C68 K69 A71 Y73 H86C65-K67 PolarHBondContact O-N 3.07Å; C65-C68 VanDerWaalsContact SG-SG 3.68Å; C65-K69 VanDerWaalsContact O-CA 3.28Å; C65-K69 WeakPolarHBondContact O-CA 3.49Å; C65-K69 PolarHBondContact O-N 2.78Å; C65-A71 HydrophobicContact CB-CB 4.13Å; C65-A71 PolarHBondContact N-O 3.22Å; C65-Y73 HydrophobicContact CB-CE2 4.25Å; C65-H86 PolarHBondContact SG-NE2 2.98Å; C65-H86 VanDerWaalsContact SG-NE2 3.42Å
66G97.3Very high97Very high68 Ų6868.6 Ų68.670%0.70134%0.338SS*.THydrogen-bonded Turntrans-64.1-22.2-175.900000114.9K64K64-G66 PolarHBondContact O-N 2.91Å
67K96.8Very high97Very high120 Ų12073.1 Ų73.152%0.52236%0.362SS..THydrogen-bonded Turntrans-87-66.3-178-176.6174.6175.6-175.50112.4C65C65-K67 PolarHBondContact O-N 3.07Å
68C96.8Very high97.1Very high10 Ų1070.8 Ų70.87%0.06835%0.349CS..THydrogen-bonded Turntrans-81.3-24-175.965.20000113.5C65 Q70 H86 M93C65-C68 VanDerWaalsContact SG-SG 3.68Å; C68-Q70 WeakPolarHBondContact O-CG 3.47Å; C68-Q70 PolarHBondContact O-N 2.95Å; C68-Q70 VanDerWaalsContact O-N 3.15Å; C68-Q70 PolarHBondContact SG-N 3.45Å; C68-Q70 VanDerWaalsContact SG-N 3.44Å; C68-H86 VanDerWaalsContact SG-CE1 3.54Å; C68-M93 HydrophobicContact CB-CB 4.49Å; C68-M93 HydrophobicContact CB-CE 4Å
69K96.8Very high97.2Very high133 Ų13368.9 Ų68.958%0.57834%0.344SS*.SBendtrans57.619.1-173.6-54.5177.1-177.1175.20114.6K64 C65K64-K69 HydrophobicContact CD-CB 3.93Å; K64-K69 WeakPolarHBondContact CD-O 3.25Å; K64-K69 HydrophobicContact CG-CB 4.33Å; C65-K69 VanDerWaalsContact O-CA 3.28Å; C65-K69 WeakPolarHBondContact O-CA 3.49Å; C65-K69 PolarHBondContact O-N 2.78Å
70Q96.6Very high97.4Very high69 Ų6972.4 Ų72.432%0.32236%0.357SS..  trans-121.9-6.7-175.7-70.5-178.155.100113.7R48 C68 M93R48-Q70 VanDerWaalsContact CD-O 3.25Å; R48-Q70 WeakPolarHBondContact CD-O 3.27Å; R48-Q70 PolarHBondContact NE-O 3.11Å; C68-Q70 WeakPolarHBondContact O-CG 3.47Å; C68-Q70 PolarHBondContact O-N 2.95Å; C68-Q70 VanDerWaalsContact O-N 3.15Å; C68-Q70 PolarHBondContact SG-N 3.45Å; C68-Q70 VanDerWaalsContact SG-N 3.44Å; Q70-M93 HydrophobicContact CB-CE 4.23Å; Q70-M93 HydrophobicContact CB-SD 3.74Å; Q70-M93 HydrophobicContact CG-SD 4.43Å; Q70-M93 PolarHBondContact OE1-SD 3.32Å
71A98Very high97.6Very high0 Ų064.7 Ų64.70%033%0.332CS..  trans-114.8145.517500000110.5E53 K64 C65 Y73 H86E53-A71 HydrophobicContact CG-CB 3.94Å; K64-A71 WeakPolarHBondContact CA-O 3.09Å; C65-A71 HydrophobicContact CB-CB 4.13Å; C65-A71 PolarHBondContact N-O 3.22Å; A71-Y73 HydrophobicContact CB-CE2 3.93Å; A71-H86 WeakPolarHBondContact CB-CE1 3.43Å
72Y98.5Very high97.7Very high58 Ų5860.3 Ų60.323%0.22731%0.309CS..EExtended strand (participates in β ladder)trans-132140.6-171.3-62.9-95.9000111R48 G49 C52 E53 L62 F63 K64R48-Y72 HydrophobicContact CB-CD2 4.2Å; R48-Y72 HydrophobicContact CB-CE2 4.29Å; G49-Y72 VanDerWaalsContact N-CD2 3.28Å; C52-Y72 WeakPolarHBondContact CA-O 3.33Å; E53-Y72 WeakPolarHBondContact CG-O 3.5Å; E53-Y72 PolarHBondContact N-O 3.26Å; L62-Y72 HydrophobicContact CB-CD1 4.47Å; F63-Y72 CarbonylContact O-C 3.55Å; F63-Y72 WeakPolarHBondContact O-CA 3.39Å; K64-Y72 HydrophobicContact CB-CD1 4.04Å; K64-Y72 HydrophobicContact CB-CE1 3.91Å; K64-Y72 HydrophobicContact CD-CE1 3.84Å; K64-Y72 HydrophobicContact CG-CD1 4.34Å; K64-Y72 HydrophobicContact CG-CE1 3.91Å
73Y98.6Very high97.7Very high0 Ų064.9 Ų64.90%033%0.325CS..EExtended strand (participates in β ladder)trans-139.3148.1-170.8-59.5-75.6000112.4E53 H54 F63 C65 A71 N75 C78 Q79 D82 H86E53-Y73 HydrophobicContact CB-CD1 4.19Å; E53-Y73 HydrophobicContact CB-CE1 3.62Å; H54-Y73 HydrophobicContact CB-CD1 4.3Å; H54-Y73 HydrophobicContact CB-CE1 4.48Å; F63-Y73 PolarHBondContact N-O 3.29Å; F63-Y73 PolarHBondContact O-N 3.13Å; C65-Y73 HydrophobicContact CB-CE2 4.25Å; A71-Y73 HydrophobicContact CB-CE2 3.93Å; Y73-N75 PolarHBondContact O-N 3.13Å; Y73-C78 HydrophobicContact CD1-CB 4.2Å; Y73-Q79 HydrophobicContact CD1-CB 4.22Å; Y73-Q79 HydrophobicContact CD2-CB 3.68Å; Y73-Q79 HydrophobicContact CD2-CG 3.71Å; Y73-Q79 HydrophobicContact CE2-CB 4.1Å; Y73-Q79 HydrophobicContact CE2-CG 3.71Å; Y73-Q79 HydrophobicContact CG-CB 3.74Å; Y73-Q79 HydrophobicContact CG-CG 4.27Å; Y73-D82 HydrophobicContact CE1-CB 3.62Å; Y73-D82 VanDerWaalsContact CE1-OD2 3.25Å; Y73-D82 WeakPolarHBondContact CE1-OD2 3.29Å; Y73-D82 PolarHBondContact OH-OD2 3.01Å; Y73-H86 WeakPolarHBondContact OH-CB 3.4Å; Y73-H86 PolarHBondContact OH-CD2 3.42Å
74C98.3Very high97.4Very high10 Ų1061.6 Ų61.67%0.06832%0.316CS..SBendtrans-60.6-36.3174-64.60000112.8C52 C55 F63C52-C74 WeakPolarHBondContact CB-SG 3.13Å; C52-C74 PolarHBondContact SG-N 3.12Å; C52-C74 VanDerWaalsContact SG-N 3.41Å; C55-C74 VanDerWaalsContact SG-SG 3.69Å; F63-C74 WeakPolarHBondContact CD2-O 3.37Å; F63-C74 WeakPolarHBondContact CE2-O 3.36Å
75N97.8Very high97.2Very high63 Ų6357.4 Ų57.434%0.33730%0.299SS..SBendtrans-168.2-178.4-175.45542.2000110.8Y73 D77 C78 Q79Y73-N75 PolarHBondContact O-N 3.13Å; N75-D77 VanDerWaalsContact C-N 3.25Å; N75-D77 PolarHBondContact O-N 3.31Å; N75-D77 WeakPolarHBondContact OD1-CB 3.49Å; N75-D77 PolarHBondContact OD1-N 3.04Å; N75-C78 PolarHBondContact O-N 3.41Å; N75-C78 PolarHBondContact OD1-N 3.34Å; N75-Q79 PolarHBondContact O-N 3.1Å; N75-Q79 VanDerWaalsContact O-N 3.13Å
76V97.9Very high97.1Very high72 Ų7257.3 Ų57.344%0.43630%0.298SS..Hα-helixtrans-61.8-29.617969.90000113.4Q79 R80V76-Q79 PolarHBondContact O-N 3.43Å; V76-R80 HydrophobicContact CG2-CG 4.41Å; V76-R80 WeakPolarHBondContact O-CB 3.31Å; V76-R80 VanDerWaalsContact O-CG 3.25Å; V76-R80 WeakPolarHBondContact O-CG 3.39Å; V76-R80 PolarHBondContact O-N 2.83Å
77D98.3Very high96.9Very high103 Ų10358 Ų5855%0.55128%0.282SS*.Hα-helixtrans-72.6-43-179.6-60.8-39.7000110.8N75 Q79 R80 G81N75-D77 VanDerWaalsContact C-N 3.25Å; N75-D77 PolarHBondContact O-N 3.31Å; N75-D77 WeakPolarHBondContact OD1-CB 3.49Å; N75-D77 PolarHBondContact OD1-N 3.04Å; D77-Q79 VanDerWaalsContact C-N 3.34Å; D77-Q79 PolarHBondContact O-N 2.78Å; D77-R80 PolarHBondContact O-N 3.1Å; D77-G81 PolarHBondContact O-N 2.82Å
78C98.4Very high96.5Very high16 Ų1652.4 Ų52.411%0.10826%0.257CS..Hα-helixtrans-60.3-43.5171.6-73.50000111.8H54 Y73 N75 R80 G81 D82H54-C78 HydrophobicContact CB-CB 3.81Å; H54-C78 WeakPolarHBondContact CB-O 3.19Å; Y73-C78 HydrophobicContact CD1-CB 4.2Å; N75-C78 PolarHBondContact O-N 3.41Å; N75-C78 PolarHBondContact OD1-N 3.34Å; C78-R80 PolarHBondContact O-N 3Å; C78-G81 PolarHBondContact O-N 3.28Å; C78-D82 WeakPolarHBondContact O-CB 3.24Å; C78-D82 PolarHBondContact O-N 2.9Å
79Q98.4Very high96.3Very high60 Ų6052 Ų5228%0.2826%0.255SS..Hα-helixtrans-62.4-42.7177.2-174.4178.126.700112.1Y73 N75 V76 D77 W83Y73-Q79 HydrophobicContact CD1-CB 4.22Å; Y73-Q79 HydrophobicContact CD2-CB 3.68Å; Y73-Q79 HydrophobicContact CD2-CG 3.71Å; Y73-Q79 HydrophobicContact CE2-CB 4.1Å; Y73-Q79 HydrophobicContact CE2-CG 3.71Å; Y73-Q79 HydrophobicContact CG-CB 3.74Å; Y73-Q79 HydrophobicContact CG-CG 4.27Å; N75-Q79 PolarHBondContact O-N 3.1Å; N75-Q79 VanDerWaalsContact O-N 3.13Å; V76-Q79 PolarHBondContact O-N 3.43Å; D77-Q79 VanDerWaalsContact C-N 3.34Å; D77-Q79 PolarHBondContact O-N 2.78Å; Q79-W83 PolarHBondContact O-N 3.01Å; Q79-W83 VanDerWaalsContact O-N 3.1Å
80R97.8Very high96.3Very high171 Ų17145.7 Ų45.765%0.64523%0.227SC*.Hα-helixtrans-66.9-41.1177-76.2172.3179.3170.60.4111.9V76 D77 C78 D82 W83V76-R80 HydrophobicContact CG2-CG 4.41Å; V76-R80 WeakPolarHBondContact O-CB 3.31Å; V76-R80 VanDerWaalsContact O-CG 3.25Å; V76-R80 WeakPolarHBondContact O-CG 3.39Å; V76-R80 PolarHBondContact O-N 2.83Å; D77-R80 PolarHBondContact O-N 3.1Å; C78-R80 PolarHBondContact O-N 3Å; R80-D82 VanDerWaalsContact C-N 3.33Å; R80-D82 PolarHBondContact O-N 2.9Å; R80-W83 WeakPolarHBondContact O-CB 3.49Å; R80-W83 PolarHBondContact O-N 3.24Å
81G96.5Very high95.9Very high41 Ų4144.6 Ų44.642%0.42323%0.225SC..Hα-helixtrans-63.7-37178.600000113D77 C78 P84D77-G81 PolarHBondContact O-N 2.82Å; C78-G81 PolarHBondContact O-N 3.28Å; G81-P84 WeakPolarHBondContact O-CD 3.37Å
82D97.6Very high95.6Very high3 Ų344.6 Ų44.62%0.01623%0.225CC..Hα-helixtrans-83.3-18.9177.9-171.443.5000113.5H54 Y73 C78 R80 P84 M85 H86 R111H54-D82 HydrophobicContact CB-CB 3.97Å; H54-D82 PolarHBondContact ND1-N 2.96Å; Y73-D82 HydrophobicContact CE1-CB 3.62Å; Y73-D82 VanDerWaalsContact CE1-OD2 3.25Å; Y73-D82 WeakPolarHBondContact CE1-OD2 3.29Å; Y73-D82 PolarHBondContact OH-OD2 3.01Å; C78-D82 WeakPolarHBondContact O-CB 3.24Å; C78-D82 PolarHBondContact O-N 2.9Å; R80-D82 VanDerWaalsContact C-N 3.33Å; R80-D82 PolarHBondContact O-N 2.9Å; D82-P84 VanDerWaalsContact C-N 3.34Å; D82-P84 VanDerWaalsContact O-N 3.12Å; D82-M85 CarbonylContact O-C 3.55Å; D82-M85 WeakPolarHBondContact O-CA 3.48Å; D82-M85 PolarHBondContact O-N 3.15Å; D82-H86 PolarHBondContact O-N 2.84Å; D82-H86 WeakPolarHBondContact OD2-CB 3.24Å; D82-R111 IonicContact OD1-NH1 3.62Å
83W96.4Very high95.4Very high118 Ų11841.9 Ų41.945%0.44721%0.214SC..Hα-helixtrans-50-40.1-175.5-176.2-116000115.6Q79 R80 M85 H86 K87 C90Q79-W83 PolarHBondContact O-N 3.01Å; Q79-W83 VanDerWaalsContact O-N 3.1Å; R80-W83 WeakPolarHBondContact O-CB 3.49Å; R80-W83 PolarHBondContact O-N 3.24Å; W83-M85 PolarHBondContact O-N 3.4Å; W83-H86 AromaticContact CE3-CD2 3.97Å; W83-H86 AromaticContact CZ3-CD2 3.93Å; W83-K87 HydrophobicContact CD2-CB 4.02Å; W83-K87 HydrophobicContact CE3-CB 4.18Å; W83-K87 HydrophobicContact CH2-CB 3.96Å; W83-K87 HydrophobicContact CZ2-CB 3.79Å; W83-K87 HydrophobicContact CZ3-CB 4.16Å; W83-K87 VanDerWaalsContact O-CB 3.25Å; W83-K87 WeakPolarHBondContact O-CB 3.38Å; W83-K87 VanDerWaalsContact O-CG 3.29Å; W83-K87 WeakPolarHBondContact O-CG 3.3Å; W83-K87 PolarHBondContact O-N 2.97Å; W83-C90 HydrophobicContact CZ3-CB 4.32Å
84P92.8Very high95.1Very high60 Ų6045 Ų4539%0.3924%0.235SC..Hα-helixtrans-56.1-30.8175.5-26.436.5000114.1G81 D82 K87G81-P84 WeakPolarHBondContact O-CD 3.37Å; D82-P84 VanDerWaalsContact C-N 3.34Å; D82-P84 VanDerWaalsContact O-N 3.12Å; P84-K87 VanDerWaalsContact O-CE 3.26Å; P84-K87 WeakPolarHBondContact O-CE 3.48Å
85M94.3Very high94.8Very high28 Ų2848 Ų4814%0.13826%0.261CS..Hα-helixtrans-94.9-50.5176.5-60-55.515800111D82 W83 K87 L88 R111 M114 K115D82-M85 CarbonylContact O-C 3.55Å; D82-M85 WeakPolarHBondContact O-CA 3.48Å; D82-M85 PolarHBondContact O-N 3.15Å; W83-M85 PolarHBondContact O-N 3.4Å; M85-K87 VanDerWaalsContact C-N 3.25Å; M85-K87 PolarHBondContact O-N 3.12Å; M85-L88 VanDerWaalsContact O-CB 3.32Å; M85-L88 WeakPolarHBondContact O-CB 3.25Å; M85-L88 WeakPolarHBondContact O-CG 3.26Å; M85-L88 PolarHBondContact O-N 3.07Å; M85-L88 VanDerWaalsContact O-N 3.14Å; M85-R111 HydrophobicContact CB-CG 4.24Å; M85-R111 HydrophobicContact SD-CB 4.04Å; M85-R111 HydrophobicContact SD-CG 4.3Å; M85-M114 HydrophobicContact SD-CB 4.15Å; M85-M114 HydrophobicContact SD-CG 4.22Å; M85-K115 HydrophobicContact CE-CB 3.91Å; M85-K115 HydrophobicContact CE-CD 3.97Å; M85-K115 HydrophobicContact CE-CG 4.49Å
86H95.8Very high94.6Very high0 Ų047.1 Ų47.10%025%0.254CS..Hα-helixtrans-57.5-34.6-178.1-178.254000113.4C65 C68 A71 Y73 D82 W83 L88 E89 C90C65-H86 PolarHBondContact SG-NE2 2.98Å; C65-H86 VanDerWaalsContact SG-NE2 3.42Å; C68-H86 VanDerWaalsContact SG-CE1 3.54Å; A71-H86 WeakPolarHBondContact CB-CE1 3.43Å; Y73-H86 WeakPolarHBondContact OH-CB 3.4Å; Y73-H86 PolarHBondContact OH-CD2 3.42Å; D82-H86 PolarHBondContact O-N 2.84Å; D82-H86 WeakPolarHBondContact OD2-CB 3.24Å; W83-H86 AromaticContact CE3-CD2 3.97Å; W83-H86 AromaticContact CZ3-CD2 3.93Å; H86-L88 PolarHBondContact O-N 3.19Å; H86-E89 PolarHBondContact O-N 3.27Å; H86-E89 VanDerWaalsContact O-N 3.08Å; H86-C90 WeakPolarHBondContact NE2-CB 3.31Å; H86-C90 VanDerWaalsContact O-CB 3.22Å; H86-C90 WeakPolarHBondContact O-CB 3.44Å; H86-C90 PolarHBondContact O-N 3.38Å
87K93.4Very high94.3Very high83 Ų8345.4 Ų45.436%0.36125%0.251SS..Hα-helixtrans-54-31.9-179.669.8-176.6-177.7175.60112.8W83 P84 M85 V91W83-K87 HydrophobicContact CD2-CB 4.02Å; W83-K87 HydrophobicContact CE3-CB 4.18Å; W83-K87 HydrophobicContact CH2-CB 3.96Å; W83-K87 HydrophobicContact CZ2-CB 3.79Å; W83-K87 HydrophobicContact CZ3-CB 4.16Å; W83-K87 VanDerWaalsContact O-CB 3.25Å; W83-K87 WeakPolarHBondContact O-CB 3.38Å; W83-K87 VanDerWaalsContact O-CG 3.29Å; W83-K87 WeakPolarHBondContact O-CG 3.3Å; W83-K87 PolarHBondContact O-N 2.97Å; P84-K87 VanDerWaalsContact O-CE 3.26Å; P84-K87 WeakPolarHBondContact O-CE 3.48Å; M85-K87 VanDerWaalsContact C-N 3.25Å; M85-K87 PolarHBondContact O-N 3.12Å; K87-V91 WeakPolarHBondContact O-CG2 3.49Å; K87-V91 PolarHBondContact O-N 3.38Å
88L88.5Confident94Very high2 Ų250 Ų501%0.0127%0.269CS..Hα-helixtrans-62.6-54.8177.8-55.7172000110.2M85 H86 A92 M114 Y160 H163 I164M85-L88 VanDerWaalsContact O-CB 3.32Å; M85-L88 WeakPolarHBondContact O-CB 3.25Å; M85-L88 WeakPolarHBondContact O-CG 3.26Å; M85-L88 PolarHBondContact O-N 3.07Å; M85-L88 VanDerWaalsContact O-N 3.14Å; H86-L88 PolarHBondContact O-N 3.19Å; L88-A92 PolarHBondContact O-N 3.13Å; L88-M114 HydrophobicContact CD1-CB 3.72Å; L88-M114 HydrophobicContact CD1-CG 3.95Å; L88-M114 HydrophobicContact CD2-CG 4.44Å; L88-M114 HydrophobicContact CD2-SD 4.15Å; L88-Y160 HydrophobicContact CB-CD1 4.25Å; L88-Y160 HydrophobicContact CB-CE1 4.29Å; L88-H163 HydrophobicContact CD2-CB 4.5Å; L88-I164 HydrophobicContact CD2-CD1 4.33Å; L88-I164 HydrophobicContact CD2-CG1 3.84Å
89E92.4Very high93.9Very high2 Ų255 Ų551%0.00929%0.294CS..Hα-helixtrans-73.7-37.5-178.8-62.4-179.7-159.700111.4R48 H86 V91 A92 M93 W100 R107 R111 Y160R48-E89 IonicContact NH2-OE2 2.8Å; R48-E89 PolarHBondContact NH2-OE2 2.94Å; H86-E89 PolarHBondContact O-N 3.27Å; H86-E89 VanDerWaalsContact O-N 3.08Å; E89-V91 VanDerWaalsContact C-N 3.3Å; E89-V91 PolarHBondContact O-N 2.83Å; E89-A92 PolarHBondContact O-N 3.43Å; E89-M93 HydrophobicContact CB-CE 3.97Å; E89-M93 VanDerWaalsContact O-CB 3.27Å; E89-M93 WeakPolarHBondContact O-CB 3.32Å; E89-M93 VanDerWaalsContact O-CG 3.23Å; E89-M93 WeakPolarHBondContact O-CG 3.46Å; E89-M93 PolarHBondContact O-N 2.98Å; E89-W100 HydrophobicContact CB-CZ2 4.23Å; E89-W100 HydrophobicContact CG-CZ2 4.14Å; E89-R107 IonicContact OE1-NE 3.13Å; E89-R107 PolarHBondContact OE1-NE 3.08Å; E89-R107 IonicContact OE1-NH2 2.91Å; E89-R107 IonicContact OE2-CZ 3.45Å; E89-R107 IonicContact OE2-NE 3.74Å; E89-R107 PolarHBondContact OE2-NE 3.09Å; E89-R107 IonicContact OE2-NH2 3.89Å; E89-R107 PolarHBondContact OE2-NH2 3.04Å; E89-R111 IonicContact OE1-CZ 2.96Å; E89-R111 IonicContact OE1-NE 2.82Å; E89-R111 PolarHBondContact OE1-NE 3.44Å; E89-R111 IonicContact OE1-NH2 2.75Å; E89-R111 PolarHBondContact OE1-NH2 2.75Å; E89-R111 IonicContact OE2-NH2 2.86Å; E89-R111 PolarHBondContact OE2-NH2 2.99Å; E89-Y160 HydrophobicContact CG-CE1 4.17Å
90C95.2Very high93.7Very high0 Ų053.3 Ų53.30%029%0.285CS..Hα-helixtrans-59-42.4-176.4-174.90000112W83 H86 C94W83-C90 HydrophobicContact CZ3-CB 4.32Å; H86-C90 WeakPolarHBondContact NE2-CB 3.31Å; H86-C90 VanDerWaalsContact O-CB 3.22Å; H86-C90 WeakPolarHBondContact O-CB 3.44Å; H86-C90 PolarHBondContact O-N 3.38Å; C90-C94 PolarHBondContact O-N 3.25Å; C90-C94 PolarHBondContact O-SG 3.1Å
91V89.4Confident93.6Very high46 Ų4649.9 Ų49.928%0.27929%0.286SS..Hα-helixtrans-75.6-43.1179.6-174.50000110.1K87 E89 C94 A95 H163K87-V91 WeakPolarHBondContact O-CG2 3.49Å; K87-V91 PolarHBondContact O-N 3.38Å; E89-V91 VanDerWaalsContact C-N 3.3Å; E89-V91 PolarHBondContact O-N 2.83Å; V91-C94 PolarHBondContact O-N 2.91Å; V91-A95 WeakPolarHBondContact O-CB 3.47Å; V91-A95 PolarHBondContact O-N 2.9Å; V91-H163 WeakPolarHBondContact CG1-CE1 3.4Å; V91-H163 WeakPolarHBondContact CG1-NE2 3.46Å
92A90.9Very high93.6Very high0 Ų048.5 Ų48.50%027%0.27CS..Hα-helixtrans-60-47.5177.400000112.1L88 E89 C94 A95 Y96L88-A92 PolarHBondContact O-N 3.13Å; E89-A92 PolarHBondContact O-N 3.43Å; A92-C94 VanDerWaalsContact C-N 3.31Å; A92-C94 PolarHBondContact O-N 2.67Å; A92-A95 PolarHBondContact O-N 2.76Å; A92-Y96 HydrophobicContact CB-CD2 4.37Å; A92-Y96 VanDerWaalsContact O-CD2 3.3Å; A92-Y96 WeakPolarHBondContact O-CD2 3.24Å; A92-Y96 PolarHBondContact O-N 3.36Å
93M94.3Very high93.5Very high1 Ų150.4 Ų50.41%0.00528%0.284CS..Hα-helixtrans-58.2-41.7176.5-74.4-173.7-6700112R48 C68 Q70 E89 G97 W100R48-M93 PolarHBondContact NH1-SD 3.44Å; R48-M93 VanDerWaalsContact NH1-SD 3.4Å; C68-M93 HydrophobicContact CB-CB 4.49Å; C68-M93 HydrophobicContact CB-CE 4Å; Q70-M93 HydrophobicContact CB-CE 4.23Å; Q70-M93 HydrophobicContact CB-SD 3.74Å; Q70-M93 HydrophobicContact CG-SD 4.43Å; Q70-M93 PolarHBondContact OE1-SD 3.32Å; E89-M93 HydrophobicContact CB-CE 3.97Å; E89-M93 VanDerWaalsContact O-CB 3.27Å; E89-M93 WeakPolarHBondContact O-CB 3.32Å; E89-M93 VanDerWaalsContact O-CG 3.23Å; E89-M93 WeakPolarHBondContact O-CG 3.46Å; E89-M93 PolarHBondContact O-N 2.98Å; M93-G97 WeakPolarHBondContact O-CA 3.43Å; M93-G97 PolarHBondContact O-N 3.49Å; M93-W100 HydrophobicContact CG-CD2 3.52Å; M93-W100 HydrophobicContact CG-CE3 3.73Å; M93-W100 HydrophobicContact CG-CG 3.97Å; M93-W100 HydrophobicContact CG-CH2 4.19Å; M93-W100 HydrophobicContact CG-CZ2 4.02Å; M93-W100 HydrophobicContact CG-CZ3 4.08Å; M93-W100 HydrophobicContact SD-CE3 4.27Å; M93-W100 HydrophobicContact SD-CH2 4.21Å; M93-W100 HydrophobicContact SD-CZ3 4.09Å
94C93.4Very high93.6Very high65 Ų6546.6 Ų46.644%0.43927%0.271SS..Hα-helixtrans-67.6-34.7175.5-71.30000113C90 V91 A92C90-C94 PolarHBondContact O-N 3.25Å; C90-C94 PolarHBondContact O-SG 3.1Å; V91-C94 PolarHBondContact O-N 2.91Å; A92-C94 VanDerWaalsContact C-N 3.31Å; A92-C94 PolarHBondContact O-N 2.67Å
95A91.2Very high93.8Very high74 Ų7445.4 Ų45.461%0.61226%0.262SS*.Hα-helixtrans-78.4-40.6-176.100000112.8V91 A92V91-A95 WeakPolarHBondContact O-CB 3.47Å; V91-A95 PolarHBondContact O-N 2.9Å; A92-A95 PolarHBondContact O-N 2.76Å
96Y93.1Very high94Very high45 Ų4544 Ų4418%0.17626%0.256CS..Hα-helixtrans-95-21.2-175.3-69.5-75.2000113.3A92 E98 N99 H158 F159A92-Y96 HydrophobicContact CB-CD2 4.37Å; A92-Y96 VanDerWaalsContact O-CD2 3.3Å; A92-Y96 WeakPolarHBondContact O-CD2 3.24Å; A92-Y96 PolarHBondContact O-N 3.36Å; Y96-E98 PolarHBondContact O-N 2.81Å; Y96-N99 WeakPolarHBondContact O-CB 2.95Å; Y96-N99 PolarHBondContact O-N 2.89Å; Y96-H158 AromaticContact CD1-NE2 3.98Å; Y96-H158 AromaticContact CE1-CE1 3.96Å; Y96-H158 AromaticContact CE1-NE2 3.45Å; Y96-H158 WeakPolarHBondContact CE1-NE2 3.21Å; Y96-H158 PolarHBondContact OH-O 2.88Å; Y96-F159 HydrophobicContact CD1-CE1 4.38Å; Y96-F159 AromaticContact CD2-CD1 3.83Å; Y96-F159 HydrophobicContact CD2-CD1 3.83Å; Y96-F159 HydrophobicContact CD2-CE1 4.38Å; Y96-F159 AromaticContact CE2-CD1 3.98Å; Y96-F159 HydrophobicContact CE2-CD1 3.98Å; Y96-F159 HydrophobicContact CG-CD1 4.12Å; Y96-F159 HydrophobicContact CG-CE1 4.2Å
97G92.8Very high94.1Very high36 Ų3644.1 Ų44.137%0.37126%0.256SS..G310 helixtrans58.3-128.4179.500000111.6M93 N99 W100M93-G97 WeakPolarHBondContact O-CA 3.43Å; M93-G97 PolarHBondContact O-N 3.49Å; G97-N99 PolarHBondContact O-N 3.29Å; G97-W100 WeakPolarHBondContact O-CB 3.41Å; G97-W100 PolarHBondContact O-N 3.05Å; G97-W100 VanDerWaalsContact O-N 3.09Å
98E91.9Very high94.4Very high199 Ų19940.3 Ų40.393%0.9324%0.239SC*.G310 helixtrans-62.8-20.9177.3-64.8177.4178.600113.5Y96 W100Y96-E98 PolarHBondContact O-N 2.81Å; E98-W100 PolarHBondContact O-N 3.47Å
99N94.8Very high94.8Very high122 Ų12240.2 Ų40.265%0.65224%0.239SC*.G310 helixtrans-82.5-0.1177-56.5-54.2000112.8Y96 G97 C101 F159Y96-N99 WeakPolarHBondContact O-CB 2.95Å; Y96-N99 PolarHBondContact O-N 2.89Å; G97-N99 PolarHBondContact O-N 3.29Å; N99-C101 PolarHBondContact O-N 3.28Å; N99-F159 WeakPolarHBondContact O-CE1 3.45Å
100W95.3Very high95Very high24 Ų2440.1 Ų40.19%0.09124%0.239CC..  trans-77.3100.7174.9-171.278.7000109.9V45 E89 M93 G97 E98 P102 R107 F159V45-W100 HydrophobicContact CG2-CZ3 4.46Å; E89-W100 HydrophobicContact CB-CZ2 4.23Å; E89-W100 HydrophobicContact CG-CZ2 4.14Å; M93-W100 HydrophobicContact CG-CD2 3.52Å; M93-W100 HydrophobicContact CG-CE3 3.73Å; M93-W100 HydrophobicContact CG-CG 3.97Å; M93-W100 HydrophobicContact CG-CH2 4.19Å; M93-W100 HydrophobicContact CG-CZ2 4.02Å; M93-W100 HydrophobicContact CG-CZ3 4.08Å; M93-W100 HydrophobicContact SD-CE3 4.27Å; M93-W100 HydrophobicContact SD-CH2 4.21Å; M93-W100 HydrophobicContact SD-CZ3 4.09Å; G97-W100 WeakPolarHBondContact O-CB 3.41Å; G97-W100 PolarHBondContact O-N 3.05Å; G97-W100 VanDerWaalsContact O-N 3.09Å; E98-W100 PolarHBondContact O-N 3.47Å; W100-P102 HydrophobicContact CD2-CG 4.04Å; W100-P102 VanDerWaalsContact CE2-CG 3.45Å; W100-P102 HydrophobicContact CE3-CG 4.49Å; W100-P102 HydrophobicContact CH2-CG 4Å; W100-P102 HydrophobicContact CZ2-CG 3.45Å; W100-P102 VanDerWaalsContact CZ2-CG 3.45Å; W100-P102 HydrophobicContact CZ3-CG 4.47Å; W100-R107 HydrophobicContact CH2-CG 4.35Å; W100-R107 HydrophobicContact CZ2-CG 4.37Å; W100-F159 AromaticContact CD1-CD1 3.81Å
101C95.2Very high95.1Very high98 Ų9840.3 Ų40.366%0.66224%0.239SC*.  trans-138.343.9-176.859.20000114.6N99N99-C101 PolarHBondContact O-N 3.28Å
102P96.4Very high95.4Very high13 Ų1338.1 Ų38.18%0.08423%0.226CC..  trans-63.7143.4172.228.5-33.3000110.9W100 V106 R107 F159 Y160W100-P102 HydrophobicContact CD2-CG 4.04Å; W100-P102 VanDerWaalsContact CE2-CG 3.45Å; W100-P102 HydrophobicContact CE3-CG 4.49Å; W100-P102 HydrophobicContact CH2-CG 4Å; W100-P102 HydrophobicContact CZ2-CG 3.45Å; W100-P102 VanDerWaalsContact CZ2-CG 3.45Å; W100-P102 HydrophobicContact CZ3-CG 4.47Å; P102-V106 HydrophobicContact CB-CB 4.21Å; P102-V106 HydrophobicContact CB-CG1 3.83Å; P102-R107 HydrophobicContact CB-CG 4.13Å; P102-R107 HydrophobicContact CG-CG 3.82Å; P102-F159 HydrophobicContact CB-CD2 3.69Å; P102-F159 HydrophobicContact CB-CE2 4.11Å; P102-F159 HydrophobicContact CB-CG 4.32Å; P102-F159 HydrophobicContact CG-CD2 4.24Å; P102-F159 HydrophobicContact CG-CG 4.47Å; P102-Y160 HydrophobicContact CB-CE2 4.16Å; P102-Y160 HydrophobicContact CG-CE2 4.39Å
103S96.8Very high95.6Very high43 Ų4338.2 Ų38.230%0.30123%0.227SC..  trans-60.1157.9171.170.80000110.9T105 V106 R107 D152S103-T105 VanDerWaalsContact C-N 3.25Å; S103-T105 PolarHBondContact O-N 3.29Å; S103-V106 PolarHBondContact O-N 2.96Å; S103-V106 WeakPolarHBondContact OG-CB 3.49Å; S103-V106 WeakPolarHBondContact OG-CG2 3.17Å; S103-V106 PolarHBondContact OG-N 2.98Å; S103-V106 VanDerWaalsContact OG-N 3.16Å; S103-R107 WeakPolarHBondContact O-CG 3.32Å; S103-R107 PolarHBondContact O-N 3.5Å; S103-D152 PolarHBondContact OG-OD1 2.84Å
104E97.3Very high95.5Very high37 Ų3739.2 Ų39.217%0.17323%0.232CC..Hα-helixtrans-61.3-37.4177.8-162.3169.4114.600111.6V42 T44 R107 L108 H194 G196 S197V42-E104 HydrophobicContact CG1-CG 3.69Å; T44-E104 WeakPolarHBondContact CA-OE2 3.5Å; T44-E104 WeakPolarHBondContact CB-OE2 3.37Å; T44-E104 PolarHBondContact OG1-OE2 3.06Å; E104-R107 PolarHBondContact O-N 2.76Å; E104-L108 PolarHBondContact O-N 3.35Å; E104-H194 VanDerWaalsContact CD-NE2 3.3Å; E104-H194 IonicContact OE1-CE1 3.32Å; E104-H194 PolarHBondContact OE1-CE1 3.13Å; E104-H194 IonicContact OE1-NE2 3.59Å; E104-H194 PolarHBondContact OE1-NE2 2.78Å; E104-H194 IonicContact OE2-CD2 3.64Å; E104-H194 IonicContact OE2-CE1 3.5Å; E104-H194 IonicContact OE2-NE2 3.84Å; E104-H194 PolarHBondContact OE2-NE2 3.07Å; E104-G196 WeakPolarHBondContact OE1-CA 3.41Å; E104-S197 VanDerWaalsContact OE1-CB 3.23Å; E104-S197 WeakPolarHBondContact OE1-CB 3.4Å; E104-S197 PolarHBondContact OE1-N 2.79Å; E104-S197 PolarHBondContact OE1-OG 3.48Å
105T98.1Very high95.5Very high35 Ų3538.6 Ų38.622%0.21522%0.221CC..Hα-helixtrans-58.9-47.8172.5-51.90000111.7S103 R107 L108 V109 F177 V180S103-T105 VanDerWaalsContact C-N 3.25Å; S103-T105 PolarHBondContact O-N 3.29Å; T105-R107 VanDerWaalsContact C-N 3.32Å; T105-R107 PolarHBondContact O-N 3.23Å; T105-L108 PolarHBondContact O-N 2.86Å; T105-V109 WeakPolarHBondContact O-CG2 3.05Å; T105-V109 PolarHBondContact O-N 2.81Å; T105-F177 HydrophobicContact CG2-CD1 3.85Å; T105-F177 HydrophobicContact CG2-CE1 4.01Å; T105-V180 HydrophobicContact CG2-CG1 4.05Å
106V98.1Very high95.6Very high0 Ų038.8 Ų38.80%021%0.21CC..Hα-helixtrans-60.4-42.1177.1168.80000111.5P102 S103 V109 A110 D152 A155 L156 Y160 F177P102-V106 HydrophobicContact CB-CB 4.21Å; P102-V106 HydrophobicContact CB-CG1 3.83Å; S103-V106 PolarHBondContact O-N 2.96Å; S103-V106 WeakPolarHBondContact OG-CB 3.49Å; S103-V106 WeakPolarHBondContact OG-CG2 3.17Å; S103-V106 PolarHBondContact OG-N 2.98Å; S103-V106 VanDerWaalsContact OG-N 3.16Å; V106-V109 PolarHBondContact O-N 2.93Å; V106-A110 WeakPolarHBondContact O-CB 3.44Å; V106-A110 PolarHBondContact O-N 2.81Å; V106-D152 HydrophobicContact CG2-CB 3.68Å; V106-D152 VanDerWaalsContact CG2-O 3.31Å; V106-D152 WeakPolarHBondContact CG2-O 3.46Å; V106-D152 VanDerWaalsContact CG2-OD1 3.25Å; V106-D152 WeakPolarHBondContact CG2-OD1 3.48Å; V106-A155 HydrophobicContact CG1-CB 4.48Å; V106-A155 HydrophobicContact CG2-CB 4.15Å; V106-L156 HydrophobicContact CG1-CB 4.12Å; V106-L156 HydrophobicContact CG1-CD1 4.25Å; V106-Y160 HydrophobicContact CG1-CD2 4.27Å; V106-Y160 HydrophobicContact CG1-CE2 3.83Å; V106-F177 HydrophobicContact CG2-CE1 3.93Å; V106-F177 HydrophobicContact CG2-CZ 3.97Å
107R98Very high95.3Very high2 Ų241.2 Ų41.21%0.00822%0.219CC..Hα-helixtrans-62.4-43.9175.9-64.5172.863.5-153.40.4111.4V42 L43 E89 W100 P102 S103 E104 T105 A110 R111 Y160V42-R107 HydrophobicContact CG2-CB 3.92Å; L43-R107 PolarHBondContact O-NH1 3.11Å; L43-R107 PolarHBondContact O-NH2 3.27Å; E89-R107 IonicContact OE1-NE 3.13Å; E89-R107 PolarHBondContact OE1-NE 3.08Å; E89-R107 IonicContact OE1-NH2 2.91Å; E89-R107 IonicContact OE2-CZ 3.45Å; E89-R107 IonicContact OE2-NE 3.74Å; E89-R107 PolarHBondContact OE2-NE 3.09Å; E89-R107 IonicContact OE2-NH2 3.89Å; E89-R107 PolarHBondContact OE2-NH2 3.04Å; W100-R107 HydrophobicContact CH2-CG 4.35Å; W100-R107 HydrophobicContact CZ2-CG 4.37Å; P102-R107 HydrophobicContact CB-CG 4.13Å; P102-R107 HydrophobicContact CG-CG 3.82Å; S103-R107 WeakPolarHBondContact O-CG 3.32Å; S103-R107 PolarHBondContact O-N 3.5Å; E104-R107 PolarHBondContact O-N 2.76Å; T105-R107 VanDerWaalsContact C-N 3.32Å; T105-R107 PolarHBondContact O-N 3.23Å; R107-A110 PolarHBondContact O-N 2.9Å; R107-R111 WeakPolarHBondContact O-CG 3.47Å; R107-R111 PolarHBondContact O-N 2.92Å; R107-Y160 WeakPolarHBondContact CG-OH 3.4Å
108L98.4Very high95Very high2 Ų243.9 Ų43.91%0.0123%0.227CC..Hα-helixtrans-64.2-45.9178.7-178.259.1000111.8V42 E104 T105 A110 R111 I112 V180 V199V42-L108 HydrophobicContact CG1-CB 4.04Å; E104-L108 PolarHBondContact O-N 3.35Å; T105-L108 PolarHBondContact O-N 2.86Å; L108-A110 PolarHBondContact O-N 3.15Å; L108-R111 PolarHBondContact O-N 3.36Å; L108-I112 HydrophobicContact CD1-CD1 4.49Å; L108-I112 HydrophobicContact CG-CD1 4.08Å; L108-I112 WeakPolarHBondContact O-CG1 3.48Å; L108-I112 PolarHBondContact O-N 3.19Å; L108-V180 HydrophobicContact CD2-CG1 3.94Å; L108-V199 HydrophobicContact CD2-CG1 4.36Å
109V97.8Very high94.7Very high0 Ų036.5 Ų36.50%020%0.196CC..Hα-helixtrans-60.7-44.1176.6167.20000111.3T105 V106 R111 I112 I113 L156 L176 F177 V180T105-V109 WeakPolarHBondContact O-CG2 3.05Å; T105-V109 PolarHBondContact O-N 2.81Å; V106-V109 PolarHBondContact O-N 2.93Å; V109-R111 VanDerWaalsContact C-N 3.28Å; V109-R111 PolarHBondContact O-N 3.11Å; V109-I112 PolarHBondContact O-N 3.49Å; V109-I112 VanDerWaalsContact O-N 3.09Å; V109-I113 HydrophobicContact CG1-CD1 3.86Å; V109-I113 HydrophobicContact CG1-CG1 4.39Å; V109-I113 WeakPolarHBondContact O-CG1 3.44Å; V109-I113 PolarHBondContact O-N 2.69Å; V109-L156 HydrophobicContact CG1-CD2 4.14Å; V109-L176 HydrophobicContact CG1-CD2 3.87Å; V109-L176 HydrophobicContact CG1-CG 4.29Å; V109-F177 HydrophobicContact CB-CE1 4.04Å; V109-F177 HydrophobicContact CB-CZ 3.98Å; V109-F177 HydrophobicContact CG1-CD2 4.43Å; V109-F177 HydrophobicContact CG1-CE1 4.32Å; V109-F177 HydrophobicContact CG1-CE2 3.91Å; V109-F177 HydrophobicContact CG1-CZ 3.84Å; V109-F177 HydrophobicContact CG2-CD1 3.82Å; V109-F177 HydrophobicContact CG2-CE1 3.68Å; V109-F177 HydrophobicContact CG2-CG 4.3Å; V109-F177 HydrophobicContact CG2-CZ 4.07Å; V109-V180 HydrophobicContact CG2-CB 4.22Å; V109-V180 HydrophobicContact CG2-CG1 4.38Å; V109-V180 HydrophobicContact CG2-CG2 3.88Å
110A96.5Very high93.9Very high1 Ų137 Ų371%0.00820%0.204CC..Hα-helixtrans-57.1-41.7175.400000112.1V106 R107 L108 M114 L156 Y160 I164V106-A110 WeakPolarHBondContact O-CB 3.44Å; V106-A110 PolarHBondContact O-N 2.81Å; R107-A110 PolarHBondContact O-N 2.9Å; L108-A110 PolarHBondContact O-N 3.15Å; A110-M114 PolarHBondContact O-N 3.1Å; A110-M114 VanDerWaalsContact O-N 3.13Å; A110-L156 HydrophobicContact CB-CD1 3.75Å; A110-Y160 HydrophobicContact CB-CD1 3.95Å; A110-Y160 HydrophobicContact CB-CD2 4.12Å; A110-Y160 HydrophobicContact CB-CE1 3.99Å; A110-Y160 HydrophobicContact CB-CE2 4.17Å; A110-Y160 HydrophobicContact CB-CG 4Å; A110-I164 HydrophobicContact CB-CD1 4.19Å
111R96.6Very high93.5Very high3 Ų342.1 Ų42.11%0.01123%0.233CC..Hα-helixtrans-68.6-37.3175.4-66.9-179.5-177.4-141.7-2.1112.3S40 Y41 D82 M85 E89 R107 L108 V109 M114 K115S40-R111 VanDerWaalsContact OG-CB 3.23Å; S40-R111 WeakPolarHBondContact OG-CB 3.39Å; Y41-R111 WeakPolarHBondContact O-CD 3.48Å; Y41-R111 PolarHBondContact O-NH1 3.35Å; D82-R111 IonicContact OD1-NH1 3.62Å; M85-R111 HydrophobicContact CB-CG 4.24Å; M85-R111 HydrophobicContact SD-CB 4.04Å; M85-R111 HydrophobicContact SD-CG 4.3Å; E89-R111 IonicContact OE1-CZ 2.96Å; E89-R111 IonicContact OE1-NE 2.82Å; E89-R111 PolarHBondContact OE1-NE 3.44Å; E89-R111 IonicContact OE1-NH2 2.75Å; E89-R111 PolarHBondContact OE1-NH2 2.75Å; E89-R111 IonicContact OE2-NH2 2.86Å; E89-R111 PolarHBondContact OE2-NH2 2.99Å; R107-R111 WeakPolarHBondContact O-CG 3.47Å; R107-R111 PolarHBondContact O-N 2.92Å; L108-R111 PolarHBondContact O-N 3.36Å; V109-R111 VanDerWaalsContact C-N 3.28Å; V109-R111 PolarHBondContact O-N 3.11Å; R111-M114 PolarHBondContact O-N 2.99Å; R111-K115 WeakPolarHBondContact O-CB 3.35Å; R111-K115 PolarHBondContact O-N 3.49Å
112I96.8Very high93.3Very high0 Ų041.3 Ų41.30%022%0.216CC..Hα-helixtrans-62-48.3175-70.4164.6000110.8Y39 L108 V109 M114 K115 Q116 L131 L176 V180 V199Y39-I112 HydrophobicContact CD1-CG1 4.48Å; Y39-I112 HydrophobicContact CE1-CG1 4.41Å; Y39-I112 HydrophobicContact CE1-CG2 4.14Å; L108-I112 HydrophobicContact CD1-CD1 4.49Å; L108-I112 HydrophobicContact CG-CD1 4.08Å; L108-I112 WeakPolarHBondContact O-CG1 3.48Å; L108-I112 PolarHBondContact O-N 3.19Å; V109-I112 PolarHBondContact O-N 3.49Å; V109-I112 VanDerWaalsContact O-N 3.09Å; I112-M114 VanDerWaalsContact C-N 3.3Å; I112-M114 PolarHBondContact O-N 2.71Å; I112-K115 WeakPolarHBondContact O-CB 3.34Å; I112-K115 PolarHBondContact O-N 3.06Å; I112-K115 VanDerWaalsContact O-N 3.12Å; I112-Q116 HydrophobicContact CG2-CG 4.36Å; I112-Q116 WeakPolarHBondContact O-CG 3.03Å; I112-Q116 PolarHBondContact O-N 2.79Å; I112-L131 HydrophobicContact CD1-CD1 4.39Å; I112-L131 HydrophobicContact CG1-CD1 4.43Å; I112-L131 HydrophobicContact CG2-CD1 3.84Å; I112-L131 HydrophobicContact CG2-CD2 4.37Å; I112-L176 HydrophobicContact CG2-CD1 4.04Å; I112-L176 HydrophobicContact CG2-CD2 4.29Å; I112-V180 HydrophobicContact CD1-CG2 3.52Å; I112-V199 HydrophobicContact CD1-CG1 4.11Å; I112-V199 HydrophobicContact CD1-CG2 3.86Å; I112-V199 HydrophobicContact CG1-CG2 4.07Å
113I95.3Very high93.2Very high2 Ų241.3 Ų41.31%0.0122%0.216CC..Hα-helixtrans-58.1-44.9177.8-67.1166.9000110.2V109 K115 Q116 R117 L156 I164 L167 P168 L173 L176V109-I113 HydrophobicContact CG1-CD1 3.86Å; V109-I113 HydrophobicContact CG1-CG1 4.39Å; V109-I113 WeakPolarHBondContact O-CG1 3.44Å; V109-I113 PolarHBondContact O-N 2.69Å; I113-K115 PolarHBondContact O-N 3.4Å; I113-Q116 PolarHBondContact O-N 3.4Å; I113-R117 WeakPolarHBondContact O-CG 3.41Å; I113-R117 PolarHBondContact O-N 3.33Å; I113-L156 HydrophobicContact CD1-CD2 3.85Å; I113-I164 HydrophobicContact CG2-CG2 4.01Å; I113-L167 HydrophobicContact CD1-CD2 4.09Å; I113-P168 HydrophobicContact CD1-CG 4.37Å; I113-P168 HydrophobicContact CG1-CG 4.42Å; I113-L173 HydrophobicContact CD1-CD2 3.83Å; I113-L176 HydrophobicContact CD1-CD2 4.28Å; I113-L176 HydrophobicContact CG1-CD2 3.77Å
114M92.6Very high93.2Very high23 Ų2343 Ų4311%0.11323%0.225CC..Hα-helixtrans-64.8-40.1177.2-171.768.1-115.500112.2M85 L88 A110 R111 I112 R117 V118M85-M114 HydrophobicContact SD-CB 4.15Å; M85-M114 HydrophobicContact SD-CG 4.22Å; L88-M114 HydrophobicContact CD1-CB 3.72Å; L88-M114 HydrophobicContact CD1-CG 3.95Å; L88-M114 HydrophobicContact CD2-CG 4.44Å; L88-M114 HydrophobicContact CD2-SD 4.15Å; A110-M114 PolarHBondContact O-N 3.1Å; A110-M114 VanDerWaalsContact O-N 3.13Å; R111-M114 PolarHBondContact O-N 2.99Å; I112-M114 VanDerWaalsContact C-N 3.3Å; I112-M114 PolarHBondContact O-N 2.71Å; M114-R117 HydrophobicContact CE-CB 4.24Å; M114-R117 PolarHBondContact O-N 2.81Å; M114-V118 HydrophobicContact CE-CG1 3.52Å; M114-V118 PolarHBondContact O-N 3.39Å
115K93.1Very high93.2Very high51 Ų5141.4 Ų41.422%0.22222%0.219CC..Hα-helixtrans-62.5-45.3176.9-173.2111.3174.3-160.20111.9Y39 M85 R111 I112 I113 R117 V118 T119Y39-K115 HydrophobicContact CE1-CB 4.16Å; Y39-K115 HydrophobicContact CE1-CG 3.91Å; Y39-K115 HydrophobicContact CE2-CG 4.47Å; Y39-K115 VanDerWaalsContact O-CD 3.23Å; Y39-K115 WeakPolarHBondContact O-CD 3.49Å; Y39-K115 WeakPolarHBondContact O-CE 3.4Å; Y39-K115 PolarHBondContact O-NZ 2.87Å; M85-K115 HydrophobicContact CE-CB 3.91Å; M85-K115 HydrophobicContact CE-CD 3.97Å; M85-K115 HydrophobicContact CE-CG 4.49Å; R111-K115 WeakPolarHBondContact O-CB 3.35Å; R111-K115 PolarHBondContact O-N 3.49Å; I112-K115 WeakPolarHBondContact O-CB 3.34Å; I112-K115 PolarHBondContact O-N 3.06Å; I112-K115 VanDerWaalsContact O-N 3.12Å; I113-K115 PolarHBondContact O-N 3.4Å; K115-R117 PolarHBondContact O-N 3.38Å; K115-V118 WeakPolarHBondContact O-CG2 3.27Å; K115-V118 PolarHBondContact O-N 2.97Å; K115-T119 VanDerWaalsContact O-CB 3.28Å; K115-T119 WeakPolarHBondContact O-CB 3.28Å; K115-T119 PolarHBondContact O-N 3.37Å; K115-T119 PolarHBondContact O-OG1 3.29Å
116Q92.1Very high93.1Very high79 Ų7940.4 Ų40.437%0.36921%0.211SC..Hα-helixtrans-60.9-27.7178.6-73.6175.7-23.700112.8Y39 I112 I113Y39-Q116 WeakPolarHBondContact OH-CG 3.39Å; I112-Q116 HydrophobicContact CG2-CG 4.36Å; I112-Q116 WeakPolarHBondContact O-CG 3.03Å; I112-Q116 PolarHBondContact O-N 2.79Å; I113-Q116 PolarHBondContact O-N 3.4Å
117R87.7Confident93Very high95 Ų9543.4 Ų43.436%0.35822%0.223SC..Hα-helixtrans-76.3-34.9177.4-69.9169.8-179.8-144.2-4.4113.9I113 M114 K115 S165 D166I113-R117 WeakPolarHBondContact O-CG 3.41Å; I113-R117 PolarHBondContact O-N 3.33Å; M114-R117 HydrophobicContact CE-CB 4.24Å; M114-R117 PolarHBondContact O-N 2.81Å; K115-R117 PolarHBondContact O-N 3.38Å; R117-S165 PolarHBondContact NH1-O 3.27Å; R117-S165 PolarHBondContact NH2-O 2.86Å; R117-D166 VanDerWaalsContact NH2-C 3.26Å; R117-D166 PolarHBondContact NH2-O 2.76Å
118V85.6Confident93Very high92 Ų9244.3 Ų44.356%0.55823%0.228SC*.Hα-helixtrans-91.8-11.1-177.9-60.20000112.5M114 K115M114-V118 HydrophobicContact CE-CG1 3.52Å; M114-V118 PolarHBondContact O-N 3.39Å; K115-V118 WeakPolarHBondContact O-CG2 3.27Å; K115-V118 PolarHBondContact O-N 2.97Å
119T86.3Confident92.9Very high44 Ų4444.4 Ų44.427%0.2723%0.228SC..  trans-121.1102.6-174.4-41.30000109.6K115 D121 T123K115-T119 VanDerWaalsContact O-CB 3.28Å; K115-T119 WeakPolarHBondContact O-CB 3.28Å; K115-T119 PolarHBondContact O-N 3.37Å; K115-T119 PolarHBondContact O-OG1 3.29Å; T119-D121 VanDerWaalsContact CG2-O 3.29Å; T119-D121 WeakPolarHBondContact CG2-O 3.39Å; T119-T123 HydrophobicContact CG2-CG2 3.58Å
120T78.4Confident92.9Very high134 Ų13446.1 Ų46.182%0.82224%0.237SC*.  trans-88.6-24.3178.652.90000113
121D86.5Confident92.8Very high130 Ų13046.2 Ų46.270%0.69524%0.237SC*.SBendtrans-98.8160.6-179.9-66.4-34.5000111.5T119 T123T119-D121 VanDerWaalsContact CG2-O 3.29Å; T119-D121 WeakPolarHBondContact CG2-O 3.39Å; D121-T123 PolarHBondContact O-N 3.16Å
122R91Very high92.7Very high81 Ų8153.5 Ų53.531%0.30627%0.269SS..PPolyproline II helixtrans-55.9133.5172.4-167.6174.6-147.5-155.5-7.9110.9N3 E126 R127 L130N3-R122 VanDerWaalsContact CG-NH1 3.27Å; N3-R122 PolarHBondContact ND2-NH1 3.34Å; N3-R122 WeakPolarHBondContact OD1-CD 3.25Å; N3-R122 PolarHBondContact OD1-NH1 2.98Å; R122-E126 WeakPolarHBondContact CD-O 3.36Å; R122-E126 HydrophobicContact CG-CB 3.95Å; R122-E126 PolarHBondContact NE-O 3.06Å; R122-E126 PolarHBondContact NH2-O 2.88Å; R122-R127 VanDerWaalsContact CZ-C 3.48Å; R122-R127 PolarHBondContact NH1-O 3.03Å; R122-R127 PolarHBondContact NH2-O 3.18Å; R122-L130 HydrophobicContact CB-CD2 4.43Å; R122-L130 HydrophobicContact CG-CD2 3.64Å
123T94.6Very high92.7Very high13 Ų1356 Ų568%0.0828%0.281CS..PPolyproline II helixtrans-84.3162.2178.666.90000112.2Y39 T119 D121 S125 E126Y39-T123 HydrophobicContact CD2-CG2 4.01Å; Y39-T123 WeakPolarHBondContact CD2-OG1 3.17Å; Y39-T123 HydrophobicContact CE2-CG2 3.8Å; T119-T123 HydrophobicContact CG2-CG2 3.58Å; D121-T123 PolarHBondContact O-N 3.16Å; T123-S125 PolarHBondContact O-N 2.91Å; T123-S125 VanDerWaalsContact O-N 3.12Å; T123-S125 PolarHBondContact OG1-N 3.17Å; T123-E126 WeakPolarHBondContact CB-OE2 3.28Å; T123-E126 WeakPolarHBondContact CG2-OE2 3.27Å; T123-E126 PolarHBondContact N-OE2 2.92Å; T123-E126 PolarHBondContact O-N 3.27Å; T123-E126 VanDerWaalsContact O-N 3.11Å; T123-E126 WeakPolarHBondContact OG1-CG 3.37Å; T123-E126 PolarHBondContact OG1-OE2 3.32Å
124P95.8Very high92.9Very high78 Ų7856.3 Ų56.351%0.50628%0.282SS..THydrogen-bonded Turntrans-59.6-16.5170.3-25.335.7000114.8P37 E126P37-P124 HydrophobicContact CG-CB 4.17Å; P124-E126 VanDerWaalsContact C-N 3.29Å
125S97.3Very high93.1Very high4 Ų459 Ų593%0.02830%0.295CS..THydrogen-bonded Turntrans-81.2-9.5177.9-49.60000113.6P37 Y39 T123 P201 D202P37-S125 WeakPolarHBondContact O-CB 3.31Å; P37-S125 PolarHBondContact O-OG 2.85Å; Y39-S125 PolarHBondContact N-OG 3.26Å; T123-S125 PolarHBondContact O-N 2.91Å; T123-S125 VanDerWaalsContact O-N 3.12Å; T123-S125 PolarHBondContact OG1-N 3.17Å; S125-P201 WeakPolarHBondContact O-CB 3.49Å; S125-P201 WeakPolarHBondContact O-CD 3.34Å; S125-D202 PolarHBondContact O-N 2.87Å; S125-D202 VanDerWaalsContact O-N 3.12Å
126E96.8Very high93.3Very high14 Ų1456.9 Ų56.97%0.06529%0.286CS..  trans-123.434.7-168.1-67.5172.1111.300111.9Y39 R122 T123 P124 L128 L129 L130 L131 P201 D202Y39-E126 HydrophobicContact CD2-CG 4.1Å; R122-E126 WeakPolarHBondContact CD-O 3.36Å; R122-E126 HydrophobicContact CG-CB 3.95Å; R122-E126 PolarHBondContact NE-O 3.06Å; R122-E126 PolarHBondContact NH2-O 2.88Å; T123-E126 WeakPolarHBondContact CB-OE2 3.28Å; T123-E126 WeakPolarHBondContact CG2-OE2 3.27Å; T123-E126 PolarHBondContact N-OE2 2.92Å; T123-E126 PolarHBondContact O-N 3.27Å; T123-E126 VanDerWaalsContact O-N 3.11Å; T123-E126 WeakPolarHBondContact OG1-CG 3.37Å; T123-E126 PolarHBondContact OG1-OE2 3.32Å; P124-E126 VanDerWaalsContact C-N 3.29Å; E126-L128 VanDerWaalsContact C-N 3.29Å; E126-L128 PolarHBondContact O-N 2.93Å; E126-L129 VanDerWaalsContact CA-O 3.24Å; E126-L129 WeakPolarHBondContact CA-O 3.46Å; E126-L129 VanDerWaalsContact CB-O 3.3Å; E126-L129 WeakPolarHBondContact CB-O 3.41Å; E126-L130 HydrophobicContact CB-CD2 4.11Å; E126-L130 WeakPolarHBondContact OE1-CA 3.33Å; E126-L131 PolarHBondContact OE1-N 3.45Å; E126-P201 HydrophobicContact CB-CB 4.47Å; E126-P201 HydrophobicContact CG-CB 3.76Å; E126-P201 HydrophobicContact CG-CG 3.67Å; E126-D202 VanDerWaalsContact C-OD1 3.24Å
127R96.6Very high93.5Very high63 Ų6354.8 Ų54.824%0.23828%0.277CS..SBendtrans-64.5-27.9-174.3-62.9166.2-68.4-175.8-6.2114.1I6 A35 R122 D202I6-R127 HydrophobicContact CG1-CB 4.24Å; A35-R127 PolarHBondContact O-NH2 2.94Å; R122-R127 VanDerWaalsContact CZ-C 3.48Å; R122-R127 PolarHBondContact NH1-O 3.03Å; R122-R127 PolarHBondContact NH2-O 3.18Å; R127-D202 WeakPolarHBondContact CB-OD2 3.37Å; R127-D202 IonicContact CZ-OD2 3.79Å; R127-D202 VanDerWaalsContact N-CG 3.26Å; R127-D202 PolarHBondContact N-OD1 2.94Å; R127-D202 PolarHBondContact N-OD2 3.46Å; R127-D202 IonicContact NE-OD2 3.31Å; R127-D202 PolarHBondContact NE-OD2 3.46Å; R127-D202 IonicContact NH2-OD2 2.81Å; R127-D202 PolarHBondContact NH2-OD2 3.04Å
128L97.3Very high93.8Very high21 Ų2154 Ų5411%0.1128%0.279CS..SBendtrans-119.6-30.5-179.6-65.4-177.5000113.6I6 R11 L21 E126 D202 L205I6-L128 HydrophobicContact CB-CD1 4.04Å; I6-L128 HydrophobicContact CD1-CD1 3.75Å; I6-L128 HydrophobicContact CD1-CG 4.09Å; I6-L128 HydrophobicContact CG1-CD1 3.89Å; I6-L128 HydrophobicContact CG1-CG 4Å; R11-L128 HydrophobicContact CB-CB 4.48Å; R11-L128 WeakPolarHBondContact CD-O 3.28Å; R11-L128 PolarHBondContact NH1-O 3.27Å; R11-L128 VanDerWaalsContact NH1-O 3.13Å; L21-L128 HydrophobicContact CD1-CD1 3.45Å; L21-L128 VanDerWaalsContact CD1-CD1 3.45Å; E126-L128 VanDerWaalsContact C-N 3.29Å; E126-L128 PolarHBondContact O-N 2.93Å; L128-D202 PolarHBondContact N-OD1 3.45Å; L128-L205 HydrophobicContact CB-CD2 3.72Å; L128-L205 HydrophobicContact CD1-CD2 4.19Å
129L97.6Very high94.2Very high4 Ų456 Ų562%0.02129%0.287CS..  trans-130.5125.7179.4-17663.6000110.5E126 E133 F134 P201 D202 A204 L205E126-L129 VanDerWaalsContact CA-O 3.24Å; E126-L129 WeakPolarHBondContact CA-O 3.46Å; E126-L129 VanDerWaalsContact CB-O 3.3Å; E126-L129 WeakPolarHBondContact CB-O 3.41Å; L129-E133 HydrophobicContact CD1-CB 3.7Å; L129-F134 HydrophobicContact CD2-CD1 3.81Å; L129-F134 HydrophobicContact CD2-CE1 3.73Å; L129-F134 HydrophobicContact CG-CD1 4.14Å; L129-F134 HydrophobicContact CG-CE1 4.11Å; L129-P201 WeakPolarHBondContact CD2-O 3.25Å; L129-P201 WeakPolarHBondContact O-CB 3.25Å; L129-D202 PolarHBondContact N-OD1 3.13Å; L129-A204 HydrophobicContact CD2-CB 4.46Å; L129-L205 HydrophobicContact CB-CB 4.29Å; L129-L205 HydrophobicContact CD2-CB 4.1Å; L129-L205 HydrophobicContact CD2-CD1 4.42Å
130L96.2Very high94.6Very high36 Ų3658.3 Ų58.319%0.18829%0.293CS..  trans-81.2148.7171.8-58.1171.2000110R122 E126 K132 E133R122-L130 HydrophobicContact CB-CD2 4.43Å; R122-L130 HydrophobicContact CG-CD2 3.64Å; E126-L130 HydrophobicContact CB-CD2 4.11Å; E126-L130 WeakPolarHBondContact OE1-CA 3.33Å; L130-K132 VanDerWaalsContact C-N 3.26Å; L130-K132 HydrophobicContact CB-CG 3.92Å; L130-K132 VanDerWaalsContact CD1-CE 3.41Å; L130-K132 HydrophobicContact CD1-CG 4.39Å; L130-K132 PolarHBondContact O-N 2.92Å; L130-E133 HydrophobicContact CB-CB 4.36Å; L130-E133 HydrophobicContact CB-CG 3.98Å; L130-E133 WeakPolarHBondContact CB-OE2 3.2Å; L130-E133 HydrophobicContact CD1-CG 4.45Å; L130-E133 WeakPolarHBondContact CG-OE2 3.47Å; L130-E133 PolarHBondContact N-OE2 3.01Å; L130-E133 WeakPolarHBondContact O-CA 3.29Å; L130-E133 VanDerWaalsContact O-CB 3.32Å; L130-E133 WeakPolarHBondContact O-CB 3.39Å; L130-E133 PolarHBondContact O-N 2.87Å
131L95.5Very high95.2Very high3 Ų353.4 Ų53.42%0.01626%0.261CS..G310 helixtrans-59-40.7175.3-176156.8000111.5Y39 I112 E126 E133 F134 L176 V199 P201Y39-L131 HydrophobicContact CD1-CD1 3.54Å; Y39-L131 HydrophobicContact CE1-CD1 3.47Å; Y39-L131 VanDerWaalsContact CE1-CD1 3.47Å; Y39-L131 HydrophobicContact CG-CD1 4.18Å; I112-L131 HydrophobicContact CD1-CD1 4.39Å; I112-L131 HydrophobicContact CG1-CD1 4.43Å; I112-L131 HydrophobicContact CG2-CD1 3.84Å; I112-L131 HydrophobicContact CG2-CD2 4.37Å; E126-L131 PolarHBondContact OE1-N 3.45Å; L131-E133 PolarHBondContact O-N 3.23Å; L131-F134 HydrophobicContact CG-CD2 4.13Å; L131-F134 HydrophobicContact CG-CE2 4.08Å; L131-F134 WeakPolarHBondContact O-CB 3.41Å; L131-F134 VanDerWaalsContact O-CG 3.24Å; L131-F134 WeakPolarHBondContact O-CG 3.24Å; L131-F134 PolarHBondContact O-N 2.77Å; L131-L176 HydrophobicContact CD2-CD1 4.02Å; L131-V199 HydrophobicContact CD1-CG2 4.31Å; L131-P201 HydrophobicContact CB-CG 4.43Å
132K94.5Very high95.5Very high156 Ų15650.2 Ų50.268%0.67824%0.244SC*.G310 helixtrans-63.9-11175.766.4169.4178.3178.40114.4L130L130-K132 VanDerWaalsContact C-N 3.26Å; L130-K132 HydrophobicContact CB-CG 3.92Å; L130-K132 VanDerWaalsContact CD1-CE 3.41Å; L130-K132 HydrophobicContact CD1-CG 4.39Å; L130-K132 PolarHBondContact O-N 2.92Å
133E96.6Very high95.7Very high52 Ų5250.3 Ų50.324%0.24326%0.257CS..G310 helixtrans-94.7-1.3174.4-69.5-179.799.900111.8R11 R19 L129 L130 L131R11-E133 IonicContact CZ-OE1 2.66Å; R11-E133 VanDerWaalsContact CZ-OE1 3.31Å; R11-E133 VanDerWaalsContact NH1-CD 3.34Å; R11-E133 IonicContact NH1-OE1 2.71Å; R11-E133 PolarHBondContact NH1-OE1 3.23Å; R11-E133 IonicContact NH1-OE2 2.83Å; R11-E133 PolarHBondContact NH1-OE2 2.87Å; R11-E133 VanDerWaalsContact NH1-OE2 3.15Å; R11-E133 IonicContact NH2-OE1 3.2Å; R11-E133 PolarHBondContact NH2-OE1 3.46Å; R19-E133 PolarHBondContact NH1-O 3.03Å; R19-E133 PolarHBondContact NH2-O 2.58Å; L129-E133 HydrophobicContact CD1-CB 3.7Å; L130-E133 HydrophobicContact CB-CB 4.36Å; L130-E133 HydrophobicContact CB-CG 3.98Å; L130-E133 WeakPolarHBondContact CB-OE2 3.2Å; L130-E133 HydrophobicContact CD1-CG 4.45Å; L130-E133 WeakPolarHBondContact CG-OE2 3.47Å; L130-E133 PolarHBondContact N-OE2 3.01Å; L130-E133 WeakPolarHBondContact O-CA 3.29Å; L130-E133 VanDerWaalsContact O-CB 3.32Å; L130-E133 WeakPolarHBondContact O-CB 3.39Å; L130-E133 PolarHBondContact O-N 2.87Å; L131-E133 PolarHBondContact O-N 3.23Å
134F98.4Very high95.6Very high9 Ų956 Ų564%0.03928%0.283CS..  trans-56.2141.1179.8-80.43.1000112.2L129 L131 Q179 N183 V199 P201 A204L129-F134 HydrophobicContact CD2-CD1 3.81Å; L129-F134 HydrophobicContact CD2-CE1 3.73Å; L129-F134 HydrophobicContact CG-CD1 4.14Å; L129-F134 HydrophobicContact CG-CE1 4.11Å; L131-F134 HydrophobicContact CG-CD2 4.13Å; L131-F134 HydrophobicContact CG-CE2 4.08Å; L131-F134 WeakPolarHBondContact O-CB 3.41Å; L131-F134 VanDerWaalsContact O-CG 3.24Å; L131-F134 WeakPolarHBondContact O-CG 3.24Å; L131-F134 PolarHBondContact O-N 2.77Å; F134-Q179 HydrophobicContact CB-CB 3.84Å; F134-Q179 HydrophobicContact CB-CG 3.67Å; F134-Q179 HydrophobicContact CD2-CB 4.27Å; F134-Q179 PolarHBondContact O-NE2 3.42Å; F134-Q179 VanDerWaalsContact O-NE2 3.09Å; F134-N183 HydrophobicContact CD2-CB 3.51Å; F134-N183 HydrophobicContact CE1-CB 4.5Å; F134-N183 HydrophobicContact CE2-CB 3.53Å; F134-N183 HydrophobicContact CG-CB 4.02Å; F134-N183 HydrophobicContact CZ-CB 4.03Å; F134-V199 HydrophobicContact CE2-CB 4.48Å; F134-V199 HydrophobicContact CE2-CG1 4.3Å; F134-P201 HydrophobicContact CE1-CB 3.73Å; F134-P201 HydrophobicContact CE1-CG 4.22Å; F134-P201 HydrophobicContact CZ-CB 3.85Å; F134-P201 HydrophobicContact CZ-CG 3.86Å; F134-A204 HydrophobicContact CE1-CB 4Å; F134-A204 HydrophobicContact CZ-CB 4.03Å
135E97.8Very high95.4Very high80 Ų8054 Ų5437%0.37427%0.266SS..  trans-71.2136.2171.6-179.756-105.100109.4H137 N183E135-H137 WeakPolarHBondContact CG-CE1 3.31Å; E135-H137 VanDerWaalsContact CG-NE2 3.29Å; E135-H137 WeakPolarHBondContact CG-NE2 3.38Å; E135-H137 IonicContact OE1-CE1 2.95Å; E135-H137 IonicContact OE1-CG 3.32Å; E135-H137 PolarHBondContact OE1-N 3.22Å; E135-H137 IonicContact OE1-ND1 3.79Å; E135-H137 PolarHBondContact OE1-ND1 3.01Å; E135-N183 PolarHBondContact O-ND2 3.08Å
136A96.8Very high95.2Very high6 Ų658.7 Ų58.75%0.0529%0.288CS..  trans-118.5-19.5-173.900000112.2L138 E175 A178 Q179A136-L138 HydrophobicContact CB-CD1 4.48Å; A136-L138 HydrophobicContact CB-CD2 4.35Å; A136-L138 HydrophobicContact CB-CG 3.89Å; A136-L138 PolarHBondContact O-N 3.06Å; A136-L138 VanDerWaalsContact O-N 3.08Å; A136-E175 HydrophobicContact CB-CG 4.29Å; A136-A178 HydrophobicContact CB-CB 3.97Å; A136-A178 WeakPolarHBondContact O-CB 3.37Å; A136-Q179 HydrophobicContact CB-CG 3.8Å
137H95.9Very high95.2Very high35 Ų3564.7 Ų64.716%0.16232%0.316CS..  trans49.634.9-178.9-67.2-45.7000114.2E135 D139 K140 M141 F260E135-H137 WeakPolarHBondContact CG-CE1 3.31Å; E135-H137 VanDerWaalsContact CG-NE2 3.29Å; E135-H137 WeakPolarHBondContact CG-NE2 3.38Å; E135-H137 IonicContact OE1-CE1 2.95Å; E135-H137 IonicContact OE1-CG 3.32Å; E135-H137 PolarHBondContact OE1-N 3.22Å; E135-H137 IonicContact OE1-ND1 3.79Å; E135-H137 PolarHBondContact OE1-ND1 3.01Å; H137-D139 PolarHBondContact O-N 3.27Å; H137-D139 VanDerWaalsContact O-N 3.16Å; H137-K140 HydrophobicContact CB-CB 4.48Å; H137-K140 PolarHBondContact O-N 3.27Å; H137-M141 PolarHBondContact O-N 3.41Å; H137-F260 HydrophobicContact CB-CB 4.41Å; H137-F260 HydrophobicContact CB-CD2 3.46Å; H137-F260 VanDerWaalsContact CB-CD2 3.46Å; H137-F260 HydrophobicContact CB-CE2 3.75Å; H137-F260 HydrophobicContact CB-CG 3.95Å; H137-F260 HydrophobicContact CB-CZ 4.44Å; H137-F260 AromaticContact CD2-CD2 3.43Å; H137-F260 VanDerWaalsContact CD2-CD2 3.43Å; H137-F260 WeakPolarHBondContact CD2-CD2 3.32Å; H137-F260 AromaticContact CG-CD2 3.64Å
138L94.4Very high95Very high78 Ų7866.7 Ų66.741%0.40833%0.33SS..G310 helixtrans-57.7-31-179.5-65.8179.4000112.3A136 K140 M141 T174 E175 A178A136-L138 HydrophobicContact CB-CD1 4.48Å; A136-L138 HydrophobicContact CB-CD2 4.35Å; A136-L138 HydrophobicContact CB-CG 3.89Å; A136-L138 PolarHBondContact O-N 3.06Å; A136-L138 VanDerWaalsContact O-N 3.08Å; L138-K140 PolarHBondContact O-N 3.44Å; L138-M141 HydrophobicContact CD2-CE 4.46Å; L138-M141 HydrophobicContact CD2-SD 4.02Å; L138-T174 HydrophobicContact CD2-CG2 4.17Å; L138-E175 HydrophobicContact CD1-CB 4.15Å; L138-E175 HydrophobicContact CD1-CG 4.18Å; L138-A178 HydrophobicContact CD2-CB 3.58Å
139D94.4Very high94.8Very high135 Ų13566 Ų6672%0.72233%0.327SS*.G310 helixtrans-72.1-1217864.9-45.9000114H137H137-D139 PolarHBondContact O-N 3.27Å; H137-D139 VanDerWaalsContact O-N 3.16Å
140K93.8Very high94.7Very high93 Ų9370.2 Ų70.240%0.40435%0.346SS..G310 helixtrans-116.24.2-177.1-55.9-179.5-172.1169.80113.3H137 L138 F260H137-K140 HydrophobicContact CB-CB 4.48Å; H137-K140 PolarHBondContact O-N 3.27Å; L138-K140 PolarHBondContact O-N 3.44Å; K140-F260 HydrophobicContact CB-CB 4.25Å; K140-F260 HydrophobicContact CB-CD1 3.58Å; K140-F260 HydrophobicContact CB-CE1 4.14Å; K140-F260 HydrophobicContact CB-CG 4.07Å; K140-F260 HydrophobicContact CD-CB 3.45Å; K140-F260 VanDerWaalsContact CD-CB 3.45Å; K140-F260 HydrophobicContact CD-CD1 4.36Å; K140-F260 HydrophobicContact CD-CG 4.13Å; K140-F260 PolarHBondContact NZ-O 3.06Å; K140-F260 WeakPolarHBondContact O-CE1 3.26Å
141M91.3Very high94.8Very high30 Ų3071.2 Ų71.215%0.14836%0.36CS..  trans-67.6134.3177.5-68.5-162.2151.700110.9H137 L138 E146 N149 A178H137-M141 PolarHBondContact O-N 3.41Å; L138-M141 HydrophobicContact CD2-CE 4.46Å; L138-M141 HydrophobicContact CD2-SD 4.02Å; M141-E146 HydrophobicContact CB-CG 4.12Å; M141-N149 WeakPolarHBondContact CE-ND2 3.28Å; M141-N149 PolarHBondContact SD-ND2 3.34Å; M141-A178 HydrophobicContact CE-CB 3.31Å; M141-A178 HydrophobicContact SD-CB 4.33Å
142D92.9Very high94.9Very high64 Ų6472.5 Ų72.534%0.34237%0.367SS..  trans-91.9168.5169.359.845.9000110.4E144 K145 E146D142-E144 PolarHBondContact O-N 3.06Å; D142-E144 PolarHBondContact OD1-N 3.45Å; D142-K145 PolarHBondContact O-N 2.8Å; D142-K145 WeakPolarHBondContact OD1-CB 3.48Å; D142-K145 WeakPolarHBondContact OD1-CG 3.47Å; D142-K145 PolarHBondContact OD1-N 3.28Å; D142-K145 IonicContact OD1-NZ 3.89Å; D142-K145 IonicContact OD2-NZ 3.88Å; D142-K145 PolarHBondContact OD2-NZ 3.06Å; D142-E146 WeakPolarHBondContact O-CG 3.41Å; D142-E146 PolarHBondContact O-N 2.56Å
143S94.2Very high95Very high83 Ų8365.3 Ų65.358%0.5834%0.336SS*.Hα-helixtrans-61-31.4-177.355.40000113.5E147S143-E147 WeakPolarHBondContact O-CB 3.39Å; S143-E147 VanDerWaalsContact O-CG 3.31Å; S143-E147 WeakPolarHBondContact O-CG 3.35Å; S143-E147 PolarHBondContact O-N 2.91Å
144E93.4Very high95Very high133 Ų13365.6 Ų65.662%0.62135%0.348SS*.Hα-helixtrans-69-45.5179.1-177.6176.1-172.700110.6D142 E146 E147 L148D142-E144 PolarHBondContact O-N 3.06Å; D142-E144 PolarHBondContact OD1-N 3.45Å; E144-E146 VanDerWaalsContact C-N 3.33Å; E144-E146 PolarHBondContact O-N 3.08Å; E144-E147 PolarHBondContact O-N 3.13Å; E144-L148 WeakPolarHBondContact O-CG 3.37Å; E144-L148 PolarHBondContact O-N 3.15Å
145K92.6Very high95Very high35 Ų3566.2 Ų66.215%0.15235%0.354CS..Hα-helixtrans-65.8-36.5176.1-69.1177.6-178.8700112.1D142 L148 N149 D257 F260D142-K145 PolarHBondContact O-N 2.8Å; D142-K145 WeakPolarHBondContact OD1-CB 3.48Å; D142-K145 WeakPolarHBondContact OD1-CG 3.47Å; D142-K145 PolarHBondContact OD1-N 3.28Å; D142-K145 IonicContact OD1-NZ 3.89Å; D142-K145 IonicContact OD2-NZ 3.88Å; D142-K145 PolarHBondContact OD2-NZ 3.06Å; K145-L148 PolarHBondContact O-N 2.81Å; K145-N149 WeakPolarHBondContact O-CB 3.38Å; K145-N149 PolarHBondContact O-N 3.46Å; K145-D257 WeakPolarHBondContact CE-O 3.46Å; K145-D257 IonicContact NZ-OD1 3.63Å; K145-D257 PolarHBondContact NZ-OD1 3.26Å; K145-F260 HydrophobicContact CD-CE1 4.05Å; K145-F260 HydrophobicContact CD-CZ 3.88Å
146E92.7Very high94.9Very high103 Ų10362.4 Ų62.448%0.48134%0.337SS..Hα-helixtrans-62.1-47.2173-72.9178.8168.500111.7M141 D142 E144 L148 N149 Q150M141-E146 HydrophobicContact CB-CG 4.12Å; D142-E146 WeakPolarHBondContact O-CG 3.41Å; D142-E146 PolarHBondContact O-N 2.56Å; E144-E146 VanDerWaalsContact C-N 3.33Å; E144-E146 PolarHBondContact O-N 3.08Å; E146-L148 VanDerWaalsContact C-N 3.35Å; E146-L148 PolarHBondContact O-N 3.46Å; E146-N149 PolarHBondContact O-N 3.47Å; E146-Q150 VanDerWaalsContact O-CG 3.31Å; E146-Q150 WeakPolarHBondContact O-CG 3.31Å; E146-Q150 PolarHBondContact O-N 3.28Å
147E95.3Very high94.9Very high140 Ų14065.2 Ų65.265%0.65435%0.348SS*.Hα-helixtrans-60.8-41.8177.2-76.6177.2-168.800112.3S143 E144 Q150 A151S143-E147 WeakPolarHBondContact O-CB 3.39Å; S143-E147 VanDerWaalsContact O-CG 3.31Å; S143-E147 WeakPolarHBondContact O-CG 3.35Å; S143-E147 PolarHBondContact O-N 2.91Å; E144-E147 PolarHBondContact O-N 3.13Å; E147-Q150 PolarHBondContact O-N 2.8Å; E147-A151 PolarHBondContact O-N 3.13Å
148L93.5Very high94.8Very high104 Ų10468.1 Ų68.155%0.54536%0.362SS..Hα-helixtrans-62-46.4175.1-71173.2000111.8E144 K145 E146 Q150 A151 D152E144-L148 WeakPolarHBondContact O-CG 3.37Å; E144-L148 PolarHBondContact O-N 3.15Å; K145-L148 PolarHBondContact O-N 2.81Å; E146-L148 VanDerWaalsContact C-N 3.35Å; E146-L148 PolarHBondContact O-N 3.46Å; L148-Q150 VanDerWaalsContact C-N 3.31Å; L148-Q150 PolarHBondContact O-N 3.04Å; L148-A151 PolarHBondContact O-N 3.12Å; L148-D152 PolarHBondContact O-N 3.33Å
149N93.3Very high94.8Very high6 Ų665 Ų653%0.03235%0.345CS..Hα-helixtrans-61.1-40.9176.3-76.4-12.2000111.5M141 K145 E146 D152 I153 N181M141-N149 WeakPolarHBondContact CE-ND2 3.28Å; M141-N149 PolarHBondContact SD-ND2 3.34Å; K145-N149 WeakPolarHBondContact O-CB 3.38Å; K145-N149 PolarHBondContact O-N 3.46Å; E146-N149 PolarHBondContact O-N 3.47Å; N149-D152 PolarHBondContact O-N 3.06Å; N149-I153 VanDerWaalsContact O-CG1 3.24Å; N149-I153 WeakPolarHBondContact O-CG1 3.48Å; N149-I153 PolarHBondContact O-N 3.33Å; N149-N181 PolarHBondContact OD1-ND2 3.07Å; N149-N181 VanDerWaalsContact OD1-ND2 3.16Å
150Q95.6Very high94.7Very high93 Ų9358.6 Ų58.644%0.43531%0.311SS..Hα-helixtrans-65.5-38.2177-70.4-60.5-27.100112.3E146 E147 L148 I153 A154E146-Q150 VanDerWaalsContact O-CG 3.31Å; E146-Q150 WeakPolarHBondContact O-CG 3.31Å; E146-Q150 PolarHBondContact O-N 3.28Å; E147-Q150 PolarHBondContact O-N 2.8Å; L148-Q150 VanDerWaalsContact C-N 3.31Å; L148-Q150 PolarHBondContact O-N 3.04Å; Q150-I153 PolarHBondContact O-N 3.16Å; Q150-A154 WeakPolarHBondContact O-CB 3.19Å; Q150-A154 PolarHBondContact O-N 2.79Å
151A97.3Very high94.5Very high58 Ų5856.9 Ų56.948%0.47931%0.311SS..Hα-helixtrans-63-42.4173.700000111.7E147 L148 A154 A155E147-A151 PolarHBondContact O-N 3.13Å; L148-A151 PolarHBondContact O-N 3.12Å; A151-A154 PolarHBondContact O-N 3Å; A151-A155 WeakPolarHBondContact O-CB 3.35Å; A151-A155 PolarHBondContact O-N 3.49Å
152D97.7Very high94.1Very high30 Ų3063.2 Ų63.216%0.1634%0.337CS..Hα-helixtrans-66-40.2175.8-91.3-15.7000112.1S103 V106 L148 N149 A155 L156 F177S103-D152 PolarHBondContact OG-OD1 2.84Å; V106-D152 HydrophobicContact CG2-CB 3.68Å; V106-D152 VanDerWaalsContact CG2-O 3.31Å; V106-D152 WeakPolarHBondContact CG2-O 3.46Å; V106-D152 VanDerWaalsContact CG2-OD1 3.25Å; V106-D152 WeakPolarHBondContact CG2-OD1 3.48Å; L148-D152 PolarHBondContact O-N 3.33Å; N149-D152 PolarHBondContact O-N 3.06Å; D152-A155 PolarHBondContact O-N 3.19Å; D152-L156 PolarHBondContact O-N 3.49Å; D152-F177 HydrophobicContact CB-CD1 3.95Å; D152-F177 HydrophobicContact CB-CE1 3.56Å; D152-F177 HydrophobicContact CB-CZ 3.92Å
153I97.3Very high93.4Very high4 Ų463.1 Ų63.12%0.02133%0.334CS..Hα-helixtrans-60.9-47.7173.4-71167.6000110.4N149 Q150 A155 L156 H157 L173 T174 F177N149-I153 VanDerWaalsContact O-CG1 3.24Å; N149-I153 WeakPolarHBondContact O-CG1 3.48Å; N149-I153 PolarHBondContact O-N 3.33Å; Q150-I153 PolarHBondContact O-N 3.16Å; I153-A155 VanDerWaalsContact C-N 3.29Å; I153-A155 PolarHBondContact O-N 2.89Å; I153-L156 WeakPolarHBondContact O-CB 3.47Å; I153-L156 PolarHBondContact O-N 2.93Å; I153-L156 VanDerWaalsContact O-N 3.14Å; I153-H157 PolarHBondContact O-CD2 3.42Å; I153-H157 PolarHBondContact O-N 2.73Å; I153-L173 HydrophobicContact CD1-CB 4.07Å; I153-L173 HydrophobicContact CG1-CB 4.05Å; I153-L173 HydrophobicContact CG2-CD1 4.04Å; I153-T174 WeakPolarHBondContact CD1-OG1 3.27Å; I153-F177 HydrophobicContact CD1-CD2 4.41Å; I153-F177 HydrophobicContact CG1-CD2 3.63Å; I153-F177 HydrophobicContact CG1-CE2 3.68Å
154A97.1Very high92.8Very high59 Ų5959.2 Ų59.249%0.48831%0.307SS..Hα-helixtrans-59.3-41176.600000111.7Q150 A151 H157 H158Q150-A154 WeakPolarHBondContact O-CB 3.19Å; Q150-A154 PolarHBondContact O-N 2.79Å; A151-A154 PolarHBondContact O-N 3Å; A154-H157 PolarHBondContact O-N 3.02Å; A154-H158 VanDerWaalsContact O-CB 3.31Å; A154-H158 WeakPolarHBondContact O-CB 3.48Å; A154-H158 PolarHBondContact O-N 2.95Å
155A97.1Very high92Very high22 Ų2256.6 Ų56.618%0.18230%0.303CS..Hα-helixtrans-65-40.617500000112.3V106 A151 D152 I153 H158 F159V106-A155 HydrophobicContact CG1-CB 4.48Å; V106-A155 HydrophobicContact CG2-CB 4.15Å; A151-A155 WeakPolarHBondContact O-CB 3.35Å; A151-A155 PolarHBondContact O-N 3.49Å; D152-A155 PolarHBondContact O-N 3.19Å; I153-A155 VanDerWaalsContact C-N 3.29Å; I153-A155 PolarHBondContact O-N 2.89Å; A155-H158 PolarHBondContact O-N 3.38Å; A155-F159 HydrophobicContact CB-CD2 4.3Å; A155-F159 HydrophobicContact CB-CE2 4.37Å; A155-F159 WeakPolarHBondContact O-CD2 3.43Å; A155-F159 PolarHBondContact O-N 3.06Å
156L96.6Very high91.6Very high0 Ų061.8 Ų61.80%033%0.333CS..Hα-helixtrans-58.3-49.1174.3-179.269.6000110.8V106 V109 A110 I113 D152 I153 H158 Y160 L167 L173 F177V106-L156 HydrophobicContact CG1-CB 4.12Å; V106-L156 HydrophobicContact CG1-CD1 4.25Å; V109-L156 HydrophobicContact CG1-CD2 4.14Å; A110-L156 HydrophobicContact CB-CD1 3.75Å; I113-L156 HydrophobicContact CD1-CD2 3.85Å; D152-L156 PolarHBondContact O-N 3.49Å; I153-L156 WeakPolarHBondContact O-CB 3.47Å; I153-L156 PolarHBondContact O-N 2.93Å; I153-L156 VanDerWaalsContact O-N 3.14Å; L156-H158 PolarHBondContact O-N 3.31Å; L156-Y160 HydrophobicContact CD1-CD2 3.88Å; L156-Y160 HydrophobicContact CD1-CG 4.31Å; L156-Y160 WeakPolarHBondContact O-CB 3.34Å; L156-Y160 PolarHBondContact O-N 3.45Å; L156-L167 HydrophobicContact CD2-CD2 4.24Å; L156-L167 HydrophobicContact CG-CD2 4.41Å; L156-L173 HydrophobicContact CD2-CD1 4.27Å; L156-L173 HydrophobicContact CD2-CD2 3.66Å; L156-F177 HydrophobicContact CB-CZ 4.33Å; L156-F177 HydrophobicContact CD2-CE2 4.06Å; L156-F177 HydrophobicContact CD2-CZ 4.36Å
157H95.4Very high91.5Very high64 Ų6458.3 Ų58.330%0.29632%0.317SS..Hα-helixtrans-61.2-44.7175.1-77.3-73.8000111.7I153 A154 S161 L167I153-H157 PolarHBondContact O-CD2 3.42Å; I153-H157 PolarHBondContact O-N 2.73Å; A154-H157 PolarHBondContact O-N 3.02Å; H157-S161 WeakPolarHBondContact O-CB 3.49Å; H157-S161 PolarHBondContact O-N 2.95Å; H157-S161 PolarHBondContact O-OG 3.16Å; H157-L167 WeakPolarHBondContact ND1-CD1 3.21Å
158H94.9Very high91.4Very high97 Ų9753.5 Ų53.545%0.44930%0.298SS..Hα-helixtrans-60.8-49.3-178.5-17777.5000112.2Y96 A154 A155 L156Y96-H158 AromaticContact CD1-NE2 3.98Å; Y96-H158 AromaticContact CE1-CE1 3.96Å; Y96-H158 AromaticContact CE1-NE2 3.45Å; Y96-H158 WeakPolarHBondContact CE1-NE2 3.21Å; Y96-H158 PolarHBondContact OH-O 2.88Å; A154-H158 VanDerWaalsContact O-CB 3.31Å; A154-H158 WeakPolarHBondContact O-CB 3.48Å; A154-H158 PolarHBondContact O-N 2.95Å; A155-H158 PolarHBondContact O-N 3.38Å; L156-H158 PolarHBondContact O-N 3.31Å
159F94.7Very high91.4Very high12 Ų1253.5 Ų53.55%0.05330%0.299CS..Hα-helixtrans-87.7-27.5-172.7-67.2-62.7000114.2Y96 N99 W100 P102 A155Y96-F159 HydrophobicContact CD1-CE1 4.38Å; Y96-F159 AromaticContact CD2-CD1 3.83Å; Y96-F159 HydrophobicContact CD2-CD1 3.83Å; Y96-F159 HydrophobicContact CD2-CE1 4.38Å; Y96-F159 AromaticContact CE2-CD1 3.98Å; Y96-F159 HydrophobicContact CE2-CD1 3.98Å; Y96-F159 HydrophobicContact CG-CD1 4.12Å; Y96-F159 HydrophobicContact CG-CE1 4.2Å; N99-F159 WeakPolarHBondContact O-CE1 3.45Å; W100-F159 AromaticContact CD1-CD1 3.81Å; P102-F159 HydrophobicContact CB-CD2 3.69Å; P102-F159 HydrophobicContact CB-CE2 4.11Å; P102-F159 HydrophobicContact CB-CG 4.32Å; P102-F159 HydrophobicContact CG-CD2 4.24Å; P102-F159 HydrophobicContact CG-CG 4.47Å; A155-F159 HydrophobicContact CB-CD2 4.3Å; A155-F159 HydrophobicContact CB-CE2 4.37Å; A155-F159 WeakPolarHBondContact O-CD2 3.43Å; A155-F159 PolarHBondContact O-N 3.06Å
160Y92.6Very high91.5Very high1 Ų157.5 Ų57.50%0.00432%0.32CS..Hα-helixtrans-121.2-12.9-167.6-60.5-85000115.9L88 E89 P102 V106 R107 A110 L156 K162 H163 I164L88-Y160 HydrophobicContact CB-CD1 4.25Å; L88-Y160 HydrophobicContact CB-CE1 4.29Å; E89-Y160 HydrophobicContact CG-CE1 4.17Å; P102-Y160 HydrophobicContact CB-CE2 4.16Å; P102-Y160 HydrophobicContact CG-CE2 4.39Å; V106-Y160 HydrophobicContact CG1-CD2 4.27Å; V106-Y160 HydrophobicContact CG1-CE2 3.83Å; R107-Y160 WeakPolarHBondContact CG-OH 3.4Å; A110-Y160 HydrophobicContact CB-CD1 3.95Å; A110-Y160 HydrophobicContact CB-CD2 4.12Å; A110-Y160 HydrophobicContact CB-CE1 3.99Å; A110-Y160 HydrophobicContact CB-CE2 4.17Å; A110-Y160 HydrophobicContact CB-CG 4Å; L156-Y160 HydrophobicContact CD1-CD2 3.88Å; L156-Y160 HydrophobicContact CD1-CG 4.31Å; L156-Y160 WeakPolarHBondContact O-CB 3.34Å; L156-Y160 PolarHBondContact O-N 3.45Å; Y160-K162 PolarHBondContact O-N 3.43Å; Y160-K162 VanDerWaalsContact O-N 3.14Å; Y160-H163 PolarHBondContact O-N 3.01Å; Y160-I164 HydrophobicContact CG-CD1 4.5Å; Y160-I164 PolarHBondContact O-N 2.62Å
161S88.4Confident91.4Very high57 Ų5760.6 Ų60.640%0.39934%0.335SS..THydrogen-bonded Turntrans-57.4-31.9-177.757.50000114.5H157 H163H157-S161 WeakPolarHBondContact O-CB 3.49Å; H157-S161 PolarHBondContact O-N 2.95Å; H157-S161 PolarHBondContact O-OG 3.16Å; S161-H163 PolarHBondContact O-N 3.45Å
162K83.1Confident91.4Very high162 Ų16259.7 Ų59.770%0.70433%0.328SS*.THydrogen-bonded Turntrans-71.4-13.8176.4-67.5-179.6-179.2168.90113.7Y160Y160-K162 PolarHBondContact O-N 3.43Å; Y160-K162 VanDerWaalsContact O-N 3.14Å
163H77.7Confident91.3Very high62 Ų6258.3 Ų58.329%0.28732%0.32SS..THydrogen-bonded Turntrans-120.1-22.2-171.8-56.7-40.3000112.8L88 V91 Y160 S161L88-H163 HydrophobicContact CD2-CB 4.5Å; V91-H163 WeakPolarHBondContact CG1-CE1 3.4Å; V91-H163 WeakPolarHBondContact CG1-NE2 3.46Å; Y160-H163 PolarHBondContact O-N 3.01Å; S161-H163 PolarHBondContact O-N 3.45Å
164I82.2Confident91.3Very high2 Ų259.7 Ų59.71%0.0133%0.329CS..SBendtrans-113.192.3174.7-55.3-178.9000106.6L88 A110 I113 Y160 L167L88-I164 HydrophobicContact CD2-CD1 4.33Å; L88-I164 HydrophobicContact CD2-CG1 3.84Å; A110-I164 HydrophobicContact CB-CD1 4.19Å; I113-I164 HydrophobicContact CG2-CG2 4.01Å; Y160-I164 HydrophobicContact CG-CD1 4.5Å; Y160-I164 PolarHBondContact O-N 2.62Å; I164-L167 HydrophobicContact CB-CD2 4Å; I164-L167 HydrophobicContact CB-CG 4.32Å; I164-L167 HydrophobicContact CD1-CD2 4.35Å; I164-L167 HydrophobicContact CG2-CD2 3.59Å; I164-L167 HydrophobicContact CG2-CG 4.08Å
165S76.9Confident91.3Very high77 Ų7760.7 Ų60.754%0.53832%0.323SS..SBendtrans-61.8141.2173.161.90000109.4R117R117-S165 PolarHBondContact NH1-O 3.27Å; R117-S165 PolarHBondContact NH2-O 2.86Å
166D83.4Confident91.3Very high144 Ų14460.1 Ų60.177%0.7732%0.317SS*.SBendtrans6052.2174.9-40.2-52.8000113.8R117R117-D166 VanDerWaalsContact NH2-C 3.26Å; R117-D166 PolarHBondContact NH2-O 2.76Å
167L90.6Very high91.4Very high30 Ų3060.1 Ų60.116%0.15732%0.317CS..PPolyproline II helixtrans-50.4146.6168-78.6167000110.3I113 L156 H157 I164I113-L167 HydrophobicContact CD1-CD2 4.09Å; L156-L167 HydrophobicContact CD2-CD2 4.24Å; L156-L167 HydrophobicContact CG-CD2 4.41Å; H157-L167 WeakPolarHBondContact ND1-CD1 3.21Å; I164-L167 HydrophobicContact CB-CD2 4Å; I164-L167 HydrophobicContact CB-CG 4.32Å; I164-L167 HydrophobicContact CD1-CD2 4.35Å; I164-L167 HydrophobicContact CG2-CD2 3.59Å; I164-L167 HydrophobicContact CG2-CG 4.08Å
168P93.7Very high91.5Very high39 Ų3957 Ų5725%0.25330%0.303SS..PPolyproline II helixtrans-53.4157.1171.5-20.731.1000111.5I113 A172 L173I113-P168 HydrophobicContact CD1-CG 4.37Å; I113-P168 HydrophobicContact CG1-CG 4.42Å; P168-A172 HydrophobicContact CB-CB 3.82Å; P168-L173 HydrophobicContact CB-CD2 4.07Å; P168-L173 HydrophobicContact CB-CG 4.14Å; P168-L173 HydrophobicContact CG-CD2 4.04Å; P168-L173 WeakPolarHBondContact O-CD1 3.23Å
169D94.8Very high91.7Very high104 Ų10452.9 Ų52.956%0.55628%0.284SS*.PPolyproline II helixtrans-66.2163.5173.561.444.6000112.2Q171 A172 L173D169-Q171 PolarHBondContact O-N 2.77Å; D169-Q171 VanDerWaalsContact O-N 3.15Å; D169-Q171 PolarHBondContact OD1-N 3.07Å; D169-A172 PolarHBondContact O-N 3.22Å; D169-A172 VanDerWaalsContact O-N 3.12Å; D169-A172 WeakPolarHBondContact OD1-CB 3.43Å; D169-A172 PolarHBondContact OD1-N 3.39Å; D169-L173 WeakPolarHBondContact O-CG 2.92Å; D169-L173 PolarHBondContact O-N 3.34Å
170D93.4Very high91.8Very high91 Ų9152.7 Ų52.749%0.48728%0.283SS..Hα-helixtrans-58.2-30.5-175-67.311.4000112.9T174D170-T174 VanDerWaalsContact O-CB 3.27Å; D170-T174 WeakPolarHBondContact O-CB 3.39Å; D170-T174 PolarHBondContact O-N 3.37Å; D170-T174 PolarHBondContact O-OG1 2.85Å
171Q94.8Very high92Very high157 Ų15756.1 Ų56.173%0.73430%0.302SS*.Hα-helixtrans-69.1-49.9177-178176.91.100110.6D169 L173 T174 E175D169-Q171 PolarHBondContact O-N 2.77Å; D169-Q171 VanDerWaalsContact O-N 3.15Å; D169-Q171 PolarHBondContact OD1-N 3.07Å; Q171-L173 VanDerWaalsContact C-N 3.3Å; Q171-L173 PolarHBondContact O-N 2.85Å; Q171-T174 PolarHBondContact O-N 3.47Å; Q171-E175 PolarHBondContact O-N 3.01Å
172A96.1Very high92.4Very high40 Ų4054.1 Ų54.133%0.33129%0.288SS..Hα-helixtrans-64.1-35.4176.600000112.1P168 D169 L176P168-A172 HydrophobicContact CB-CB 3.82Å; D169-A172 PolarHBondContact O-N 3.22Å; D169-A172 VanDerWaalsContact O-N 3.12Å; D169-A172 WeakPolarHBondContact OD1-CB 3.43Å; D169-A172 PolarHBondContact OD1-N 3.39Å; A172-L176 WeakPolarHBondContact O-CB 3.41Å; A172-L176 PolarHBondContact O-N 3.46Å
173L97Very high93.1Very high0 Ų047.4 Ų47.40%026%0.259CS..Hα-helixtrans-66.9-44.5174.4-70.9178.5000111.6I113 I153 L156 P168 D169 Q171 E175 L176 F177I113-L173 HydrophobicContact CD1-CD2 3.83Å; I153-L173 HydrophobicContact CD1-CB 4.07Å; I153-L173 HydrophobicContact CG1-CB 4.05Å; I153-L173 HydrophobicContact CG2-CD1 4.04Å; L156-L173 HydrophobicContact CD2-CD1 4.27Å; L156-L173 HydrophobicContact CD2-CD2 3.66Å; P168-L173 HydrophobicContact CB-CD2 4.07Å; P168-L173 HydrophobicContact CB-CG 4.14Å; P168-L173 HydrophobicContact CG-CD2 4.04Å; P168-L173 WeakPolarHBondContact O-CD1 3.23Å; D169-L173 WeakPolarHBondContact O-CG 2.92Å; D169-L173 PolarHBondContact O-N 3.34Å; Q171-L173 VanDerWaalsContact C-N 3.3Å; Q171-L173 PolarHBondContact O-N 2.85Å; L173-E175 VanDerWaalsContact C-N 3.33Å; L173-E175 PolarHBondContact O-N 3.35Å; L173-L176 PolarHBondContact O-N 2.96Å; L173-F177 VanDerWaalsContact O-CD2 3.28Å; L173-F177 WeakPolarHBondContact O-CD2 3.29Å; L173-F177 PolarHBondContact O-N 3.46Å
174T96.6Very high94.1Very high33 Ų3345.9 Ų45.920%0.20226%0.26CS..Hα-helixtrans-59.2-45.9177.1-62.60000110.8L138 I153 D170 Q171 A178L138-T174 HydrophobicContact CD2-CG2 4.17Å; I153-T174 WeakPolarHBondContact CD1-OG1 3.27Å; D170-T174 VanDerWaalsContact O-CB 3.27Å; D170-T174 WeakPolarHBondContact O-CB 3.39Å; D170-T174 PolarHBondContact O-N 3.37Å; D170-T174 PolarHBondContact O-OG1 2.85Å; Q171-T174 PolarHBondContact O-N 3.47Å; T174-A178 VanDerWaalsContact O-CB 3.25Å; T174-A178 WeakPolarHBondContact O-CB 3.43Å; T174-A178 PolarHBondContact O-N 2.94Å
175E97.3Very high94.9Very high81 Ų8147.3 Ų47.338%0.37927%0.267SS..Hα-helixtrans-60.2-45.4174.2-173.3176.2178.700111.7A136 L138 Q171 L173 A178 Q179A136-E175 HydrophobicContact CB-CG 4.29Å; L138-E175 HydrophobicContact CD1-CB 4.15Å; L138-E175 HydrophobicContact CD1-CG 4.18Å; Q171-E175 PolarHBondContact O-N 3.01Å; L173-E175 VanDerWaalsContact C-N 3.33Å; L173-E175 PolarHBondContact O-N 3.35Å; E175-A178 WeakPolarHBondContact O-CB 3.47Å; E175-A178 PolarHBondContact O-N 2.95Å; E175-Q179 HydrophobicContact CG-CG 4.46Å; E175-Q179 WeakPolarHBondContact O-CB 3.26Å; E175-Q179 VanDerWaalsContact O-CG 3.25Å; E175-Q179 WeakPolarHBondContact O-CG 3.46Å; E175-Q179 PolarHBondContact O-N 3.07Å
176L97.9Very high95.9Very high9 Ų946.7 Ų46.75%0.04726%0.26CS..Hα-helixtrans-66.2-42-178.9-178.858.3000113V109 I112 I113 L131 A172 L173 A178 Q179 V180V109-L176 HydrophobicContact CG1-CD2 3.87Å; V109-L176 HydrophobicContact CG1-CG 4.29Å; I112-L176 HydrophobicContact CG2-CD1 4.04Å; I112-L176 HydrophobicContact CG2-CD2 4.29Å; I113-L176 HydrophobicContact CD1-CD2 4.28Å; I113-L176 HydrophobicContact CG1-CD2 3.77Å; L131-L176 HydrophobicContact CD2-CD1 4.02Å; A172-L176 WeakPolarHBondContact O-CB 3.41Å; A172-L176 PolarHBondContact O-N 3.46Å; L173-L176 PolarHBondContact O-N 2.96Å; L176-A178 VanDerWaalsContact C-N 3.35Å; L176-Q179 PolarHBondContact O-N 3.19Å; L176-V180 HydrophobicContact CD1-CG2 4.3Å; L176-V180 WeakPolarHBondContact O-CG2 3.41Å; L176-V180 PolarHBondContact O-N 3.4Å
177F98.1Very high96.7Very high0 Ų039.9 Ų39.90%022%0.224CC..Hα-helixtrans-63-43.7174.7-87.4-77.3000111T105 V106 V109 D152 I153 L156 L173 Q179 V180 N181T105-F177 HydrophobicContact CG2-CD1 3.85Å; T105-F177 HydrophobicContact CG2-CE1 4.01Å; V106-F177 HydrophobicContact CG2-CE1 3.93Å; V106-F177 HydrophobicContact CG2-CZ 3.97Å; V109-F177 HydrophobicContact CB-CE1 4.04Å; V109-F177 HydrophobicContact CB-CZ 3.98Å; V109-F177 HydrophobicContact CG1-CD2 4.43Å; V109-F177 HydrophobicContact CG1-CE1 4.32Å; V109-F177 HydrophobicContact CG1-CE2 3.91Å; V109-F177 HydrophobicContact CG1-CZ 3.84Å; V109-F177 HydrophobicContact CG2-CD1 3.82Å; V109-F177 HydrophobicContact CG2-CE1 3.68Å; V109-F177 HydrophobicContact CG2-CG 4.3Å; V109-F177 HydrophobicContact CG2-CZ 4.07Å; D152-F177 HydrophobicContact CB-CD1 3.95Å; D152-F177 HydrophobicContact CB-CE1 3.56Å; D152-F177 HydrophobicContact CB-CZ 3.92Å; I153-F177 HydrophobicContact CD1-CD2 4.41Å; I153-F177 HydrophobicContact CG1-CD2 3.63Å; I153-F177 HydrophobicContact CG1-CE2 3.68Å; L156-F177 HydrophobicContact CB-CZ 4.33Å; L156-F177 HydrophobicContact CD2-CE2 4.06Å; L156-F177 HydrophobicContact CD2-CZ 4.36Å; L173-F177 VanDerWaalsContact O-CD2 3.28Å; L173-F177 WeakPolarHBondContact O-CD2 3.29Å; L173-F177 PolarHBondContact O-N 3.46Å; F177-Q179 PolarHBondContact O-N 3.12Å; F177-V180 PolarHBondContact O-N 3.15Å; F177-N181 WeakPolarHBondContact O-CB 3.49Å; F177-N181 VanDerWaalsContact O-CG 3.28Å; F177-N181 PolarHBondContact O-N 3.31Å; F177-N181 PolarHBondContact O-ND2 3.47Å
178A97.3Very high97Very high0 Ų041.8 Ų41.80%023%0.232CC..Hα-helixtrans-59.3-44.7174.800000112.5A136 L138 M141 T174 E175 L176 N181 C182A136-A178 HydrophobicContact CB-CB 3.97Å; A136-A178 WeakPolarHBondContact O-CB 3.37Å; L138-A178 HydrophobicContact CD2-CB 3.58Å; M141-A178 HydrophobicContact CE-CB 3.31Å; M141-A178 HydrophobicContact SD-CB 4.33Å; T174-A178 VanDerWaalsContact O-CB 3.25Å; T174-A178 WeakPolarHBondContact O-CB 3.43Å; T174-A178 PolarHBondContact O-N 2.94Å; E175-A178 WeakPolarHBondContact O-CB 3.47Å; E175-A178 PolarHBondContact O-N 2.95Å; L176-A178 VanDerWaalsContact C-N 3.35Å; A178-N181 PolarHBondContact O-N 2.99Å; A178-C182 PolarHBondContact O-N 3.08Å; A178-C182 PolarHBondContact O-SG 3.47Å
179Q98.3Very high97.2Very high10 Ų1040.7 Ų40.75%0.04722%0.224CC..Hα-helixtrans-61-45.4174.6-75.7175.6-22.300111.9F134 A136 E175 L176 F177 C182 N183F134-Q179 HydrophobicContact CB-CB 3.84Å; F134-Q179 HydrophobicContact CB-CG 3.67Å; F134-Q179 HydrophobicContact CD2-CB 4.27Å; F134-Q179 PolarHBondContact O-NE2 3.42Å; F134-Q179 VanDerWaalsContact O-NE2 3.09Å; A136-Q179 HydrophobicContact CB-CG 3.8Å; E175-Q179 HydrophobicContact CG-CG 4.46Å; E175-Q179 WeakPolarHBondContact O-CB 3.26Å; E175-Q179 VanDerWaalsContact O-CG 3.25Å; E175-Q179 WeakPolarHBondContact O-CG 3.46Å; E175-Q179 PolarHBondContact O-N 3.07Å; L176-Q179 PolarHBondContact O-N 3.19Å; F177-Q179 PolarHBondContact O-N 3.12Å; Q179-C182 PolarHBondContact O-N 3.17Å; Q179-N183 WeakPolarHBondContact O-CB 3.43Å; Q179-N183 PolarHBondContact O-N 3.11Å; Q179-N183 PolarHBondContact O-ND2 2.97Å
180V98.1Very high97.3Very high7 Ų736.1 Ų36.14%0.04220%0.199CC..Hα-helixtrans-65.8-39.2178.6171.50000111.3T105 L108 V109 I112 L176 F177 C182 G184 V199T105-V180 HydrophobicContact CG2-CG1 4.05Å; L108-V180 HydrophobicContact CD2-CG1 3.94Å; V109-V180 HydrophobicContact CG2-CB 4.22Å; V109-V180 HydrophobicContact CG2-CG1 4.38Å; V109-V180 HydrophobicContact CG2-CG2 3.88Å; I112-V180 HydrophobicContact CD1-CG2 3.52Å; L176-V180 HydrophobicContact CD1-CG2 4.3Å; L176-V180 WeakPolarHBondContact O-CG2 3.41Å; L176-V180 PolarHBondContact O-N 3.4Å; F177-V180 PolarHBondContact O-N 3.15Å; V180-C182 VanDerWaalsContact C-N 3.34Å; V180-C182 PolarHBondContact O-N 2.85Å; V180-G184 VanDerWaalsContact O-CA 3.24Å; V180-G184 WeakPolarHBondContact O-CA 3.4Å; V180-G184 PolarHBondContact O-N 3.44Å; V180-V199 HydrophobicContact CG2-CG1 4.49Å
181N96.7Very high97.5Very high73 Ų7333.7 Ų33.739%0.3918%0.184SC..Hα-helixtrans-65.3-36.6177-72.7-28.5000112.4N149 F177 A178N149-N181 PolarHBondContact OD1-ND2 3.07Å; N149-N181 VanDerWaalsContact OD1-ND2 3.16Å; F177-N181 WeakPolarHBondContact O-CB 3.49Å; F177-N181 VanDerWaalsContact O-CG 3.28Å; F177-N181 PolarHBondContact O-N 3.31Å; F177-N181 PolarHBondContact O-ND2 3.47Å; A178-N181 PolarHBondContact O-N 2.99Å
182C96.8Very high97.7Very high16 Ų1627.7 Ų27.711%0.10816%0.157CC..Hα-helixtrans-81.3-25.7-179.8-64.70000114.1A178 Q179 V180A178-C182 PolarHBondContact O-N 3.08Å; A178-C182 PolarHBondContact O-SG 3.47Å; Q179-C182 PolarHBondContact O-N 3.17Å; V180-C182 VanDerWaalsContact C-N 3.34Å; V180-C182 PolarHBondContact O-N 2.85Å
183N98.5Very high97.6Very high20 Ų2027.7 Ų27.711%0.10716%0.155CC..Hα-helixtrans-126.92.3-167.9-55.1-97.1000113.5F134 E135 Q179 F185 A204F134-N183 HydrophobicContact CD2-CB 3.51Å; F134-N183 HydrophobicContact CE1-CB 4.5Å; F134-N183 HydrophobicContact CE2-CB 3.53Å; F134-N183 HydrophobicContact CG-CB 4.02Å; F134-N183 HydrophobicContact CZ-CB 4.03Å; E135-N183 PolarHBondContact O-ND2 3.08Å; Q179-N183 WeakPolarHBondContact O-CB 3.43Å; Q179-N183 PolarHBondContact O-N 3.11Å; Q179-N183 PolarHBondContact O-ND2 2.97Å; N183-F185 VanDerWaalsContact O-CD2 3.31Å; N183-F185 WeakPolarHBondContact O-CD2 3.37Å; N183-F185 WeakPolarHBondContact O-CE2 3.33Å; N183-A204 HydrophobicContact CB-CB 4.07Å
184G98.1Very high97.6Very high30 Ų3031 Ų3131%0.30917%0.17SC..EExtended strand (participates in β ladder)trans-73.8147.617800000111.9V180V180-G184 VanDerWaalsContact O-CA 3.24Å; V180-G184 WeakPolarHBondContact O-CA 3.4Å; V180-G184 PolarHBondContact O-N 3.44Å
185F98.7Very high97.7Very high32 Ų3229.6 Ų29.614%0.1416%0.162CC..EExtended strand (participates in β ladder)trans-117.3135.9178.5-72.8-100.5000110N183 S197 A198 F200 V203 A204N183-F185 VanDerWaalsContact O-CD2 3.31Å; N183-F185 WeakPolarHBondContact O-CD2 3.37Å; N183-F185 WeakPolarHBondContact O-CE2 3.33Å; F185-S197 CarbonylContact O-C 3.58Å; F185-S197 WeakPolarHBondContact O-CA 3.33Å; F185-A198 PolarHBondContact N-O 2.97Å; F185-A198 PolarHBondContact O-N 3.3Å; F185-F200 HydrophobicContact CB-CD2 3.84Å; F185-F200 HydrophobicContact CB-CE2 4.03Å; F185-F200 HydrophobicContact CD2-CB 4.38Å; F185-F200 AromaticContact CD2-CD2 3.91Å; F185-F200 HydrophobicContact CD2-CD2 3.91Å; F185-F200 HydrophobicContact CE2-CB 4.45Å; F185-F200 AromaticContact CG-CD2 3.86Å; F185-F200 HydrophobicContact CG-CD2 3.86Å; F185-F200 HydrophobicContact CG-CE2 4.48Å; F185-V203 HydrophobicContact CE1-CG1 3.67Å; F185-V203 HydrophobicContact CE2-CB 4.43Å; F185-V203 HydrophobicContact CE2-CG1 4.37Å; F185-V203 HydrophobicContact CZ-CB 4.03Å; F185-V203 HydrophobicContact CZ-CG1 3.55Å; F185-A204 HydrophobicContact CE2-CB 4.06Å
186T98.5Very high97.8Very high65 Ų6525.8 Ų25.840%0.39914%0.144SC..EExtended strand (participates in β ladder)trans-81.6122.8162.8-660000109E188 H194 Y218T186-E188 HydrophobicContact CG2-CG 3.79Å; T186-H194 WeakPolarHBondContact CG2-ND1 3.3Å; T186-Y218 WeakPolarHBondContact O-CE2 3.4Å; T186-Y218 PolarHBondContact O-OH 2.93Å
187I98.6Very high97.8Very high1 Ų126.3 Ų26.31%0.00515%0.148CC..EExtended strand (participates in β ladder)trans-83.3128.9170.1-61.5178.6000107.9F56 L195 G196 A198 F200 Y218F56-I187 HydrophobicContact CD2-CD1 4.26Å; F56-I187 HydrophobicContact CD2-CG2 4.09Å; F56-I187 HydrophobicContact CE2-CB 4.29Å; F56-I187 HydrophobicContact CE2-CD1 3.77Å; F56-I187 HydrophobicContact CE2-CG2 4.17Å; I187-L195 HydrophobicContact CG2-CB 4.16Å; I187-L195 HydrophobicContact CG2-CD1 4.25Å; I187-L195 WeakPolarHBondContact O-CB 3.43Å; I187-L195 PolarHBondContact O-N 3.3Å; I187-G196 PolarHBondContact N-O 2.96Å; I187-G196 PolarHBondContact O-N 3.32Å; I187-A198 HydrophobicContact CD1-CB 3.64Å; I187-A198 HydrophobicContact CG1-CB 4.05Å; I187-F200 HydrophobicContact CD1-CE2 4.41Å; I187-F200 HydrophobicContact CD1-CZ 4.11Å; I187-F200 HydrophobicContact CG1-CE2 4.28Å; I187-F200 HydrophobicContact CG1-CZ 4.38Å; I187-Y218 HydrophobicContact CB-CD2 4.37Å; I187-Y218 HydrophobicContact CB-CE2 4.45Å; I187-Y218 HydrophobicContact CB-CG 4.43Å; I187-Y218 HydrophobicContact CG1-CD1 4.1Å; I187-Y218 HydrophobicContact CG1-CE1 4.06Å; I187-Y218 HydrophobicContact CG1-CG 4.41Å; I187-Y218 HydrophobicContact CG2-CD1 4.29Å; I187-Y218 HydrophobicContact CG2-CD2 3.88Å; I187-Y218 HydrophobicContact CG2-CE2 4.44Å; I187-Y218 HydrophobicContact CG2-CG 3.78Å
188E98.4Very high97.9Very high70 Ų7026.3 Ų26.333%0.32715%0.148SC..EExtended strand (participates in β ladder)trans-124.6153.3-178.2-56.9176127.400111.3T186 L192 S193T186-E188 HydrophobicContact CG2-CG 3.79Å; E188-L192 HydrophobicContact CB-CD2 4.26Å; E188-L192 WeakPolarHBondContact OE2-CD2 3.28Å; E188-S193 VanDerWaalsContact CA-O 3.25Å; E188-S193 WeakPolarHBondContact CA-O 3.36Å
189D97.9Very high97.9Very high16 Ų1626.3 Ų26.39%0.08615%0.148CC..  trans-83-173.6173.376.52.8000112.8E191 L192 S193 L195D189-E191 PolarHBondContact O-N 2.8Å; D189-E191 VanDerWaalsContact O-N 3.14Å; D189-E191 VanDerWaalsContact OD1-CA 3.32Å; D189-E191 WeakPolarHBondContact OD1-CA 3.36Å; D189-E191 WeakPolarHBondContact OD1-CB 3.4Å; D189-E191 PolarHBondContact OD1-N 2.74Å; D189-L192 PolarHBondContact O-N 3.23Å; D189-L192 PolarHBondContact OD1-N 3.28Å; D189-L192 VanDerWaalsContact OD1-N 3.08Å; D189-S193 PolarHBondContact N-O 3.31Å; D189-S193 WeakPolarHBondContact OD1-CB 3.36Å; D189-S193 PolarHBondContact OD1-N 3.01Å; D189-S193 PolarHBondContact OD1-OG 3.47Å; D189-S193 WeakPolarHBondContact OD2-CB 3.33Å; D189-S193 PolarHBondContact OD2-OG 3.05Å; D189-L195 HydrophobicContact CB-CD1 3.91Å; D189-L195 HydrophobicContact CB-CD2 4.12Å; D189-L195 HydrophobicContact CB-CG 4.05Å
190E97.2Very high97.9Very high7 Ų725.8 Ų25.83%0.03315%0.146CC..THydrogen-bonded Turntrans-64.8-16.6-179.375.9-80.5-164.200114.5R58 L387 R391 M413 Y423R58-E190 IonicContact CZ-OE1 3.26Å; R58-E190 IonicContact CZ-OE2 3.14Å; R58-E190 IonicContact NH1-OE1 2.85Å; R58-E190 PolarHBondContact NH1-OE1 3.4Å; R58-E190 IonicContact NH1-OE2 3.68Å; R58-E190 PolarHBondContact NH1-OE2 2.89Å; R58-E190 IonicContact NH2-OE1 2.91Å; R58-E190 PolarHBondContact NH2-OE1 3.17Å; R58-E190 IonicContact NH2-OE2 3.45Å; E190-L387 HydrophobicContact CB-CD2 3.91Å; E190-L387 HydrophobicContact CG-CD2 3.28Å; E190-R391 IonicContact OE1-CZ 2.76Å; E190-R391 IonicContact OE1-NH1 3.89Å; E190-R391 PolarHBondContact OE1-NH1 2.84Å; E190-R391 IonicContact OE1-NH2 3.15Å; E190-R391 PolarHBondContact OE1-NH2 3.3Å; E190-R391 VanDerWaalsContact OE1-NH2 3.14Å; E190-M413 HydrophobicContact CB-CE 4.05Å; E190-Y423 HydrophobicContact CB-CD1 4.03Å; E190-Y423 HydrophobicContact CB-CD2 3.73Å; E190-Y423 HydrophobicContact CB-CE1 4.36Å; E190-Y423 HydrophobicContact CB-CE2 4.11Å; E190-Y423 HydrophobicContact CB-CG 3.71Å; E190-Y423 HydrophobicContact CG-CD1 4.25Å; E190-Y423 HydrophobicContact CG-CG 4.38Å; E190-Y423 WeakPolarHBondContact OE2-CE1 3.06Å
191E97.4Very high98Very high40 Ų4025.5 Ų25.519%0.18714%0.144CC..THydrogen-bonded Turntrans-102.66.6177.8-75-164.2-171.100113D189 S193 S384 L387 K388 R391D189-E191 PolarHBondContact O-N 2.8Å; D189-E191 VanDerWaalsContact O-N 3.14Å; D189-E191 VanDerWaalsContact OD1-CA 3.32Å; D189-E191 WeakPolarHBondContact OD1-CA 3.36Å; D189-E191 WeakPolarHBondContact OD1-CB 3.4Å; D189-E191 PolarHBondContact OD1-N 2.74Å; E191-S193 VanDerWaalsContact C-N 3.27Å; E191-S384 WeakPolarHBondContact CA-OG 3.46Å; E191-S384 PolarHBondContact O-OG 2.92Å; E191-L387 HydrophobicContact CG-CD2 3.84Å; E191-L387 HydrophobicContact CG-CG 4.3Å; E191-K388 HydrophobicContact CG-CG 4.17Å; E191-K388 VanDerWaalsContact O-CE 3.26Å; E191-K388 WeakPolarHBondContact O-CE 3.34Å; E191-K388 PolarHBondContact O-NZ 3.37Å; E191-K388 WeakPolarHBondContact OE2-CE 3.46Å; E191-K388 WeakPolarHBondContact OE2-CG 3.46Å; E191-R391 VanDerWaalsContact OE1-CD 3.26Å; E191-R391 WeakPolarHBondContact OE1-CD 3.32Å; E191-R391 IonicContact OE1-CZ 2.77Å; E191-R391 IonicContact OE1-NE 2.84Å; E191-R391 IonicContact OE1-NH1 3.56Å; E191-R391 PolarHBondContact OE1-NH1 3.48Å
192L97.5Very high98.1Very high31 Ų3122 Ų2216%0.16213%0.125CC..  trans60.434.5-172.8-54173.7000113.4E188 D189 L380 N381E188-L192 HydrophobicContact CB-CD2 4.26Å; E188-L192 WeakPolarHBondContact OE2-CD2 3.28Å; D189-L192 PolarHBondContact O-N 3.23Å; D189-L192 PolarHBondContact OD1-N 3.28Å; D189-L192 VanDerWaalsContact OD1-N 3.08Å; L192-L380 HydrophobicContact CD1-CB 4.17Å; L192-L380 HydrophobicContact CD2-CB 3.84Å; L192-L380 HydrophobicContact CD2-CD1 4.2Å; L192-L380 HydrophobicContact CG-CB 4.45Å; L192-N381 HydrophobicContact CD1-CB 4.31Å
193S95.7Very high98.2Very high41 Ų4121.3 Ų21.329%0.28712%0.12SC..  trans-82.9136.8169.4-47.40000109.6E188 D189 E191 L195E188-S193 VanDerWaalsContact CA-O 3.25Å; E188-S193 WeakPolarHBondContact CA-O 3.36Å; D189-S193 PolarHBondContact N-O 3.31Å; D189-S193 WeakPolarHBondContact OD1-CB 3.36Å; D189-S193 PolarHBondContact OD1-N 3.01Å; D189-S193 PolarHBondContact OD1-OG 3.47Å; D189-S193 WeakPolarHBondContact OD2-CB 3.33Å; D189-S193 PolarHBondContact OD2-OG 3.05Å; E191-S193 VanDerWaalsContact C-N 3.27Å; S193-L195 PolarHBondContact O-N 3.44Å
194H97.1Very high98.2Very high69 Ų6921 Ų2132%0.31912%0.121SC..EExtended strand (participates in β ladder)trans-63.8113.7179.8179.662.5000111.5T44 E104 T186 G196T44-H194 WeakPolarHBondContact CG2-O 3.38Å; T44-H194 PolarHBondContact OG1-CD2 3.35Å; E104-H194 VanDerWaalsContact CD-NE2 3.3Å; E104-H194 IonicContact OE1-CE1 3.32Å; E104-H194 PolarHBondContact OE1-CE1 3.13Å; E104-H194 IonicContact OE1-NE2 3.59Å; E104-H194 PolarHBondContact OE1-NE2 2.78Å; E104-H194 IonicContact OE2-CD2 3.64Å; E104-H194 IonicContact OE2-CE1 3.5Å; E104-H194 IonicContact OE2-NE2 3.84Å; E104-H194 PolarHBondContact OE2-NE2 3.07Å; T186-H194 WeakPolarHBondContact CG2-ND1 3.3Å; H194-G196 PolarHBondContact CE1-O 3.18Å
195L98.3Very high98.2Very high4 Ų419.8 Ų19.82%0.02111%0.107CC..EExtended strand (participates in β ladder)trans-94.4-29.6175.2-64.1-176.3000112.5L43 T44 E47 F56 I187 D189 S193L43-L195 VanDerWaalsContact CD1-O 3.28Å; L43-L195 WeakPolarHBondContact CD1-O 3.48Å; T44-L195 WeakPolarHBondContact CG2-O 3.06Å; T44-L195 PolarHBondContact N-O 3.37Å; E47-L195 HydrophobicContact CG-CD2 4.08Å; F56-L195 HydrophobicContact CD2-CB 4.37Å; F56-L195 HydrophobicContact CE2-CB 4.36Å; I187-L195 HydrophobicContact CG2-CB 4.16Å; I187-L195 HydrophobicContact CG2-CD1 4.25Å; I187-L195 WeakPolarHBondContact O-CB 3.43Å; I187-L195 PolarHBondContact O-N 3.3Å; D189-L195 HydrophobicContact CB-CD1 3.91Å; D189-L195 HydrophobicContact CB-CD2 4.12Å; D189-L195 HydrophobicContact CB-CG 4.05Å; S193-L195 PolarHBondContact O-N 3.44Å
196G98.4Very high98.2Very high0 Ų018.4 Ų18.40%010%0.101CC..EExtended strand (participates in β ladder)trans160.2-171.5-178.300000113.3V42 E104 I187 H194V42-G196 CarbonylContact O-C 3.51Å; V42-G196 VanDerWaalsContact O-CA 3.23Å; V42-G196 WeakPolarHBondContact O-CA 3.5Å; E104-G196 WeakPolarHBondContact OE1-CA 3.41Å; I187-G196 PolarHBondContact N-O 2.96Å; I187-G196 PolarHBondContact O-N 3.32Å; H194-G196 PolarHBondContact CE1-O 3.18Å
197S98.7Very high98.2Very high20 Ų2016.5 Ų16.514%0.149%0.089CC..EExtended strand (participates in β ladder)trans-118.9146.1-177.7-66.70000111.5Y41 V42 E104 F185Y41-S197 CarbonylContact C-O 3.54Å; Y41-S197 VanDerWaalsContact CA-O 3.26Å; Y41-S197 WeakPolarHBondContact CA-O 3.18Å; V42-S197 PolarHBondContact N-O 3.04Å; V42-S197 PolarHBondContact O-N 3.39Å; E104-S197 VanDerWaalsContact OE1-CB 3.23Å; E104-S197 WeakPolarHBondContact OE1-CB 3.4Å; E104-S197 PolarHBondContact OE1-N 2.79Å; E104-S197 PolarHBondContact OE1-OG 3.48Å; F185-S197 CarbonylContact O-C 3.58Å; F185-S197 WeakPolarHBondContact O-CA 3.33Å
198A98.8Very high98.2Very high0 Ų016.8 Ų16.80%09%0.09CC..EExtended strand (participates in β ladder)trans-149.4166.2179.800000112.7A38 S40 F185 I187 F200A38-A198 HydrophobicContact CB-CB 4.32Å; S40-A198 CarbonylContact O-C 3.59Å; S40-A198 VanDerWaalsContact O-CA 3.25Å; S40-A198 WeakPolarHBondContact O-CA 3.43Å; S40-A198 WeakPolarHBondContact O-CB 3.41Å; F185-A198 PolarHBondContact N-O 2.97Å; F185-A198 PolarHBondContact O-N 3.3Å; I187-A198 HydrophobicContact CD1-CB 3.64Å; I187-A198 HydrophobicContact CG1-CB 4.05Å; A198-F200 HydrophobicContact CB-CD2 4.22Å; A198-F200 HydrophobicContact CB-CE2 3.52Å; A198-F200 HydrophobicContact CB-CZ 3.83Å
199V98.6Very high98.2Very high0 Ų013.9 Ų13.90%08%0.077CC..EExtended strand (participates in β ladder)trans-119128.8169.5-770000110.1Y39 S40 L108 I112 L131 F134 V180Y39-V199 WeakPolarHBondContact CB-O 3.32Å; Y39-V199 HydrophobicContact CD1-CG2 3.85Å; Y39-V199 HydrophobicContact CG-CG2 4.37Å; Y39-V199 PolarHBondContact N-O 2.81Å; S40-V199 PolarHBondContact O-N 3.27Å; L108-V199 HydrophobicContact CD2-CG1 4.36Å; I112-V199 HydrophobicContact CD1-CG1 4.11Å; I112-V199 HydrophobicContact CD1-CG2 3.86Å; I112-V199 HydrophobicContact CG1-CG2 4.07Å; L131-V199 HydrophobicContact CD1-CG2 4.31Å; F134-V199 HydrophobicContact CE2-CB 4.48Å; F134-V199 HydrophobicContact CE2-CG1 4.3Å; V180-V199 HydrophobicContact CG2-CG1 4.49Å
200F98.8Very high98.3Very high0 Ų013.4 Ų13.40%08%0.076CC..  trans-126.186179.4-61.3-82.3000109.5C36 A38 F185 I187 A198 D202 V203 A204 Y218 T221 A223C36-F200 WeakPolarHBondContact O-CD1 3.22Å; A38-F200 HydrophobicContact CB-CD1 4.12Å; A38-F200 HydrophobicContact CB-CE1 3.5Å; A38-F200 HydrophobicContact CB-CZ 3.91Å; F185-F200 HydrophobicContact CB-CD2 3.84Å; F185-F200 HydrophobicContact CB-CE2 4.03Å; F185-F200 HydrophobicContact CD2-CB 4.38Å; F185-F200 AromaticContact CD2-CD2 3.91Å; F185-F200 HydrophobicContact CD2-CD2 3.91Å; F185-F200 HydrophobicContact CE2-CB 4.45Å; F185-F200 AromaticContact CG-CD2 3.86Å; F185-F200 HydrophobicContact CG-CD2 3.86Å; F185-F200 HydrophobicContact CG-CE2 4.48Å; I187-F200 HydrophobicContact CD1-CE2 4.41Å; I187-F200 HydrophobicContact CD1-CZ 4.11Å; I187-F200 HydrophobicContact CG1-CE2 4.28Å; I187-F200 HydrophobicContact CG1-CZ 4.38Å; A198-F200 HydrophobicContact CB-CD2 4.22Å; A198-F200 HydrophobicContact CB-CE2 3.52Å; A198-F200 HydrophobicContact CB-CZ 3.83Å; F200-D202 PolarHBondContact O-N 2.91Å; F200-V203 HydrophobicContact CB-CB 3.72Å; F200-V203 HydrophobicContact CB-CG2 3.64Å; F200-V203 HydrophobicContact CG-CG2 4.4Å; F200-V203 WeakPolarHBondContact O-CA 3.42Å; F200-V203 WeakPolarHBondContact O-CB 3.24Å; F200-V203 PolarHBondContact O-N 3.45Å; F200-A204 PolarHBondContact O-N 3.14Å; F200-Y218 HydrophobicContact CE2-CD1 4.3Å; F200-Y218 AromaticContact CE2-CE1 3.75Å; F200-Y218 HydrophobicContact CE2-CE1 3.75Å; F200-Y218 HydrophobicContact CZ-CD1 4.16Å; F200-Y218 HydrophobicContact CZ-CE1 4.08Å; F200-T221 WeakPolarHBondContact CE1-O 3.43Å; F200-A223 HydrophobicContact CD1-CB 3.61Å; F200-A223 HydrophobicContact CD2-CB 4.2Å; F200-A223 HydrophobicContact CE1-CB 3.62Å; F200-A223 HydrophobicContact CE2-CB 4.21Å; F200-A223 HydrophobicContact CG-CB 3.91Å; F200-A223 HydrophobicContact CZ-CB 3.94Å
201P98.5Very high98.3Very high0 Ų014.8 Ų14.80%09%0.086CC..Hα-helixtrans-55-45.3-169.5-28.635.9000115.2Y39 S125 E126 L129 L131 F134 V203 A204 L205Y39-P201 HydrophobicContact CD2-CG 4.44Å; Y39-P201 HydrophobicContact CG-CG 4.34Å; S125-P201 WeakPolarHBondContact O-CB 3.49Å; S125-P201 WeakPolarHBondContact O-CD 3.34Å; E126-P201 HydrophobicContact CB-CB 4.47Å; E126-P201 HydrophobicContact CG-CB 3.76Å; E126-P201 HydrophobicContact CG-CG 3.67Å; L129-P201 WeakPolarHBondContact CD2-O 3.25Å; L129-P201 WeakPolarHBondContact O-CB 3.25Å; L131-P201 HydrophobicContact CB-CG 4.43Å; F134-P201 HydrophobicContact CE1-CB 3.73Å; F134-P201 HydrophobicContact CE1-CG 4.22Å; F134-P201 HydrophobicContact CZ-CB 3.85Å; F134-P201 HydrophobicContact CZ-CG 3.86Å; P201-V203 VanDerWaalsContact C-N 3.26Å; P201-V203 PolarHBondContact O-N 3.46Å; P201-A204 PolarHBondContact O-N 2.8Å; P201-L205 PolarHBondContact O-N 2.84Å
202D98.7Very high98.4Very high0 Ų013.5 Ų13.50%08%0.081CC..Hα-helixtrans-66-26.8176.8-71.5-20.4000113.9I6 F34 S125 E126 R127 L128 L129 F200I6-D202 HydrophobicContact CD1-CB 3.88Å; F34-D202 HydrophobicContact CE2-CB 3.95Å; S125-D202 PolarHBondContact O-N 2.87Å; S125-D202 VanDerWaalsContact O-N 3.12Å; E126-D202 VanDerWaalsContact C-OD1 3.24Å; R127-D202 WeakPolarHBondContact CB-OD2 3.37Å; R127-D202 IonicContact CZ-OD2 3.79Å; R127-D202 VanDerWaalsContact N-CG 3.26Å; R127-D202 PolarHBondContact N-OD1 2.94Å; R127-D202 PolarHBondContact N-OD2 3.46Å; R127-D202 IonicContact NE-OD2 3.31Å; R127-D202 PolarHBondContact NE-OD2 3.46Å; R127-D202 IonicContact NH2-OD2 2.81Å; R127-D202 PolarHBondContact NH2-OD2 3.04Å; L128-D202 PolarHBondContact N-OD1 3.45Å; L129-D202 PolarHBondContact N-OD1 3.13Å; F200-D202 PolarHBondContact O-N 2.91Å
203V98.9Very high98.4Very high1 Ų112.6 Ų12.61%0.0068%0.076CC..Hα-helixtrans-78.4-39.7177.3-174.80000110.1F34 C36 F185 F200 P201 L205 M206 V216 A223 V225F34-V203 HydrophobicContact CE2-CG2 3.84Å; F34-V203 HydrophobicContact CZ-CG2 4.15Å; C36-V203 HydrophobicContact CB-CG2 3.61Å; F185-V203 HydrophobicContact CE1-CG1 3.67Å; F185-V203 HydrophobicContact CE2-CB 4.43Å; F185-V203 HydrophobicContact CE2-CG1 4.37Å; F185-V203 HydrophobicContact CZ-CB 4.03Å; F185-V203 HydrophobicContact CZ-CG1 3.55Å; F200-V203 HydrophobicContact CB-CB 3.72Å; F200-V203 HydrophobicContact CB-CG2 3.64Å; F200-V203 HydrophobicContact CG-CG2 4.4Å; F200-V203 WeakPolarHBondContact O-CA 3.42Å; F200-V203 WeakPolarHBondContact O-CB 3.24Å; F200-V203 PolarHBondContact O-N 3.45Å; P201-V203 VanDerWaalsContact C-N 3.26Å; P201-V203 PolarHBondContact O-N 3.46Å; V203-L205 PolarHBondContact O-N 2.87Å; V203-M206 HydrophobicContact CB-CE 4.33Å; V203-M206 HydrophobicContact CG1-CE 3.46Å; V203-M206 VanDerWaalsContact CG1-CE 3.46Å; V203-M206 WeakPolarHBondContact O-CE 3.46Å; V203-M206 PolarHBondContact O-N 3.43Å; V203-M206 VanDerWaalsContact O-N 3.08Å; V203-V216 HydrophobicContact CG1-CG1 4.22Å; V203-V216 HydrophobicContact CG1-CG2 3.75Å; V203-A223 HydrophobicContact CG2-CB 3.99Å; V203-V225 HydrophobicContact CG1-CG2 4.37Å; V203-V225 HydrophobicContact CG2-CG2 4.28Å
204A98.8Very high98.6Very high15 Ų1510.7 Ų10.712%0.1246%0.063CC..Hα-helixtrans-61.5-13.4175.900000114L129 F134 N183 F185 F200 P201 M206L129-A204 HydrophobicContact CD2-CB 4.46Å; F134-A204 HydrophobicContact CE1-CB 4Å; F134-A204 HydrophobicContact CZ-CB 4.03Å; N183-A204 HydrophobicContact CB-CB 4.07Å; F185-A204 HydrophobicContact CE2-CB 4.06Å; F200-A204 PolarHBondContact O-N 3.14Å; P201-A204 PolarHBondContact O-N 2.8Å; A204-M206 VanDerWaalsContact C-N 3.31Å
205L98.8Very high98.7Very high4 Ų48.1 Ų8.12%0.0215%0.051CC..THydrogen-bonded Turntrans-73.5-20.8174.9-176.959.5000113.2R11 R19 G20 L21 L128 L129 P201 V203R11-L205 HydrophobicContact CB-CD2 3.89Å; R11-L205 HydrophobicContact CG-CD1 4.27Å; R11-L205 HydrophobicContact CG-CD2 4.08Å; R19-L205 HydrophobicContact CB-CD1 3.8Å; G20-L205 WeakPolarHBondContact CA-O 3.43Å; L21-L205 HydrophobicContact CB-CG 4.37Å; L21-L205 HydrophobicContact CD1-CD2 4.07Å; L128-L205 HydrophobicContact CB-CD2 3.72Å; L128-L205 HydrophobicContact CD1-CD2 4.19Å; L129-L205 HydrophobicContact CB-CB 4.29Å; L129-L205 HydrophobicContact CD2-CB 4.1Å; L129-L205 HydrophobicContact CD2-CD1 4.42Å; P201-L205 PolarHBondContact O-N 2.84Å; V203-L205 PolarHBondContact O-N 2.87Å
206M98.9Very high98.7Very high2 Ų28.5 Ų8.51%0.015%0.054CC..SBendtrans-75.8127.7180-62.6-177.1-60.100110.1L21 F34 V203 A204 V214 V216 V225 I237 D239 Y241L21-M206 HydrophobicContact CB-CG 4.05Å; L21-M206 HydrophobicContact CD2-CG 3.67Å; L21-M206 HydrophobicContact CD2-SD 4.09Å; F34-M206 HydrophobicContact CE1-SD 4.13Å; F34-M206 HydrophobicContact CZ-SD 4.35Å; V203-M206 HydrophobicContact CB-CE 4.33Å; V203-M206 HydrophobicContact CG1-CE 3.46Å; V203-M206 VanDerWaalsContact CG1-CE 3.46Å; V203-M206 WeakPolarHBondContact O-CE 3.46Å; V203-M206 PolarHBondContact O-N 3.43Å; V203-M206 VanDerWaalsContact O-N 3.08Å; A204-M206 VanDerWaalsContact C-N 3.31Å; M206-V214 HydrophobicContact CE-CG2 4.49Å; M206-V214 HydrophobicContact SD-CG2 3.92Å; M206-V216 HydrophobicContact CE-CG2 3.89Å; M206-V225 HydrophobicContact CE-CG1 4.01Å; M206-V225 HydrophobicContact CE-CG2 3.87Å; M206-V225 HydrophobicContact SD-CG1 3.71Å; M206-V225 HydrophobicContact SD-CG2 4.36Å; M206-I237 HydrophobicContact CG-CG2 4.24Å; M206-I237 HydrophobicContact SD-CG2 3.67Å; M206-D239 HydrophobicContact CE-CB 4.22Å; M206-Y241 WeakPolarHBondContact O-CE1 3.44Å; M206-Y241 PolarHBondContact O-OH 3.47Å
207N98.8Very high98.7Very high25 Ų258.6 Ų8.613%0.1345%0.054CC..EExtended strand (participates in β ladder)trans-74.4166.2177.5-81.1-47.7000112.1R19 E236 F238 D239 Y241R19-N207 PolarHBondContact O-ND2 3.42Å; N207-E236 PolarHBondContact ND2-OE1 3.02Å; N207-F238 HydrophobicContact CB-CD1 3.85Å; N207-F238 HydrophobicContact CB-CE1 3.83Å; N207-F238 VanDerWaalsContact O-CA 3.3Å; N207-F238 WeakPolarHBondContact O-CA 3.34Å; N207-F238 WeakPolarHBondContact O-CD1 3.3Å; N207-D239 PolarHBondContact O-N 3.21Å; N207-D239 VanDerWaalsContact O-N 3.12Å; N207-Y241 VanDerWaalsContact CA-OH 3.32Å; N207-Y241 WeakPolarHBondContact CA-OH 3.48Å
208H98.8Very high98.7Very high7 Ų78.8 Ų8.83%0.0325%0.052CC..EExtended strand (participates in β ladder)trans-79.4143.8176179.358000113.9C210 D239 Y241 L255 F261H208-C210 PolarHBondContact NE2-SG 3.1Å; H208-D239 CarbonylContact C-O 3.56Å; H208-D239 VanDerWaalsContact CA-O 3.29Å; H208-D239 WeakPolarHBondContact CA-O 3.49Å; H208-D239 PolarHBondContact ND1-O 3.21Å; H208-Y241 HydrophobicContact CB-CD1 4.13Å; H208-Y241 HydrophobicContact CB-CD2 3.72Å; H208-Y241 HydrophobicContact CB-CE1 4.12Å; H208-Y241 HydrophobicContact CB-CE2 3.73Å; H208-Y241 HydrophobicContact CB-CG 3.92Å; H208-Y241 PolarHBondContact N-OH 2.92Å; H208-Y241 AromaticContact ND1-CG 3.99Å; H208-Y241 PolarHBondContact ND1-N 2.95Å; H208-Y241 VanDerWaalsContact ND1-N 3.16Å; H208-L255 VanDerWaalsContact CD2-CD1 3.47Å; H208-L255 WeakPolarHBondContact CD2-CD1 3.33Å; H208-L255 WeakPolarHBondContact NE2-CD1 3.48Å; H208-F261 HydrophobicContact CB-CE1 4.41Å; H208-F261 HydrophobicContact CB-CE2 4.31Å; H208-F261 HydrophobicContact CB-CZ 3.57Å; H208-F261 AromaticContact CD2-CZ 3.75Å; H208-F261 AromaticContact CG-CZ 3.91Å
209S98.8Very high98.7Very high9 Ų912 Ų126%0.0637%0.066CC..  trans-141.2145.8157-179.60000110.9S211 F238 D239S209-S211 WeakPolarHBondContact CB-O 3.43Å; S209-S211 PolarHBondContact O-N 3.29Å; S209-S211 VanDerWaalsContact OG-C 3.28Å; S209-S211 PolarHBondContact OG-N 2.76Å; S209-S211 PolarHBondContact OG-O 2.76Å; S209-F238 VanDerWaalsContact CB-CB 3.48Å; S209-D239 PolarHBondContact N-O 3.46Å
210C98.7Very high98.6Very high7 Ų713 Ų135%0.0478%0.076CC..SBendtrans-77.6-5.8168.9-53.10000113.1H208 L244 R251 C265 E267 C268H208-C210 PolarHBondContact NE2-SG 3.1Å; C210-L244 HydrophobicContact CB-CD2 3.9Å; C210-R251 PolarHBondContact SG-NE 2.6Å; C210-C265 VanDerWaalsContact CB-SG 3.51Å; C210-C265 PolarHBondContact N-SG 3.09Å; C210-C265 VanDerWaalsContact N-SG 3.44Å; C210-E267 HydrophobicContact CB-CB 4.16Å; C210-C268 PolarHBondContact SG-SG 2.96Å
211S97.6Very high98.5Very high36 Ų3614.2 Ų14.225%0.2528%0.084SC..SBendtrans-121.677164.5-59.20000107S209 E267S209-S211 WeakPolarHBondContact CB-O 3.43Å; S209-S211 PolarHBondContact O-N 3.29Å; S209-S211 VanDerWaalsContact OG-C 3.28Å; S209-S211 PolarHBondContact OG-N 2.76Å; S209-S211 PolarHBondContact OG-O 2.76Å; S211-E267 WeakPolarHBondContact OG-CG 3.42Å
212P98.6Very high98.6Very high12 Ų1216.4 Ų16.48%0.07810%0.097CC..  trans-72.6147.3-178.733.2-36.9000110.1F238 L244P212-F238 WeakPolarHBondContact CA-O 3.43Å; P212-F238 VanDerWaalsContact CB-O 3.24Å; P212-F238 WeakPolarHBondContact CB-O 3.02Å; P212-L244 HydrophobicContact CG-CD1 4.22Å
213N98.9Very high98.6Very high13 Ų1316.4 Ų16.47%0.0710%0.097CC..SBendtrans-100.6-2.9174.157.411.4000112.3A227 V228 E229 I231 E236 F238N213-A227 CarbonylContact O-C 3.55Å; N213-A227 WeakPolarHBondContact O-CA 3.29Å; N213-V228 PolarHBondContact O-N 2.88Å; N213-E229 HydrophobicContact CB-CB 4.06Å; N213-E229 PolarHBondContact O-N 2.88Å; N213-I231 HydrophobicContact CB-CD1 4.16Å; N213-I231 HydrophobicContact CB-CG1 4.1Å; N213-E236 PolarHBondContact ND2-O 3.4Å; N213-F238 PolarHBondContact N-O 2.93Å; N213-F238 VanDerWaalsContact N-O 3.12Å; N213-F238 PolarHBondContact OD1-N 3.32Å; N213-F238 PolarHBondContact OD1-O 3.12Å
214V98.9Very high98.6Very high0 Ų017 Ų170%010%0.1CC..EExtended strand (participates in β ladder)trans-130.2163.2168.9-63.90000112.3V33 M206 V225 R226 I231 I237 F238 D239V33-V214 HydrophobicContact CG2-CG1 4Å; M206-V214 HydrophobicContact CE-CG2 4.49Å; M206-V214 HydrophobicContact SD-CG2 3.92Å; V214-V225 HydrophobicContact CB-CG1 3.71Å; V214-V225 HydrophobicContact CG1-CG1 3.89Å; V214-V225 HydrophobicContact CG2-CG1 3.81Å; V214-R226 CarbonylContact C-O 3.45Å; V214-R226 WeakPolarHBondContact CA-O 3.39Å; V214-R226 WeakPolarHBondContact CB-O 3.38Å; V214-I231 HydrophobicContact CG1-CD1 3.76Å; V214-I237 HydrophobicContact CB-CG2 4.29Å; V214-I237 HydrophobicContact CG1-CG2 3.56Å; V214-I237 HydrophobicContact CG2-CG2 3.67Å; V214-F238 VanDerWaalsContact CG2-O 3.24Å; V214-F238 WeakPolarHBondContact CG2-O 3.29Å; V214-F238 PolarHBondContact N-O 3.26Å; V214-D239 HydrophobicContact CG2-CB 4.23Å
215I98.9Very high98.6Very high16 Ų1616.3 Ų16.38%0.0829%0.094CC..EExtended strand (participates in β ladder)trans-126.2140.6165.4-71.8-179000108.7T217 R226 V228 L380 A416I215-T217 HydrophobicContact CG2-CG2 4.05Å; I215-R226 PolarHBondContact N-O 3.08Å; I215-R226 PolarHBondContact O-N 2.95Å; I215-V228 HydrophobicContact CB-CG1 4.08Å; I215-V228 HydrophobicContact CD1-CG1 3.7Å; I215-V228 HydrophobicContact CG1-CG1 3.67Å; I215-V228 HydrophobicContact CG1-CG2 4.22Å; I215-L380 HydrophobicContact CG2-CD1 3.72Å; I215-L380 HydrophobicContact CG2-CD2 4.16Å; I215-L380 HydrophobicContact CG2-CG 3.82Å; I215-A416 HydrophobicContact CD1-CB 4.39Å; I215-A416 HydrophobicContact CG2-CB 4.18Å
216V98.9Very high98.6Very high11 Ų1116.5 Ų16.57%0.06710%0.095CC..EExtended strand (participates in β ladder)trans-91.6130.8170-175.10000109.9V203 M206 Y218 A223 V225 D239V203-V216 HydrophobicContact CG1-CG1 4.22Å; V203-V216 HydrophobicContact CG1-CG2 3.75Å; M206-V216 HydrophobicContact CE-CG2 3.89Å; V216-Y218 HydrophobicContact CG1-CE1 4.09Å; V216-A223 HydrophobicContact CG1-CB 4.05Å; V216-V225 HydrophobicContact CG2-CG2 4.3Å; V216-D239 VanDerWaalsContact CG2-OD2 3.31Å; V216-D239 WeakPolarHBondContact CG2-OD2 3.4Å
217T98.9Very high98.6Very high2 Ų216.4 Ų16.41%0.0129%0.094CC..EExtended strand (participates in β ladder)trans-130.9169.3172.756.40000110.3I215 A223 E224 R226 L380 A416I215-T217 HydrophobicContact CG2-CG2 4.05Å; T217-A223 CarbonylContact O-C 3.58Å; T217-A223 WeakPolarHBondContact O-CA 3.41Å; T217-E224 PolarHBondContact N-O 2.94Å; T217-E224 PolarHBondContact O-N 3.21Å; T217-E224 PolarHBondContact OG1-O 3.33Å; T217-R226 PolarHBondContact OG1-NH1 2.92Å; T217-L380 HydrophobicContact CG2-CD1 4.23Å; T217-L380 HydrophobicContact CG2-CD2 4.19Å; T217-A416 HydrophobicContact CG2-CB 4.22Å; T217-A416 WeakPolarHBondContact CG2-O 3.22Å; T217-A416 PolarHBondContact OG1-O 3.45Å
218Y98.6Very high98.6Very high24 Ų2415.9 Ų15.99%0.0949%0.092CC..EExtended strand (participates in β ladder)trans-124.4127.2-173.5-51.6-73.3000112.6T186 I187 F200 V216 V222 A223 H421T186-Y218 WeakPolarHBondContact O-CE2 3.4Å; T186-Y218 PolarHBondContact O-OH 2.93Å; I187-Y218 HydrophobicContact CB-CD2 4.37Å; I187-Y218 HydrophobicContact CB-CE2 4.45Å; I187-Y218 HydrophobicContact CB-CG 4.43Å; I187-Y218 HydrophobicContact CG1-CD1 4.1Å; I187-Y218 HydrophobicContact CG1-CE1 4.06Å; I187-Y218 HydrophobicContact CG1-CG 4.41Å; I187-Y218 HydrophobicContact CG2-CD1 4.29Å; I187-Y218 HydrophobicContact CG2-CD2 3.88Å; I187-Y218 HydrophobicContact CG2-CE2 4.44Å; I187-Y218 HydrophobicContact CG2-CG 3.78Å; F200-Y218 HydrophobicContact CE2-CD1 4.3Å; F200-Y218 AromaticContact CE2-CE1 3.75Å; F200-Y218 HydrophobicContact CE2-CE1 3.75Å; F200-Y218 HydrophobicContact CZ-CD1 4.16Å; F200-Y218 HydrophobicContact CZ-CE1 4.08Å; V216-Y218 HydrophobicContact CG1-CE1 4.09Å; Y218-V222 WeakPolarHBondContact CA-O 3.34Å; Y218-A223 HydrophobicContact CD1-CB 4.21Å; Y218-A223 HydrophobicContact CE1-CB 4.19Å; Y218-H421 PolarHBondContact O-NE2 3.14Å
219K97.6Very high98.6Very high68 Ų6820.3 Ų20.330%0.29611%0.112SC..EExtended strand (participates in β ladder)trans-107.887.6169.1-171.9176.3-73.9159.30108.5T221 V222 E224 D420K219-T221 PolarHBondContact O-N 3.32Å; K219-V222 PolarHBondContact N-O 3.22Å; K219-V222 PolarHBondContact O-N 2.69Å; K219-E224 WeakPolarHBondContact CE-OE1 3.48Å; K219-E224 IonicContact NZ-OE1 2.77Å; K219-E224 PolarHBondContact NZ-OE1 2.93Å; K219-E224 IonicContact NZ-OE2 2.76Å; K219-D420 IonicContact NZ-OD2 2.94Å
220G96.8Very high98.6Very high21 Ų2124.3 Ų24.322%0.21613%0.13CC..THydrogen-bonded Turntrans64-117.7-16700000110C55C55-G220 WeakPolarHBondContact O-CA 3.37Å
221T98.1Very high98.6Very high25 Ų2524 Ų2415%0.15313%0.128CC..THydrogen-bonded Turntrans-100.117.2179.759.90000113.4A38 Y41 F56 F200 K219A38-T221 VanDerWaalsContact CB-O 3.26Å; A38-T221 WeakPolarHBondContact CB-O 3.21Å; A38-T221 PolarHBondContact N-O 2.92Å; Y41-T221 HydrophobicContact CD1-CG2 4.32Å; Y41-T221 HydrophobicContact CD2-CG2 3.69Å; Y41-T221 HydrophobicContact CE1-CG2 4.22Å; Y41-T221 HydrophobicContact CE2-CG2 3.57Å; Y41-T221 HydrophobicContact CG-CG2 4.06Å; F56-T221 HydrophobicContact CB-CG2 4.2Å; F56-T221 HydrophobicContact CD1-CG2 3.8Å; F56-T221 HydrophobicContact CD2-CG2 4.34Å; F56-T221 HydrophobicContact CE1-CG2 4.24Å; F56-T221 HydrophobicContact CG-CG2 3.85Å; F200-T221 WeakPolarHBondContact CE1-O 3.43Å; K219-T221 PolarHBondContact O-N 3.32Å
222V98.7Very high98.6Very high47 Ų4725.7 Ų25.729%0.28513%0.134SC..EExtended strand (participates in β ladder)trans-108.9122.5176.7-177.50000109A35 Y218 K219A35-V222 HydrophobicContact CB-CG1 4.02Å; Y218-V222 WeakPolarHBondContact CA-O 3.34Å; K219-V222 PolarHBondContact N-O 3.22Å; K219-V222 PolarHBondContact O-N 2.69Å
223A98.9Very high98.6Very high0 Ų028.9 Ų28.90%016%0.155CC..EExtended strand (participates in β ladder)trans-78.7134.1170.300000109.9A35 C36 F200 V203 V216 T217 Y218A35-A223 CarbonylContact C-O 3.32Å; A35-A223 VanDerWaalsContact CA-O 3.28Å; A35-A223 WeakPolarHBondContact CA-O 3.26Å; C36-A223 PolarHBondContact N-O 3.41Å; C36-A223 PolarHBondContact O-N 2.81Å; F200-A223 HydrophobicContact CD1-CB 3.61Å; F200-A223 HydrophobicContact CD2-CB 4.2Å; F200-A223 HydrophobicContact CE1-CB 3.62Å; F200-A223 HydrophobicContact CE2-CB 4.21Å; F200-A223 HydrophobicContact CG-CB 3.91Å; F200-A223 HydrophobicContact CZ-CB 3.94Å; V203-A223 HydrophobicContact CG2-CB 3.99Å; V216-A223 HydrophobicContact CG1-CB 4.05Å; T217-A223 CarbonylContact O-C 3.58Å; T217-A223 WeakPolarHBondContact O-CA 3.41Å; Y218-A223 HydrophobicContact CD1-CB 4.21Å; Y218-A223 HydrophobicContact CE1-CB 4.19Å
224E98.9Very high98.6Very high13 Ų1330.7 Ų30.76%0.06118%0.177CC..EExtended strand (participates in β ladder)trans-119.5125.9174.7-65.4-175.2153.200109.3L32 A35 T217 K219 R226L32-E224 HydrophobicContact CD1-CB 3.88Å; L32-E224 HydrophobicContact CD1-CG 4.34Å; A35-E224 HydrophobicContact CB-CG 4.25Å; T217-E224 PolarHBondContact N-O 2.94Å; T217-E224 PolarHBondContact O-N 3.21Å; T217-E224 PolarHBondContact OG1-O 3.33Å; K219-E224 WeakPolarHBondContact CE-OE1 3.48Å; K219-E224 IonicContact NZ-OE1 2.77Å; K219-E224 PolarHBondContact NZ-OE1 2.93Å; K219-E224 IonicContact NZ-OE2 2.76Å; E224-R226 VanDerWaalsContact CB-NH1 3.27Å; E224-R226 IonicContact OE1-NH2 2.76Å; E224-R226 IonicContact OE2-CZ 3.89Å; E224-R226 IonicContact OE2-NH1 3.15Å; E224-R226 PolarHBondContact OE2-NH1 2.78Å; E224-R226 IonicContact OE2-NH2 2.68Å; E224-R226 PolarHBondContact OE2-NH2 3.36Å
225V98.9Very high98.6Very high0 Ų034.3 Ų34.30%019%0.194CC..EExtended strand (participates in β ladder)trans-103.3116.5-178.8-1760000109.1V33 F34 V203 M206 V214 V216V33-V225 HydrophobicContact CB-CB 4.44Å; V33-V225 HydrophobicContact CB-CG1 4.27Å; V33-V225 HydrophobicContact CG2-CG1 4.41Å; V33-V225 PolarHBondContact N-O 2.91Å; F34-V225 HydrophobicContact CD1-CB 4.08Å; F34-V225 HydrophobicContact CD1-CG2 4.17Å; F34-V225 HydrophobicContact CD2-CG2 4.45Å; F34-V225 HydrophobicContact CE1-CB 3.91Å; F34-V225 HydrophobicContact CE1-CG1 4.14Å; F34-V225 HydrophobicContact CE1-CG2 3.67Å; F34-V225 HydrophobicContact CE2-CG2 4.01Å; F34-V225 HydrophobicContact CZ-CB 4.36Å; F34-V225 HydrophobicContact CZ-CG2 3.6Å; F34-V225 PolarHBondContact O-N 3.27Å; V203-V225 HydrophobicContact CG1-CG2 4.37Å; V203-V225 HydrophobicContact CG2-CG2 4.28Å; M206-V225 HydrophobicContact CE-CG1 4.01Å; M206-V225 HydrophobicContact CE-CG2 3.87Å; M206-V225 HydrophobicContact SD-CG1 3.71Å; M206-V225 HydrophobicContact SD-CG2 4.36Å; V214-V225 HydrophobicContact CB-CG1 3.71Å; V214-V225 HydrophobicContact CG1-CG1 3.89Å; V214-V225 HydrophobicContact CG2-CG1 3.81Å; V216-V225 HydrophobicContact CG2-CG2 4.3Å
226R98.9Very high98.6Very high9 Ų934.8 Ų34.83%0.03420%0.196CC..EExtended strand (participates in β ladder)trans-120.2141.4179.7-72-171.1-178.570.82.2112.5E31 L32 V214 I215 T217 E224 V415 A416 H417E31-R226 VanDerWaalsContact O-CA 3.31Å; E31-R226 WeakPolarHBondContact O-CA 3.43Å; L32-R226 HydrophobicContact CB-CG 4.5Å; L32-R226 HydrophobicContact CD1-CG 4.13Å; V214-R226 CarbonylContact C-O 3.45Å; V214-R226 WeakPolarHBondContact CA-O 3.39Å; V214-R226 WeakPolarHBondContact CB-O 3.38Å; I215-R226 PolarHBondContact N-O 3.08Å; I215-R226 PolarHBondContact O-N 2.95Å; T217-R226 PolarHBondContact OG1-NH1 2.92Å; E224-R226 VanDerWaalsContact CB-NH1 3.27Å; E224-R226 IonicContact OE1-NH2 2.76Å; E224-R226 IonicContact OE2-CZ 3.89Å; E224-R226 IonicContact OE2-NH1 3.15Å; E224-R226 PolarHBondContact OE2-NH1 2.78Å; E224-R226 IonicContact OE2-NH2 2.68Å; E224-R226 PolarHBondContact OE2-NH2 3.36Å; R226-V415 WeakPolarHBondContact CD-O 3.29Å; R226-A416 WeakPolarHBondContact CD-O 3.2Å; R226-H417 PolarHBondContact NH1-O 2.68Å; R226-H417 PolarHBondContact NH2-O 2.94Å; R226-H417 VanDerWaalsContact NH2-O 3.1Å
227A98.9Very high98.6Very high0 Ų034.2 Ų34.20%019%0.192CC..EExtended strand (participates in β ladder)trans-67134.1175.500000111.1F27 A28 G30 E31 V33 N213 I231F27-A227 HydrophobicContact CB-CB 4.29Å; A28-A227 WeakPolarHBondContact O-CB 3.37Å; G30-A227 WeakPolarHBondContact CA-O 3.37Å; G30-A227 PolarHBondContact N-O 3.42Å; E31-A227 PolarHBondContact O-N 3.12Å; V33-A227 HydrophobicContact CG2-CB 4.49Å; N213-A227 CarbonylContact O-C 3.55Å; N213-A227 WeakPolarHBondContact O-CA 3.29Å; A227-I231 HydrophobicContact CB-CD1 3.91Å; A227-I231 HydrophobicContact CB-CG1 4.33Å
228V98.7Very high98.6Very high14 Ų1435.6 Ų35.69%0.08520%0.198CC..SBendtrans-115.5-4.7173.1-66.40000112.9N213 I215 Y378 V415N213-V228 PolarHBondContact O-N 2.88Å; I215-V228 HydrophobicContact CB-CG1 4.08Å; I215-V228 HydrophobicContact CD1-CG1 3.7Å; I215-V228 HydrophobicContact CG1-CG1 3.67Å; I215-V228 HydrophobicContact CG1-CG2 4.22Å; V228-Y378 HydrophobicContact CB-CD2 4.01Å; V228-Y378 HydrophobicContact CB-CG 4.36Å; V228-Y378 HydrophobicContact CG1-CD2 4.47Å; V228-Y378 HydrophobicContact CG1-CG 4.36Å; V228-Y378 WeakPolarHBondContact O-CD2 3.47Å; V228-V415 HydrophobicContact CG1-CG1 4.38Å
229E98.5Very high98.6Very high100 Ų10035.3 Ų35.347%0.46720%0.198SC..SBendtrans-131164.8165.7-60.8-171.4161.800108.2N213N213-E229 HydrophobicContact CB-CB 4.06Å; N213-E229 PolarHBondContact O-N 2.88Å
230E98.6Very high98.6Very high93 Ų9333.3 Ų33.344%0.43519%0.193SC..  trans-67.5132.8169.3-63.7-67.4134.600108.9H26 V29H26-E230 IonicContact CE1-OE2 2.95Å; H26-E230 PolarHBondContact CE1-OE2 3.25Å; H26-E230 IonicContact NE2-OE2 2.91Å; H26-E230 PolarHBondContact NE2-OE2 2.87Å; V29-E230 HydrophobicContact CG2-CG 4.42Å; V29-E230 PolarHBondContact N-OE1 3.44Å; V29-E230 VanDerWaalsContact N-OE1 3.07Å
231I98.8Very high98.7Very high0 Ų035.2 Ų35.20%019%0.194CC..BIsolated β-bridgetrans-119.8116.7-179.1-48.9176.5000109A23 H26 F27 N213 V214 A227 E235 I237A23-I231 HydrophobicContact CB-CG2 3.69Å; H26-I231 CarbonylContact C-O 3.49Å; H26-I231 VanDerWaalsContact CA-O 3.25Å; H26-I231 WeakPolarHBondContact CA-O 3.3Å; F27-I231 HydrophobicContact CB-CB 4.25Å; F27-I231 HydrophobicContact CD2-CB 4.44Å; F27-I231 PolarHBondContact N-O 2.9Å; F27-I231 PolarHBondContact O-N 3.38Å; N213-I231 HydrophobicContact CB-CD1 4.16Å; N213-I231 HydrophobicContact CB-CG1 4.1Å; V214-I231 HydrophobicContact CG1-CD1 3.76Å; A227-I231 HydrophobicContact CB-CD1 3.91Å; A227-I231 HydrophobicContact CB-CG1 4.33Å; I231-E235 WeakPolarHBondContact CA-OE2 3.34Å; I231-E235 HydrophobicContact CG2-CB 4.09Å; I231-I237 HydrophobicContact CG2-CG1 4.43Å
232N98.8Very high98.7Very high71 Ų7135.1 Ų35.138%0.3819%0.192SC..  trans-90.4156.7-179.7-62.8-69.8000112.4G234 E235N232-G234 PolarHBondContact O-N 3.44Å; N232-E235 HydrophobicContact CB-CG 4.21Å; N232-E235 PolarHBondContact N-OE2 3.39Å; N232-E235 PolarHBondContact ND2-OE1 2.74Å; N232-E235 VanDerWaalsContact ND2-OE1 3.12Å; N232-E235 WeakPolarHBondContact O-CB 3.49Å; N232-E235 PolarHBondContact O-N 2.87Å; N232-E235 VanDerWaalsContact O-N 3.07Å
233P98.8Very high98.7Very high79 Ų7935.3 Ų35.351%0.51319%0.191SC..THydrogen-bonded Turntrans-54.1131.6171.7-19.328.4000111.5
234G98.5Very high98.7Very high52 Ų5236 Ų3654%0.53620%0.195SC..THydrogen-bonded Turntrans94.9-15-177.900000114.4R22 A23 N232R22-G234 VanDerWaalsContact CD-O 3.3Å; R22-G234 WeakPolarHBondContact CD-O 3.48Å; A23-G234 PolarHBondContact O-N 3.09Å; N232-G234 PolarHBondContact O-N 3.44Å
235E98.7Very high98.7Very high76 Ų7635.4 Ų35.436%0.35519%0.192SC..PPolyproline II helixtrans-77.5141.2176.5-65.9176.9174.500111.5R22 A23 I231 N232R22-E235 WeakPolarHBondContact CA-O 3.41Å; R22-E235 WeakPolarHBondContact CG-O 3.17Å; A23-E235 PolarHBondContact N-O 2.89Å; I231-E235 WeakPolarHBondContact CA-OE2 3.34Å; I231-E235 HydrophobicContact CG2-CB 4.09Å; N232-E235 HydrophobicContact CB-CG 4.21Å; N232-E235 PolarHBondContact N-OE2 3.39Å; N232-E235 PolarHBondContact ND2-OE1 2.74Å; N232-E235 VanDerWaalsContact ND2-OE1 3.12Å; N232-E235 WeakPolarHBondContact O-CB 3.49Å; N232-E235 PolarHBondContact O-N 2.87Å; N232-E235 VanDerWaalsContact O-N 3.07Å
236E98.8Very high98.7Very high25 Ų2537.7 Ų37.712%0.11720%0.201CC..BIsolated β-bridgetrans-76.1142.7173.5-177.7168.8-169.400110.5F12 S14 N207 N213 F238F12-E236 HydrophobicContact CE1-CB 4.24Å; F12-E236 HydrophobicContact CE1-CG 3.84Å; F12-E236 HydrophobicContact CZ-CB 3.91Å; F12-E236 HydrophobicContact CZ-CG 3.79Å; S14-E236 WeakPolarHBondContact CB-OE1 3.47Å; S14-E236 PolarHBondContact OG-OE1 3.08Å; S14-E236 PolarHBondContact OG-OE2 3.18Å; N207-E236 PolarHBondContact ND2-OE1 3.02Å; N213-E236 PolarHBondContact ND2-O 3.4Å; E236-F238 HydrophobicContact CB-CD2 4.47Å; E236-F238 HydrophobicContact CB-CE1 4.2Å; E236-F238 HydrophobicContact CB-CE2 3.67Å; E236-F238 HydrophobicContact CB-CZ 3.51Å; E236-F238 HydrophobicContact CG-CD1 4.16Å; E236-F238 HydrophobicContact CG-CD2 4.45Å; E236-F238 HydrophobicContact CG-CE1 3.48Å; E236-F238 VanDerWaalsContact CG-CE1 3.48Å; E236-F238 HydrophobicContact CG-CE2 3.86Å; E236-F238 HydrophobicContact CG-CZ 3.33Å; E236-F238 WeakPolarHBondContact O-CD2 3.48Å; E236-F238 WeakPolarHBondContact OE1-CE1 3.29Å; E236-F238 WeakPolarHBondContact OE2-CE1 3.43Å; E236-F238 WeakPolarHBondContact OE2-CZ 3.4Å
237I98.9Very high98.7Very high0 Ų037.6 Ų37.60%020%0.202CC..PPolyproline II helixtrans-95.2121.8179.9-59.9179.1000108.3T9 L21 A23 V33 M206 V214 I231T9-I237 HydrophobicContact CG2-CD1 3.8Å; L21-I237 HydrophobicContact CB-CB 4.39Å; L21-I237 HydrophobicContact CD2-CB 4.26Å; L21-I237 HydrophobicContact CD2-CD1 3.94Å; L21-I237 HydrophobicContact CD2-CG2 4.37Å; L21-I237 HydrophobicContact CG-CB 4.44Å; L21-I237 HydrophobicContact CG-CD1 4.13Å; L21-I237 PolarHBondContact O-N 2.79Å; A23-I237 HydrophobicContact CB-CD1 4.31Å; A23-I237 HydrophobicContact CB-CG1 4.44Å; V33-I237 HydrophobicContact CG1-CD1 3.87Å; M206-I237 HydrophobicContact CG-CG2 4.24Å; M206-I237 HydrophobicContact SD-CG2 3.67Å; V214-I237 HydrophobicContact CB-CG2 4.29Å; V214-I237 HydrophobicContact CG1-CG2 3.56Å; V214-I237 HydrophobicContact CG2-CG2 3.67Å; I231-I237 HydrophobicContact CG2-CG1 4.43Å
238F98.9Very high98.7Very high30 Ų3037.6 Ų37.613%0.13220%0.202CC..EExtended strand (participates in β ladder)trans-122.9132.8-175.4-61.2-70.2000112.3N207 S209 P212 N213 V214 E236N207-F238 HydrophobicContact CB-CD1 3.85Å; N207-F238 HydrophobicContact CB-CE1 3.83Å; N207-F238 VanDerWaalsContact O-CA 3.3Å; N207-F238 WeakPolarHBondContact O-CA 3.34Å; N207-F238 WeakPolarHBondContact O-CD1 3.3Å; S209-F238 VanDerWaalsContact CB-CB 3.48Å; P212-F238 WeakPolarHBondContact CA-O 3.43Å; P212-F238 VanDerWaalsContact CB-O 3.24Å; P212-F238 WeakPolarHBondContact CB-O 3.02Å; N213-F238 PolarHBondContact N-O 2.93Å; N213-F238 VanDerWaalsContact N-O 3.12Å; N213-F238 PolarHBondContact OD1-N 3.32Å; N213-F238 PolarHBondContact OD1-O 3.12Å; V214-F238 VanDerWaalsContact CG2-O 3.24Å; V214-F238 WeakPolarHBondContact CG2-O 3.29Å; V214-F238 PolarHBondContact N-O 3.26Å; E236-F238 HydrophobicContact CB-CD2 4.47Å; E236-F238 HydrophobicContact CB-CE1 4.2Å; E236-F238 HydrophobicContact CB-CE2 3.67Å; E236-F238 HydrophobicContact CB-CZ 3.51Å; E236-F238 HydrophobicContact CG-CD1 4.16Å; E236-F238 HydrophobicContact CG-CD2 4.45Å; E236-F238 HydrophobicContact CG-CE1 3.48Å; E236-F238 VanDerWaalsContact CG-CE1 3.48Å; E236-F238 HydrophobicContact CG-CE2 3.86Å; E236-F238 HydrophobicContact CG-CZ 3.33Å; E236-F238 WeakPolarHBondContact O-CD2 3.48Å; E236-F238 WeakPolarHBondContact OE1-CE1 3.29Å; E236-F238 WeakPolarHBondContact OE2-CE1 3.43Å; E236-F238 WeakPolarHBondContact OE2-CZ 3.4Å
239D98.6Very high98.6Very high19 Ų1942.7 Ų42.710%0.10223%0.225CC..EExtended strand (participates in β ladder)trans-106.2169.5168.4-172.927.8000110.8M206 N207 H208 S209 V214 V216M206-D239 HydrophobicContact CE-CB 4.22Å; N207-D239 PolarHBondContact O-N 3.21Å; N207-D239 VanDerWaalsContact O-N 3.12Å; H208-D239 CarbonylContact C-O 3.56Å; H208-D239 VanDerWaalsContact CA-O 3.29Å; H208-D239 WeakPolarHBondContact CA-O 3.49Å; H208-D239 PolarHBondContact ND1-O 3.21Å; S209-D239 PolarHBondContact N-O 3.46Å; V214-D239 HydrophobicContact CG2-CB 4.23Å; V216-D239 VanDerWaalsContact CG2-OD2 3.31Å; V216-D239 WeakPolarHBondContact CG2-OD2 3.4Å
240S98.7Very high98.6Very high25 Ų2538.9 Ų38.918%0.17521%0.208CC..  trans-101.4122170.5-172.90000111.5I242 L244S240-I242 VanDerWaalsContact C-N 3.27Å; S240-I242 PolarHBondContact O-N 3.34Å; S240-I242 PolarHBondContact OG-O 3.16Å; S240-L244 VanDerWaalsContact OG-CD2 3.24Å; S240-L244 WeakPolarHBondContact OG-CD2 3.3Å; S240-L244 WeakPolarHBondContact OG-CG 3.45Å
241Y98.6Very high98.6Very high62 Ų6234.8 Ų34.824%0.24319%0.188CC..SBendtrans-84.2-5.3178.7-61-4.7000113.4M206 N207 H208 Y259 F261M206-Y241 WeakPolarHBondContact O-CE1 3.44Å; M206-Y241 PolarHBondContact O-OH 3.47Å; N207-Y241 VanDerWaalsContact CA-OH 3.32Å; N207-Y241 WeakPolarHBondContact CA-OH 3.48Å; H208-Y241 HydrophobicContact CB-CD1 4.13Å; H208-Y241 HydrophobicContact CB-CD2 3.72Å; H208-Y241 HydrophobicContact CB-CE1 4.12Å; H208-Y241 HydrophobicContact CB-CE2 3.73Å; H208-Y241 HydrophobicContact CB-CG 3.92Å; H208-Y241 PolarHBondContact N-OH 2.92Å; H208-Y241 AromaticContact ND1-CG 3.99Å; H208-Y241 PolarHBondContact ND1-N 2.95Å; H208-Y241 VanDerWaalsContact ND1-N 3.16Å; Y241-Y259 AromaticContact CD2-CD1 3.92Å; Y241-Y259 HydrophobicContact CD2-CD1 3.92Å; Y241-Y259 HydrophobicContact CD2-CD2 4.12Å; Y241-Y259 AromaticContact CD2-CE1 3.94Å; Y241-Y259 HydrophobicContact CD2-CE1 3.94Å; Y241-Y259 HydrophobicContact CD2-CE2 4.12Å; Y241-Y259 HydrophobicContact CD2-CG 4.01Å; Y241-Y259 HydrophobicContact CE2-CD1 4.36Å; Y241-Y259 HydrophobicContact CG-CE1 4.48Å; Y241-Y259 HydrophobicContact CG-CE2 4.41Å; Y241-Y259 PolarHBondContact O-OH 3.45Å; Y241-F261 HydrophobicContact CD2-CE1 4.38Å; Y241-F261 HydrophobicContact CE2-CE1 4.4Å
242I98.6Very high98.6Very high23 Ų2337.2 Ų37.212%0.11820%0.197CC..SBendtrans-142.3164-169.856.7160.9000110.6S240 L244 R251 R254 L255 Y259S240-I242 VanDerWaalsContact C-N 3.27Å; S240-I242 PolarHBondContact O-N 3.34Å; S240-I242 PolarHBondContact OG-O 3.16Å; I242-L244 PolarHBondContact O-N 3.42Å; I242-R251 HydrophobicContact CD1-CB 3.56Å; I242-R251 HydrophobicContact CD1-CG 3.73Å; I242-R254 HydrophobicContact CG2-CG 3.67Å; I242-L255 HydrophobicContact CD1-CD1 3.99Å; I242-L255 HydrophobicContact CD1-CD2 4.2Å; I242-L255 HydrophobicContact CD1-CG 3.9Å; I242-L255 HydrophobicContact CG1-CD2 4.19Å; I242-L255 HydrophobicContact CG1-CG 4.44Å; I242-L255 HydrophobicContact CG2-CD2 3.78Å; I242-L255 HydrophobicContact CG2-CG 4.29Å; I242-Y259 HydrophobicContact CG2-CE2 4.3Å
243D98.4Very high98.6Very high50 Ų5039 Ų3927%0.26720%0.204SC..  trans-64.9126.2167.2-175.3-16.5000110.6L245 Y246 Y375D243-L245 VanDerWaalsContact C-N 3.34Å; D243-L245 WeakPolarHBondContact OD1-CB 3.29Å; D243-L245 PolarHBondContact OD1-N 3.03Å; D243-Y246 HydrophobicContact CB-CD2 4.25Å; D243-Y246 HydrophobicContact CB-CE2 3.92Å; D243-Y375 VanDerWaalsContact OD1-CE1 3.31Å; D243-Y375 WeakPolarHBondContact OD1-CE1 3.47Å; D243-Y375 PolarHBondContact OD1-OH 3.14Å; D243-Y375 PolarHBondContact OD2-OH 2.98Å
244L98.6Very high98.6Very high16 Ų1641.4 Ų41.48%0.08420%0.202CC..SBendtrans-85-0.3-178.3-62.3-179.9000114.1C210 P212 S240 I242 K277 Y375 P376C210-L244 HydrophobicContact CB-CD2 3.9Å; P212-L244 HydrophobicContact CG-CD1 4.22Å; S240-L244 VanDerWaalsContact OG-CD2 3.24Å; S240-L244 WeakPolarHBondContact OG-CD2 3.3Å; S240-L244 WeakPolarHBondContact OG-CG 3.45Å; I242-L244 PolarHBondContact O-N 3.42Å; L244-K277 PolarHBondContact O-NZ 3.08Å; L244-Y375 HydrophobicContact CB-CD1 4.22Å; L244-Y375 HydrophobicContact CB-CE1 4.38Å; L244-P376 HydrophobicContact CD1-CG 3.61Å
245L98.6Very high98.6Very high0 Ų038.9 Ų38.90%018%0.177CC..SBendtrans-62.2-42.7178.6-177.160.9000112.3D243 K277 V338 L341 Y371 H374 Y375D243-L245 VanDerWaalsContact C-N 3.34Å; D243-L245 WeakPolarHBondContact OD1-CB 3.29Å; D243-L245 PolarHBondContact OD1-N 3.03Å; L245-K277 WeakPolarHBondContact O-CD 3.29Å; L245-K277 WeakPolarHBondContact O-CE 3.45Å; L245-K277 PolarHBondContact O-NZ 2.96Å; L245-K277 VanDerWaalsContact O-NZ 3.1Å; L245-V338 HydrophobicContact CD1-CB 4.47Å; L245-V338 HydrophobicContact CD1-CG1 3.85Å; L245-V338 HydrophobicContact CG-CB 4.16Å; L245-V338 HydrophobicContact CG-CG1 3.98Å; L245-V338 WeakPolarHBondContact O-CG1 3.11Å; L245-L341 HydrophobicContact CD1-CD1 4.39Å; L245-Y371 HydrophobicContact CD1-CD1 4.15Å; L245-Y371 HydrophobicContact CD1-CE1 3.97Å; L245-Y371 HydrophobicContact CD2-CE1 3.71Å; L245-H374 HydrophobicContact CD1-CB 3.92Å; L245-Y375 HydrophobicContact CB-CE1 4.3Å; L245-Y375 HydrophobicContact CB-CE2 4.07Å; L245-Y375 HydrophobicContact CD1-CD2 4.47Å; L245-Y375 HydrophobicContact CD1-CE2 3.92Å; L245-Y375 HydrophobicContact CG-CE2 4.44Å
246Y98.7Very high98.5Very high48 Ų4840.1 Ų40.119%0.18819%0.185CC..SBendtrans-73.3160.3-167.7-56.4-84.1000113.8D243 R251 K277 H342D243-Y246 HydrophobicContact CB-CD2 4.25Å; D243-Y246 HydrophobicContact CB-CE2 3.92Å; Y246-R251 PolarHBondContact O-NH1 3.43Å; Y246-K277 PolarHBondContact O-NZ 3.42Å; Y246-H342 AromaticContact CE1-ND1 3.95Å; Y246-H342 AromaticContact CZ-ND1 3.79Å; Y246-H342 PolarHBondContact OH-CE1 3.49Å; Y246-H342 PolarHBondContact OH-ND1 3Å
247P98.5Very high98.4Very high7 Ų742.4 Ų42.45%0.04520%0.198CC..  trans-65.4165.8176.9-16.132.4000112E249 D250 R251 K277 M278 V338P247-E249 VanDerWaalsContact C-N 3.26Å; P247-E249 PolarHBondContact O-N 3.17Å; P247-D250 WeakPolarHBondContact CD-OD2 3.26Å; P247-D250 PolarHBondContact O-N 3.33Å; P247-R251 WeakPolarHBondContact O-CG 3.42Å; P247-R251 PolarHBondContact O-N 3.48Å; P247-R251 PolarHBondContact O-NH1 3.05Å; P247-K277 HydrophobicContact CG-CB 4.41Å; P247-M278 HydrophobicContact CB-CG 4.33Å; P247-M278 HydrophobicContact CB-SD 4.43Å; P247-M278 HydrophobicContact CG-CG 3.9Å; P247-M278 HydrophobicContact CG-SD 3.48Å; P247-M278 WeakPolarHBondContact CG-SD 3.2Å; P247-V338 HydrophobicContact CG-CG2 4.02Å
248T98.8Very high98.2Very high0 Ų043.6 Ų43.60%021%0.207CC..Hα-helixtrans-58.2-36.3-173.6-62.40000114R251 R252 C268 R271 D274T248-R251 PolarHBondContact OG1-NH2 3.49Å; T248-R251 VanDerWaalsContact OG1-NH2 3.12Å; T248-R252 WeakPolarHBondContact O-CB 3.26Å; T248-R252 WeakPolarHBondContact O-CG 3.38Å; T248-R252 PolarHBondContact O-N 3.34Å; T248-C268 HydrophobicContact CG2-CB 3.95Å; T248-R271 HydrophobicContact CG2-CG 4.15Å; T248-D274 WeakPolarHBondContact CB-OD2 3.07Å; T248-D274 PolarHBondContact N-OD1 3.08Å; T248-D274 PolarHBondContact N-OD2 3.29Å; T248-D274 PolarHBondContact OG1-OD1 3.06Å; T248-D274 PolarHBondContact OG1-OD2 3.46Å; T248-D274 VanDerWaalsContact OG1-OD2 3.1Å
249E98.2Very high98.1Very high121 Ų12144.3 Ų44.357%0.56521%0.209SC*.Hα-helixtrans-64.2-52.5178.5-171.7171.3169.700111.4P247 R251 R252 E253P247-E249 VanDerWaalsContact C-N 3.26Å; P247-E249 PolarHBondContact O-N 3.17Å; E249-R251 VanDerWaalsContact C-N 3.31Å; E249-R251 PolarHBondContact O-N 2.98Å; E249-R252 PolarHBondContact O-N 3.26Å; E249-R252 VanDerWaalsContact O-N 3.09Å; E249-E253 WeakPolarHBondContact O-CB 3.48Å; E249-E253 PolarHBondContact O-N 3.01Å
250D98.6Very high98.1Very high20 Ų2044.6 Ų44.611%0.10721%0.209CC..Hα-helixtrans-60.5-39.7178.8-62.57.6000112P247 E253 R254 K300 Y339P247-D250 WeakPolarHBondContact CD-OD2 3.26Å; P247-D250 PolarHBondContact O-N 3.33Å; D250-E253 PolarHBondContact O-N 3.07Å; D250-R254 WeakPolarHBondContact O-CB 3.46Å; D250-R254 PolarHBondContact O-N 2.95Å; D250-K300 WeakPolarHBondContact OD1-CE 3.39Å; D250-K300 IonicContact OD1-NZ 2.85Å; D250-K300 PolarHBondContact OD1-NZ 3.29Å; D250-Y339 WeakPolarHBondContact OD2-CE1 3.46Å; D250-Y339 PolarHBondContact OD2-OH 2.98Å
251R98.8Very high98Very high7 Ų746.5 Ų46.53%0.02621%0.214CC..Hα-helixtrans-62.7-44.1174.6-67.4-162.4-44.7-78.9-1.7111.7C210 I242 Y246 P247 T248 E249 R254 L255C210-R251 PolarHBondContact SG-NE 2.6Å; I242-R251 HydrophobicContact CD1-CB 3.56Å; I242-R251 HydrophobicContact CD1-CG 3.73Å; Y246-R251 PolarHBondContact O-NH1 3.43Å; P247-R251 WeakPolarHBondContact O-CG 3.42Å; P247-R251 PolarHBondContact O-N 3.48Å; P247-R251 PolarHBondContact O-NH1 3.05Å; T248-R251 PolarHBondContact OG1-NH2 3.49Å; T248-R251 VanDerWaalsContact OG1-NH2 3.12Å; E249-R251 VanDerWaalsContact C-N 3.31Å; E249-R251 PolarHBondContact O-N 2.98Å; R251-R254 PolarHBondContact O-N 3.42Å; R251-L255 WeakPolarHBondContact O-CB 3.49Å; R251-L255 WeakPolarHBondContact O-CD1 3.3Å; R251-L255 WeakPolarHBondContact O-CG 3.38Å; R251-L255 PolarHBondContact O-N 2.85Å
252R98.6Very high98Very high50 Ų5048.7 Ų48.719%0.18923%0.228CC..Hα-helixtrans-68.3-38178.4-78.5178.2170.7168.62.3112.3T248 E249 L255 L256 M262 C263 C268T248-R252 WeakPolarHBondContact O-CB 3.26Å; T248-R252 WeakPolarHBondContact O-CG 3.38Å; T248-R252 PolarHBondContact O-N 3.34Å; E249-R252 PolarHBondContact O-N 3.26Å; E249-R252 VanDerWaalsContact O-N 3.09Å; R252-L255 PolarHBondContact O-N 2.97Å; R252-L256 VanDerWaalsContact O-CB 3.23Å; R252-L256 WeakPolarHBondContact O-CB 3.47Å; R252-L256 PolarHBondContact O-N 3.37Å; R252-M262 HydrophobicContact CG-CG 4.14Å; R252-C263 PolarHBondContact NE-O 3.31Å; R252-C263 PolarHBondContact NH2-O 2.93Å; R252-C263 VanDerWaalsContact NH2-O 3.07Å; R252-C268 PolarHBondContact NH2-O 2.61Å; R252-C268 VanDerWaalsContact NH2-O 3.17Å
253E98.1Very high98Very high110 Ų11047.8 Ų47.851%0.51422%0.224SC..Hα-helixtrans-58.9-50.7174.3-175.7177.3-173.800110.4E249 D250 L255 L256 D257 K300E249-E253 WeakPolarHBondContact O-CB 3.48Å; E249-E253 PolarHBondContact O-N 3.01Å; D250-E253 PolarHBondContact O-N 3.07Å; E253-L255 PolarHBondContact O-N 3.4Å; E253-L256 PolarHBondContact O-N 3.34Å; E253-D257 WeakPolarHBondContact O-CB 3.41Å; E253-D257 PolarHBondContact O-N 3.49Å; E253-K300 IonicContact OE2-NZ 2.69Å; E253-K300 PolarHBondContact OE2-NZ 3.02Å
254R97.8Very high97.9Very high128 Ų12851.7 Ų51.748%0.48324%0.24SC..Hα-helixtrans-61.1-43.5177-179.661.9-179.7150.79112.9I242 D250 R251 D257 S258I242-R254 HydrophobicContact CG2-CG 3.67Å; D250-R254 WeakPolarHBondContact O-CB 3.46Å; D250-R254 PolarHBondContact O-N 2.95Å; R251-R254 PolarHBondContact O-N 3.42Å; R254-D257 IonicContact NH1-OD2 2.74Å; R254-S258 PolarHBondContact NH1-OG 3.14Å; R254-S258 WeakPolarHBondContact O-CB 3.45Å; R254-S258 PolarHBondContact O-N 3.25Å; R254-S258 PolarHBondContact O-OG 3.26Å
255L98.5Very high97.9Very high0 Ų051.4 Ų51.40%024%0.24CC..Hα-helixtrans-67.7-37.2179-70167.3000112.4H208 I242 R251 R252 E253 Y259 F260 F261 C263H208-L255 VanDerWaalsContact CD2-CD1 3.47Å; H208-L255 WeakPolarHBondContact CD2-CD1 3.33Å; H208-L255 WeakPolarHBondContact NE2-CD1 3.48Å; I242-L255 HydrophobicContact CD1-CD1 3.99Å; I242-L255 HydrophobicContact CD1-CD2 4.2Å; I242-L255 HydrophobicContact CD1-CG 3.9Å; I242-L255 HydrophobicContact CG1-CD2 4.19Å; I242-L255 HydrophobicContact CG1-CG 4.44Å; I242-L255 HydrophobicContact CG2-CD2 3.78Å; I242-L255 HydrophobicContact CG2-CG 4.29Å; R251-L255 WeakPolarHBondContact O-CB 3.49Å; R251-L255 WeakPolarHBondContact O-CD1 3.3Å; R251-L255 WeakPolarHBondContact O-CG 3.38Å; R251-L255 PolarHBondContact O-N 2.85Å; R252-L255 PolarHBondContact O-N 2.97Å; E253-L255 PolarHBondContact O-N 3.4Å; L255-Y259 HydrophobicContact CD2-CD2 3.86Å; L255-Y259 HydrophobicContact CD2-CE2 4.32Å; L255-Y259 CarbonylContact O-C 3.57Å; L255-Y259 VanDerWaalsContact O-CA 3.3Å; L255-Y259 WeakPolarHBondContact O-CA 3.25Å; L255-Y259 WeakPolarHBondContact O-CB 3.36Å; L255-Y259 PolarHBondContact O-N 2.91Å; L255-F260 PolarHBondContact O-N 3Å; L255-F261 CarbonylContact C-O 3.48Å; L255-F261 HydrophobicContact CB-CE1 4.36Å; L255-F261 HydrophobicContact CB-CZ 4.23Å; L255-F261 HydrophobicContact CD1-CE2 4.35Å; L255-F261 HydrophobicContact CD1-CZ 4.13Å; L255-F261 HydrophobicContact CD2-CE1 4.04Å; L255-F261 HydrophobicContact CD2-CZ 3.76Å; L255-F261 HydrophobicContact CG-CZ 4.25Å; L255-C263 HydrophobicContact CD1-CB 3.66Å
256L97.8Very high97.8Very high101 Ų10156.6 Ų56.653%0.52927%0.271SS..Hα-helixtrans-68.3-43.4177.1-176.563.6000111.1R252 E253 F260 F261R252-L256 VanDerWaalsContact O-CB 3.23Å; R252-L256 WeakPolarHBondContact O-CB 3.47Å; R252-L256 PolarHBondContact O-N 3.37Å; E253-L256 PolarHBondContact O-N 3.34Å; L256-F260 WeakPolarHBondContact O-CA 3.47Å; L256-F260 PolarHBondContact O-N 3.4Å; L256-F260 VanDerWaalsContact O-N 3.08Å; L256-F261 PolarHBondContact N-O 2.95Å
257D95.9Very high97.7Very high74 Ų7455.9 Ų55.940%0.39627%0.27SS..Hα-helixtrans-66.4-45179.517361.9000112.6K145 E253 R254K145-D257 WeakPolarHBondContact CE-O 3.46Å; K145-D257 IonicContact NZ-OD1 3.63Å; K145-D257 PolarHBondContact NZ-OD1 3.26Å; E253-D257 WeakPolarHBondContact O-CB 3.41Å; E253-D257 PolarHBondContact O-N 3.49Å; R254-D257 IonicContact NH1-OD2 2.74Å
258S94.9Very high97.7Very high25 Ų2555.6 Ų55.618%0.17527%0.268CS..Hα-helixtrans-95.3-25.3-172.7-55.90000115R254R254-S258 PolarHBondContact NH1-OG 3.14Å; R254-S258 WeakPolarHBondContact O-CB 3.45Å; R254-S258 PolarHBondContact O-N 3.25Å; R254-S258 PolarHBondContact O-OG 3.26Å
259Y97.3Very high97.7Very high44 Ų4460.4 Ų60.417%0.17330%0.298CS..Hα-helixtrans-130.33.1-173.6-54.8-79000112.9Y241 I242 L255 F261Y241-Y259 AromaticContact CD2-CD1 3.92Å; Y241-Y259 HydrophobicContact CD2-CD1 3.92Å; Y241-Y259 HydrophobicContact CD2-CD2 4.12Å; Y241-Y259 AromaticContact CD2-CE1 3.94Å; Y241-Y259 HydrophobicContact CD2-CE1 3.94Å; Y241-Y259 HydrophobicContact CD2-CE2 4.12Å; Y241-Y259 HydrophobicContact CD2-CG 4.01Å; Y241-Y259 HydrophobicContact CE2-CD1 4.36Å; Y241-Y259 HydrophobicContact CG-CE1 4.48Å; Y241-Y259 HydrophobicContact CG-CE2 4.41Å; Y241-Y259 PolarHBondContact O-OH 3.45Å; I242-Y259 HydrophobicContact CG2-CE2 4.3Å; L255-Y259 HydrophobicContact CD2-CD2 3.86Å; L255-Y259 HydrophobicContact CD2-CE2 4.32Å; L255-Y259 CarbonylContact O-C 3.57Å; L255-Y259 VanDerWaalsContact O-CA 3.3Å; L255-Y259 WeakPolarHBondContact O-CA 3.25Å; L255-Y259 WeakPolarHBondContact O-CB 3.36Å; L255-Y259 PolarHBondContact O-N 2.91Å; Y259-F261 VanDerWaalsContact C-N 3.26Å; Y259-F261 HydrophobicContact CG-CE1 4.31Å; Y259-F261 WeakPolarHBondContact O-CD1 3.41Å; Y259-F261 PolarHBondContact O-N 3.3Å; Y259-F261 VanDerWaalsContact O-N 3.16Å
260F97.2Very high97.6Very high25 Ų2557.8 Ų57.811%0.1129%0.292CS..SBendtrans58.531.5169.2-45.4-90.2000115.6H137 K140 K145 L255 L256H137-F260 HydrophobicContact CB-CB 4.41Å; H137-F260 HydrophobicContact CB-CD2 3.46Å; H137-F260 VanDerWaalsContact CB-CD2 3.46Å; H137-F260 HydrophobicContact CB-CE2 3.75Å; H137-F260 HydrophobicContact CB-CG 3.95Å; H137-F260 HydrophobicContact CB-CZ 4.44Å; H137-F260 AromaticContact CD2-CD2 3.43Å; H137-F260 VanDerWaalsContact CD2-CD2 3.43Å; H137-F260 WeakPolarHBondContact CD2-CD2 3.32Å; H137-F260 AromaticContact CG-CD2 3.64Å; K140-F260 HydrophobicContact CB-CB 4.25Å; K140-F260 HydrophobicContact CB-CD1 3.58Å; K140-F260 HydrophobicContact CB-CE1 4.14Å; K140-F260 HydrophobicContact CB-CG 4.07Å; K140-F260 HydrophobicContact CD-CB 3.45Å; K140-F260 VanDerWaalsContact CD-CB 3.45Å; K140-F260 HydrophobicContact CD-CD1 4.36Å; K140-F260 HydrophobicContact CD-CG 4.13Å; K140-F260 PolarHBondContact NZ-O 3.06Å; K140-F260 WeakPolarHBondContact O-CE1 3.26Å; K145-F260 HydrophobicContact CD-CE1 4.05Å; K145-F260 HydrophobicContact CD-CZ 3.88Å; L255-F260 PolarHBondContact O-N 3Å; L256-F260 WeakPolarHBondContact O-CA 3.47Å; L256-F260 PolarHBondContact O-N 3.4Å; L256-F260 VanDerWaalsContact O-N 3.08Å
261F97.8Very high97.6Very high66 Ų6662.2 Ų62.229%0.28931%0.307SS..  trans-141.5158.7174.580.7-85.7000112.3H208 Y241 L255 L256 Y259 C263H208-F261 HydrophobicContact CB-CE1 4.41Å; H208-F261 HydrophobicContact CB-CE2 4.31Å; H208-F261 HydrophobicContact CB-CZ 3.57Å; H208-F261 AromaticContact CD2-CZ 3.75Å; H208-F261 AromaticContact CG-CZ 3.91Å; Y241-F261 HydrophobicContact CD2-CE1 4.38Å; Y241-F261 HydrophobicContact CE2-CE1 4.4Å; L255-F261 CarbonylContact C-O 3.48Å; L255-F261 HydrophobicContact CB-CE1 4.36Å; L255-F261 HydrophobicContact CB-CZ 4.23Å; L255-F261 HydrophobicContact CD1-CE2 4.35Å; L255-F261 HydrophobicContact CD1-CZ 4.13Å; L255-F261 HydrophobicContact CD2-CE1 4.04Å; L255-F261 HydrophobicContact CD2-CZ 3.76Å; L255-F261 HydrophobicContact CG-CZ 4.25Å; L256-F261 PolarHBondContact N-O 2.95Å; Y259-F261 VanDerWaalsContact C-N 3.26Å; Y259-F261 HydrophobicContact CG-CE1 4.31Å; Y259-F261 WeakPolarHBondContact O-CD1 3.41Å; Y259-F261 PolarHBondContact O-N 3.3Å; Y259-F261 VanDerWaalsContact O-N 3.16Å; F261-C263 HydrophobicContact CE2-CB 3.98Å
262M97.9Very high97.5Very high107 Ų10765.4 Ų65.453%0.52733%0.331SS..  trans-107.2118.9174.7-177.4176.659.300110.4R252R252-M262 HydrophobicContact CG-CG 4.14Å
263C98.4Very high97.4Very high4 Ų465.5 Ų65.53%0.02733%0.333CS..  trans-68.9135-179-173.10000113.3R252 L255 F261 C268R252-C263 PolarHBondContact NE-O 3.31Å; R252-C263 PolarHBondContact NH2-O 2.93Å; R252-C263 VanDerWaalsContact NH2-O 3.07Å; L255-C263 HydrophobicContact CD1-CB 3.66Å; F261-C263 HydrophobicContact CE2-CB 3.98Å; C263-C268 WeakPolarHBondContact O-CB 3.45Å
264Q97.4Very high97.4Very high132 Ų13261.2 Ų61.262%0.61731%0.314SS*.  trans-120.117-179.7-59.1-178.12.100113.1T269Q264-T269 PolarHBondContact O-OG1 2.86Å
265C97.9Very high97.4Very high11 Ų1163.7 Ų63.77%0.07433%0.328CS..SBendtrans-60.8168.2176.575.10000112.5C210 E267 C268 T269C210-C265 VanDerWaalsContact CB-SG 3.51Å; C210-C265 PolarHBondContact N-SG 3.09Å; C210-C265 VanDerWaalsContact N-SG 3.44Å; C265-E267 VanDerWaalsContact C-N 3.27Å; C265-E267 PolarHBondContact O-N 3.43Å; C265-C268 PolarHBondContact O-N 3.3Å; C265-T269 PolarHBondContact O-N 2.89Å; C265-T269 PolarHBondContact O-OG1 3.32Å
266T96.5Very high97.3Very high108 Ų10865.6 Ų65.666%0.66334%0.344SS*.Hα-helixtrans-52.6-40.6-178-53.80000113.1T269 S270T266-T269 PolarHBondContact O-N 3.11Å; T266-S270 VanDerWaalsContact O-CB 3.25Å; T266-S270 WeakPolarHBondContact O-CB 3.49Å; T266-S270 PolarHBondContact O-N 2.9Å; T266-S270 PolarHBondContact O-OG 3.12Å
267E97.3Very high97.4Very high34 Ų3461 Ų6116%0.15932%0.32CS..Hα-helixtrans-69.5-39178.3-72-72.6-175.100112.8C210 S211 C265 T269 R271 S272C210-E267 HydrophobicContact CB-CB 4.16Å; S211-E267 WeakPolarHBondContact OG-CG 3.42Å; C265-E267 VanDerWaalsContact C-N 3.27Å; C265-E267 PolarHBondContact O-N 3.43Å; E267-T269 VanDerWaalsContact C-N 3.33Å; E267-R271 WeakPolarHBondContact O-CA 3.35Å; E267-R271 PolarHBondContact O-N 2.7Å; E267-S272 PolarHBondContact OE2-OG 3.06Å
268C98.3Very high97.5Very high1 Ų159.5 Ų59.51%0.00731%0.311CS..Hα-helixtrans-71.9-28.9177.4-730000112.8C210 T248 R252 C263 C265C210-C268 PolarHBondContact SG-SG 2.96Å; T248-C268 HydrophobicContact CG2-CB 3.95Å; R252-C268 PolarHBondContact NH2-O 2.61Å; R252-C268 VanDerWaalsContact NH2-O 3.17Å; C263-C268 WeakPolarHBondContact O-CB 3.45Å; C265-C268 PolarHBondContact O-N 3.3Å
269T97.9Very high97.6Very high101 Ų10161.3 Ų61.362%0.6232%0.316SS*.Hα-helixtrans-81.5-46.1178.5-62.50000111.4Q264 C265 T266 E267Q264-T269 PolarHBondContact O-OG1 2.86Å; C265-T269 PolarHBondContact O-N 2.89Å; C265-T269 PolarHBondContact O-OG1 3.32Å; T266-T269 PolarHBondContact O-N 3.11Å; E267-T269 VanDerWaalsContact C-N 3.33Å
270S97.6Very high97.6Very high65 Ų6561.2 Ų61.246%0.45532%0.318SS..Hα-helixtrans-78.4-27-179.565.30000113.8T266 S272T266-S270 VanDerWaalsContact O-CB 3.25Å; T266-S270 WeakPolarHBondContact O-CB 3.49Å; T266-S270 PolarHBondContact O-N 2.9Å; T266-S270 PolarHBondContact O-OG 3.12Å; S270-S272 PolarHBondContact O-N 2.99Å; S270-S272 VanDerWaalsContact O-N 3.14Å; S270-S272 PolarHBondContact OG-N 2.74Å
271R98.1Very high97.5Very high113 Ų11366.5 Ų66.543%0.42634%0.337SS..  trans5230.2-172.3-62-175.2169.4-137.83.4112.9T248 E267 K273 D274T248-R271 HydrophobicContact CG2-CG 4.15Å; E267-R271 WeakPolarHBondContact O-CA 3.35Å; E267-R271 PolarHBondContact O-N 2.7Å; R271-K273 VanDerWaalsContact C-N 3.27Å; R271-K273 PolarHBondContact O-N 2.84Å; R271-D274 HydrophobicContact CB-CB 4.3Å; R271-D274 WeakPolarHBondContact CB-OD2 3.35Å; R271-D274 WeakPolarHBondContact O-CB 3.32Å; R271-D274 PolarHBondContact O-N 3.14Å; R271-D274 VanDerWaalsContact O-N 3.08Å
272S95.9Very high97.3Very high74 Ų7472.6 Ų72.652%0.51736%0.364SS..THydrogen-bonded Turntrans-59.4-36-16677.60000113.5E267 S270E267-S272 PolarHBondContact OE2-OG 3.06Å; S270-S272 PolarHBondContact O-N 2.99Å; S270-S272 VanDerWaalsContact O-N 3.14Å; S270-S272 PolarHBondContact OG-N 2.74Å
273K96.9Very high97Very high52 Ų5271 Ų7123%0.22636%0.357CS..THydrogen-bonded Turntrans-90.8-11-179.2-59.9-171.6-178.8-172.90114.4R271 K275 A276 K277 H374 Y375R271-K273 VanDerWaalsContact C-N 3.27Å; R271-K273 PolarHBondContact O-N 2.84Å; K273-K275 VanDerWaalsContact C-N 3.29Å; K273-K275 PolarHBondContact O-N 2.99Å; K273-A276 PolarHBondContact O-N 3.44Å; K273-K277 HydrophobicContact CB-CD 4.17Å; K273-K277 HydrophobicContact CB-CG 4.48Å; K273-K277 WeakPolarHBondContact O-CB 3.48Å; K273-K277 WeakPolarHBondContact O-CG 3.48Å; K273-K277 PolarHBondContact O-N 3.45Å; K273-H374 PolarHBondContact NZ-O 2.85Å; K273-Y375 PolarHBondContact NZ-O 2.79Å
274D98.4Very high96.6Very high21 Ų2177.5 Ų77.511%0.11240%0.402CS..Hα-helixtrans-60.8-39.1-171.8-76.63.7000111.6T248 R271 A276 K277 M278T248-D274 WeakPolarHBondContact CB-OD2 3.07Å; T248-D274 PolarHBondContact N-OD1 3.08Å; T248-D274 PolarHBondContact N-OD2 3.29Å; T248-D274 PolarHBondContact OG1-OD1 3.06Å; T248-D274 PolarHBondContact OG1-OD2 3.46Å; T248-D274 VanDerWaalsContact OG1-OD2 3.1Å; R271-D274 HydrophobicContact CB-CB 4.3Å; R271-D274 WeakPolarHBondContact CB-OD2 3.35Å; R271-D274 WeakPolarHBondContact O-CB 3.32Å; R271-D274 PolarHBondContact O-N 3.14Å; R271-D274 VanDerWaalsContact O-N 3.08Å; D274-A276 PolarHBondContact O-N 3.07Å; D274-K277 PolarHBondContact O-N 3.22Å; D274-M278 VanDerWaalsContact O-CB 3.27Å; D274-M278 WeakPolarHBondContact O-CB 3.31Å; D274-M278 VanDerWaalsContact O-CG 3.31Å; D274-M278 WeakPolarHBondContact O-CG 3.35Å; D274-M278 PolarHBondContact O-N 2.81Å
275K97Very high96.4Very high179 Ų17975.5 Ų75.578%0.77840%0.403SS*.Hα-helixtrans-60.3-46.3177.7-176.5178.9177.8-179.10112.4K273 M278 E279K273-K275 VanDerWaalsContact C-N 3.29Å; K273-K275 PolarHBondContact O-N 2.99Å; K275-M278 CarbonylContact O-C 3.46Å; K275-M278 PolarHBondContact O-N 3.25Å; K275-E279 PolarHBondContact O-N 2.86Å
276A97.4Very high96.1Very high41 Ų4179.6 Ų79.634%0.33943%0.43SS..Hα-helixtrans-70.8-36.1179.900000111.8K273 D274 M278 E279 H374K273-A276 PolarHBondContact O-N 3.44Å; D274-A276 PolarHBondContact O-N 3.07Å; A276-M278 VanDerWaalsContact C-N 3.28Å; A276-M278 PolarHBondContact O-N 3.44Å; A276-E279 WeakPolarHBondContact O-CB 3.38Å; A276-E279 PolarHBondContact O-N 2.93Å; A276-H374 PolarHBondContact O-CE1 3.44Å; A276-H374 VanDerWaalsContact O-CE1 3.29Å
277K98.5Very high96Very high5 Ų575.5 Ų75.52%0.02241%0.405CS..Hα-helixtrans-65.3-34.7175.4-72.8175.3169.8-168.40112.1L244 L245 Y246 P247 K273 D274 N337 V338L244-K277 PolarHBondContact O-NZ 3.08Å; L245-K277 WeakPolarHBondContact O-CD 3.29Å; L245-K277 WeakPolarHBondContact O-CE 3.45Å; L245-K277 PolarHBondContact O-NZ 2.96Å; L245-K277 VanDerWaalsContact O-NZ 3.1Å; Y246-K277 PolarHBondContact O-NZ 3.42Å; P247-K277 HydrophobicContact CG-CB 4.41Å; K273-K277 HydrophobicContact CB-CD 4.17Å; K273-K277 HydrophobicContact CB-CG 4.48Å; K273-K277 WeakPolarHBondContact O-CB 3.48Å; K273-K277 WeakPolarHBondContact O-CG 3.48Å; K273-K277 PolarHBondContact O-N 3.45Å; D274-K277 PolarHBondContact O-N 3.22Å; K277-N337 WeakPolarHBondContact O-CA 3.49Å; K277-V338 HydrophobicContact CB-CG1 3.6Å; K277-V338 HydrophobicContact CB-CG2 4.34Å; K277-V338 HydrophobicContact CD-CG1 4.45Å; K277-V338 HydrophobicContact CG-CG1 3.73Å; K277-V338 WeakPolarHBondContact O-CG2 3.35Å; K277-V338 PolarHBondContact O-N 2.98Å
278M98Very high95.9Very high42 Ų4279.8 Ų79.821%0.20743%0.425CS..THydrogen-bonded Turntrans-98.129179.2-62.3-59.6-70.900112.8P247 D274 K275 A276 I280 V296 V338 Y339P247-M278 HydrophobicContact CB-CG 4.33Å; P247-M278 HydrophobicContact CB-SD 4.43Å; P247-M278 HydrophobicContact CG-CG 3.9Å; P247-M278 HydrophobicContact CG-SD 3.48Å; P247-M278 WeakPolarHBondContact CG-SD 3.2Å; D274-M278 VanDerWaalsContact O-CB 3.27Å; D274-M278 WeakPolarHBondContact O-CB 3.31Å; D274-M278 VanDerWaalsContact O-CG 3.31Å; D274-M278 WeakPolarHBondContact O-CG 3.35Å; D274-M278 PolarHBondContact O-N 2.81Å; K275-M278 CarbonylContact O-C 3.46Å; K275-M278 PolarHBondContact O-N 3.25Å; A276-M278 VanDerWaalsContact C-N 3.28Å; A276-M278 PolarHBondContact O-N 3.44Å; M278-I280 WeakPolarHBondContact O-CD1 3.2Å; M278-I280 WeakPolarHBondContact O-CG1 3.24Å; M278-I280 PolarHBondContact O-N 3.44Å; M278-V296 HydrophobicContact CE-CG2 3.36Å; M278-V338 HydrophobicContact SD-CG2 4.48Å; M278-Y339 HydrophobicContact CE-CD2 4.43Å; M278-Y339 HydrophobicContact CE-CE2 3.62Å; M278-Y339 HydrophobicContact SD-CD2 4.29Å; M278-Y339 HydrophobicContact SD-CE2 3.54Å; M278-Y339 VanDerWaalsContact SD-CE2 3.54Å
279E97.9Very high95.8Very high63 Ų6384.4 Ų84.429%0.29446%0.455SS..  trans-56.6130.9-176.6-17270.4-170.200110.9K275 A276 A334 N337K275-E279 PolarHBondContact O-N 2.86Å; A276-E279 WeakPolarHBondContact O-CB 3.38Å; A276-E279 PolarHBondContact O-N 2.93Å; E279-A334 HydrophobicContact CB-CB 4.09Å; E279-A334 HydrophobicContact CG-CB 3.66Å; E279-A334 PolarHBondContact O-N 3.35Å; E279-A334 VanDerWaalsContact O-N 3.08Å; E279-N337 PolarHBondContact O-ND2 3.39Å; E279-N337 VanDerWaalsContact O-ND2 3.15Å
280I97.1Very high95.7Very high41 Ų4187.1 Ų87.121%0.2146%0.458CS..BIsolated β-bridgetrans-104.2143.8-178.1-56.3-56.6000108.8M278 P287 I292 I332 F333M278-I280 WeakPolarHBondContact O-CD1 3.2Å; M278-I280 WeakPolarHBondContact O-CG1 3.24Å; M278-I280 PolarHBondContact O-N 3.44Å; I280-P287 HydrophobicContact CG2-CG 3.49Å; I280-P287 VanDerWaalsContact CG2-CG 3.49Å; I280-I292 HydrophobicContact CD1-CD1 4.37Å; I280-I292 HydrophobicContact CD1-CG1 4.32Å; I280-I292 HydrophobicContact CD1-CG2 4.15Å; I280-I292 HydrophobicContact CG1-CD1 4.3Å; I280-I332 HydrophobicContact CD1-CG2 4.23Å; I280-I332 HydrophobicContact CG2-CG2 4.37Å; I280-I332 VanDerWaalsContact CG2-O 3.3Å; I280-I332 WeakPolarHBondContact CG2-O 3.24Å; I280-F333 HydrophobicContact CD1-CD1 3.65Å; I280-F333 HydrophobicContact CD1-CE1 3.87Å
281R95.4Very high95.7Very high137 Ų13788.8 Ų88.852%0.51746%0.458SS..  trans-61.4136.8177-168.6169.6-174.6171.73.3110.4L283 G330 I332R281-L283 HydrophobicContact CB-CD2 4.33Å; R281-L283 HydrophobicContact CB-CG 4.35Å; R281-L283 HydrophobicContact CG-CD2 3.91Å; R281-L283 HydrophobicContact CG-CG 4.39Å; R281-L283 PolarHBondContact O-N 2.82Å; R281-G330 WeakPolarHBondContact CD-O 3.35Å; R281-G330 PolarHBondContact NH1-O 2.85Å; R281-I332 WeakPolarHBondContact CB-O 3.18Å; R281-I332 PolarHBondContact N-O 3.32Å
282K93.2Very high95.6Very high194 Ų19485.6 Ų85.684%0.84345%0.449SS*.  trans-76.192.8174.6-64.7-177.9-176.7176.80109.6
283L91.1Very high95.7Very high72 Ų7288.8 Ų88.838%0.37746%0.456SS..  trans-96.6156.9178.2-60.4178.5000111.1R281 S285R281-L283 HydrophobicContact CB-CD2 4.33Å; R281-L283 HydrophobicContact CB-CG 4.35Å; R281-L283 HydrophobicContact CG-CD2 3.91Å; R281-L283 HydrophobicContact CG-CG 4.39Å; R281-L283 PolarHBondContact O-N 2.82Å; L283-S285 VanDerWaalsContact CB-O 3.22Å; L283-S285 WeakPolarHBondContact CB-O 3.4Å; L283-S285 PolarHBondContact O-N 2.79Å
284S91.7Very high95.7Very high141 Ų14189.7 Ų89.799%0.98647%0.469SS*.SBendtrans-61.4-35.3174.6-53.60000112.3
285S91.6Very high95.7Very high91 Ų9189.6 Ų89.664%0.63647%0.468SS*.SBendtrans-112.3118.1167.1-172.10000107.9L283L283-S285 VanDerWaalsContact CB-O 3.22Å; L283-S285 WeakPolarHBondContact CB-O 3.4Å; L283-S285 PolarHBondContact O-N 2.79Å
286P91.8Very high95.8Very high97 Ų9782.3 Ų82.363%0.6344%0.439SS*.PPolyproline II helixtrans-58.2141174.8-22.233000110.9
287P94.3Very high95.9Very high21 Ų2186 Ų8614%0.13645%0.448CS..PPolyproline II helixtrans-68.8141.5174.827.3-30.8000110.6I280 E291 I292 I332I280-P287 HydrophobicContact CG2-CG 3.49Å; I280-P287 VanDerWaalsContact CG2-CG 3.49Å; P287-E291 WeakPolarHBondContact CA-OE2 3.42Å; P287-E291 HydrophobicContact CB-CB 4.49Å; P287-I292 HydrophobicContact CB-CG1 4.27Å; P287-I292 HydrophobicContact CG-CD1 4.28Å; P287-I292 HydrophobicContact CG-CG1 4.15Å; P287-I332 HydrophobicContact CB-CG2 4.4Å; P287-I332 HydrophobicContact CG-CG2 4.21Å
288E95.4Very high95.9Very high125 Ų12588.2 Ų88.258%0.58446%0.457SS*.PPolyproline II helixtrans-69151.2178-69.2-65.1147.700110.9K290 E291 I292E288-K290 PolarHBondContact O-N 3.14Å; E288-E291 HydrophobicContact CB-CG 4.19Å; E288-E291 PolarHBondContact N-OE2 3.39Å; E288-E291 WeakPolarHBondContact O-CB 3.25Å; E288-E291 PolarHBondContact O-N 3.05Å; E288-I292 PolarHBondContact O-N 2.94Å
289P95.7Very high95.9Very high97 Ų9786.3 Ų86.363%0.6345%0.448SS*.Hα-helixtrans-53.5-34.9-179.5-28.535.3000114.4I292 Q293P289-I292 PolarHBondContact O-N 3.33Å; P289-Q293 PolarHBondContact O-N 2.78Å
290K96.6Very high95.9Very high159 Ų15985.6 Ų85.669%0.69144%0.444SS*.Hα-helixtrans-68.8-33.6177.8-172178.1178.7-1780112.5E288 S294E288-K290 PolarHBondContact O-N 3.14Å; K290-S294 WeakPolarHBondContact O-CB 3.43Å; K290-S294 PolarHBondContact O-N 3.46Å; K290-S294 PolarHBondContact O-OG 2.96Å
291E97Very high96Very high99 Ų9987.4 Ų87.446%0.46345%0.454SS..Hα-helixtrans-69-42.5176.4-62.4179116.800110.3P287 E288 S294 M295 I332P287-E291 WeakPolarHBondContact CA-OE2 3.42Å; P287-E291 HydrophobicContact CB-CB 4.49Å; E288-E291 HydrophobicContact CB-CG 4.19Å; E288-E291 PolarHBondContact N-OE2 3.39Å; E288-E291 WeakPolarHBondContact O-CB 3.25Å; E288-E291 PolarHBondContact O-N 3.05Å; E291-S294 PolarHBondContact O-N 3.44Å; E291-M295 PolarHBondContact O-N 2.81Å; E291-I332 HydrophobicContact CB-CD1 4.05Å
292I97.1Very high96.1Very high46 Ų4681.3 Ų81.324%0.23643%0.432CS..Hα-helixtrans-59.8-50.7174.3-61.4170000110.1I280 P287 E288 P289 S294 M295 V296 I332I280-I292 HydrophobicContact CD1-CD1 4.37Å; I280-I292 HydrophobicContact CD1-CG1 4.32Å; I280-I292 HydrophobicContact CD1-CG2 4.15Å; I280-I292 HydrophobicContact CG1-CD1 4.3Å; P287-I292 HydrophobicContact CB-CG1 4.27Å; P287-I292 HydrophobicContact CG-CD1 4.28Å; P287-I292 HydrophobicContact CG-CG1 4.15Å; E288-I292 PolarHBondContact O-N 2.94Å; P289-I292 PolarHBondContact O-N 3.33Å; I292-S294 VanDerWaalsContact C-N 3.31Å; I292-S294 PolarHBondContact O-N 3.48Å; I292-M295 PolarHBondContact O-N 3.05Å; I292-M295 VanDerWaalsContact O-N 3.11Å; I292-V296 WeakPolarHBondContact O-CG2 3.23Å; I292-V296 PolarHBondContact O-N 2.86Å; I292-I332 HydrophobicContact CG1-CG2 4.25Å
293Q97.3Very high96.3Very high142 Ų14272.8 Ų72.866%0.66440%0.396SS*.Hα-helixtrans-59.7-41.4179.4-171.7-17917.400112.3P289 M295 V296 H297P289-Q293 PolarHBondContact O-N 2.78Å; Q293-M295 VanDerWaalsContact C-N 3.31Å; Q293-M295 PolarHBondContact O-N 3Å; Q293-V296 PolarHBondContact O-N 2.91Å; Q293-H297 PolarHBondContact O-N 3.37Å
294S98.2Very high96.6Very high71 Ų7172.8 Ų72.850%0.49739%0.393SS..Hα-helixtrans-64.1-37.5176.7-57.70000111.6K290 E291 I292 H297 Y298K290-S294 WeakPolarHBondContact O-CB 3.43Å; K290-S294 PolarHBondContact O-N 3.46Å; K290-S294 PolarHBondContact O-OG 2.96Å; E291-S294 PolarHBondContact O-N 3.44Å; I292-S294 VanDerWaalsContact C-N 3.31Å; I292-S294 PolarHBondContact O-N 3.48Å; S294-H297 PolarHBondContact O-N 3.44Å; S294-Y298 WeakPolarHBondContact O-CB 3.4Å; S294-Y298 PolarHBondContact O-N 2.89Å
295M98.6Very high96.9Very high19 Ų1970.9 Ų70.99%0.09437%0.369CS..Hα-helixtrans-71.3-36.2176.9-166.560.174.600112.6E291 I292 Q293 Y298 A299 K328 M329 I332 F333E291-M295 PolarHBondContact O-N 2.81Å; I292-M295 PolarHBondContact O-N 3.05Å; I292-M295 VanDerWaalsContact O-N 3.11Å; Q293-M295 VanDerWaalsContact C-N 3.31Å; Q293-M295 PolarHBondContact O-N 3Å; M295-Y298 PolarHBondContact O-N 3.47Å; M295-Y298 HydrophobicContact SD-CD1 3.64Å; M295-Y298 HydrophobicContact SD-CE1 4.4Å; M295-Y298 HydrophobicContact SD-CG 4.37Å; M295-A299 WeakPolarHBondContact O-CB 3.42Å; M295-A299 PolarHBondContact O-N 3.26Å; M295-K328 HydrophobicContact CE-CG 4.25Å; M295-K328 VanDerWaalsContact CE-O 3.29Å; M295-K328 WeakPolarHBondContact CE-O 3.44Å; M295-K328 HydrophobicContact SD-CG 4.45Å; M295-M329 HydrophobicContact CG-CG 4.42Å; M295-M329 HydrophobicContact SD-CB 4.38Å; M295-M329 HydrophobicContact SD-CG 3.92Å; M295-I332 HydrophobicContact CB-CD1 4.02Å; M295-I332 HydrophobicContact CE-CB 4.45Å; M295-I332 HydrophobicContact CE-CD1 3.78Å; M295-I332 HydrophobicContact CE-CG1 4.11Å; M295-I332 HydrophobicContact CG-CB 4.36Å; M295-I332 HydrophobicContact CG-CD1 4.4Å; M295-F333 HydrophobicContact CB-CE1 4.25Å; M295-F333 HydrophobicContact CB-CE2 4.24Å; M295-F333 HydrophobicContact CB-CZ 3.77Å; M295-F333 HydrophobicContact CG-CD2 4.05Å; M295-F333 HydrophobicContact CG-CE1 4.11Å; M295-F333 HydrophobicContact CG-CE2 3.51Å; M295-F333 HydrophobicContact CG-CZ 3.53Å
296V98.4Very high97.2Very high26 Ų2666.7 Ų66.716%0.15834%0.339CS..Hα-helixtrans-61.9-45.9172.2173.40000110.7M278 I292 Q293 Y298 A299 K300 F333 Y339M278-V296 HydrophobicContact CE-CG2 3.36Å; I292-V296 WeakPolarHBondContact O-CG2 3.23Å; I292-V296 PolarHBondContact O-N 2.86Å; Q293-V296 PolarHBondContact O-N 2.91Å; V296-Y298 VanDerWaalsContact C-N 3.34Å; V296-Y298 PolarHBondContact O-N 3.37Å; V296-A299 PolarHBondContact O-N 3.12Å; V296-K300 PolarHBondContact O-N 3.03Å; V296-F333 HydrophobicContact CG2-CE1 4.45Å; V296-F333 HydrophobicContact CG2-CZ 3.86Å; V296-Y339 HydrophobicContact CG1-CE2 4.16Å; V296-Y339 HydrophobicContact CG2-CE2 4.12Å
297H98.3Very high97.3Very high117 Ų11768.3 Ų68.354%0.54233%0.333SS..Hα-helixtrans-61-43.9176.3-176.768.3000111.7Q293 S294 A299 K300 N301Q293-H297 PolarHBondContact O-N 3.37Å; S294-H297 PolarHBondContact O-N 3.44Å; H297-A299 PolarHBondContact O-N 3.37Å; H297-K300 PolarHBondContact O-N 3.37Å; H297-N301 PolarHBondContact CD2-ND2 2.9Å; H297-N301 PolarHBondContact NE2-ND2 3.15Å; H297-N301 PolarHBondContact O-N 3.35Å; H297-N301 PolarHBondContact O-ND2 3.44Å
298Y98.6Very high97.4Very high53 Ų5375.4 Ų75.421%0.20836%0.357CS..Hα-helixtrans-57.7-47.6173.1170.3-103.7000112S294 M295 V296 K300 N301 V302 S325 K328 M329S294-Y298 WeakPolarHBondContact O-CB 3.4Å; S294-Y298 PolarHBondContact O-N 2.89Å; M295-Y298 PolarHBondContact O-N 3.47Å; M295-Y298 HydrophobicContact SD-CD1 3.64Å; M295-Y298 HydrophobicContact SD-CE1 4.4Å; M295-Y298 HydrophobicContact SD-CG 4.37Å; V296-Y298 VanDerWaalsContact C-N 3.34Å; V296-Y298 PolarHBondContact O-N 3.37Å; Y298-K300 PolarHBondContact O-N 2.89Å; Y298-N301 PolarHBondContact O-N 3.41Å; Y298-V302 HydrophobicContact CD1-CG2 4.44Å; Y298-V302 HydrophobicContact CD2-CG2 3.98Å; Y298-V302 HydrophobicContact CE1-CG2 3.96Å; Y298-V302 HydrophobicContact CE2-CG2 3.41Å; Y298-V302 VanDerWaalsContact CE2-CG2 3.41Å; Y298-V302 HydrophobicContact CG-CG2 4.46Å; Y298-V302 WeakPolarHBondContact O-CG2 3.36Å; Y298-V302 PolarHBondContact O-N 3.04Å; Y298-S325 WeakPolarHBondContact OH-CA 3.47Å; Y298-K328 HydrophobicContact CD1-CD 4.3Å; Y298-K328 HydrophobicContact CD1-CG 4.4Å; Y298-K328 HydrophobicContact CD2-CD 4.42Å; Y298-K328 VanDerWaalsContact CD2-NZ 3.31Å; Y298-K328 HydrophobicContact CE1-CB 4.14Å; Y298-K328 HydrophobicContact CE1-CD 3.73Å; Y298-K328 HydrophobicContact CE1-CG 3.87Å; Y298-K328 HydrophobicContact CE2-CD 3.9Å; Y298-K328 VanDerWaalsContact CE2-NZ 3.25Å; Y298-M329 HydrophobicContact CD1-CG 3.97Å; Y298-M329 HydrophobicContact CE1-CG 3.86Å
299A98.6Very high97.4Very high2 Ų269.5 Ų69.52%0.01733%0.329CS..Hα-helixtrans-59.3-47.9179.900000112.3M295 V296 H297 N301 V302 I303 M329 F333 Y339M295-A299 WeakPolarHBondContact O-CB 3.42Å; M295-A299 PolarHBondContact O-N 3.26Å; V296-A299 PolarHBondContact O-N 3.12Å; H297-A299 PolarHBondContact O-N 3.37Å; A299-N301 VanDerWaalsContact C-N 3.33Å; A299-N301 PolarHBondContact O-N 2.85Å; A299-V302 PolarHBondContact O-N 3.46Å; A299-I303 VanDerWaalsContact O-CG1 3.3Å; A299-I303 WeakPolarHBondContact O-CG1 3.46Å; A299-I303 PolarHBondContact O-N 3.26Å; A299-M329 HydrophobicContact CB-SD 3.6Å; A299-F333 HydrophobicContact CB-CE2 4.35Å; A299-Y339 HydrophobicContact CB-CD1 3.85Å; A299-Y339 HydrophobicContact CB-CD2 4.05Å; A299-Y339 HydrophobicContact CB-CG 3.61Å
300K98.3Very high97.2Very high48 Ų4869.6 Ų69.621%0.20932%0.32CS..Hα-helixtrans-58-45.4176-71.8-170.9174-165.40111.7D250 E253 V296 H297 Y298 V302 I303 E304D250-K300 WeakPolarHBondContact OD1-CE 3.39Å; D250-K300 IonicContact OD1-NZ 2.85Å; D250-K300 PolarHBondContact OD1-NZ 3.29Å; E253-K300 IonicContact OE2-NZ 2.69Å; E253-K300 PolarHBondContact OE2-NZ 3.02Å; V296-K300 PolarHBondContact O-N 3.03Å; H297-K300 PolarHBondContact O-N 3.37Å; Y298-K300 PolarHBondContact O-N 2.89Å; K300-V302 PolarHBondContact O-N 2.96Å; K300-I303 PolarHBondContact O-N 3.23Å; K300-E304 PolarHBondContact O-N 3.14Å
301N98.1Very high97Very high79 Ų7969.7 Ų69.742%0.42232%0.323SS..Hα-helixtrans-63.4-42.3179.3-67.8-13000112.1H297 Y298 A299 E304 E305H297-N301 PolarHBondContact CD2-ND2 2.9Å; H297-N301 PolarHBondContact NE2-ND2 3.15Å; H297-N301 PolarHBondContact O-N 3.35Å; H297-N301 PolarHBondContact O-ND2 3.44Å; Y298-N301 PolarHBondContact O-N 3.41Å; A299-N301 VanDerWaalsContact C-N 3.33Å; A299-N301 PolarHBondContact O-N 2.85Å; N301-E304 PolarHBondContact O-N 2.9Å; N301-E305 WeakPolarHBondContact O-CB 3.44Å; N301-E305 PolarHBondContact O-N 3.4Å
302V98.1Very high96.8Very high8 Ų872.5 Ų72.55%0.04833%0.33CS..Hα-helixtrans-65.7-38.5178.1170.50000111.7Y298 A299 K300 E304 E305 F306 M343Y298-V302 HydrophobicContact CD1-CG2 4.44Å; Y298-V302 HydrophobicContact CD2-CG2 3.98Å; Y298-V302 HydrophobicContact CE1-CG2 3.96Å; Y298-V302 HydrophobicContact CE2-CG2 3.41Å; Y298-V302 VanDerWaalsContact CE2-CG2 3.41Å; Y298-V302 HydrophobicContact CG-CG2 4.46Å; Y298-V302 WeakPolarHBondContact O-CG2 3.36Å; Y298-V302 PolarHBondContact O-N 3.04Å; A299-V302 PolarHBondContact O-N 3.46Å; K300-V302 PolarHBondContact O-N 2.96Å; V302-E304 VanDerWaalsContact C-N 3.32Å; V302-E304 PolarHBondContact O-N 3.25Å; V302-E305 PolarHBondContact O-N 2.89Å; V302-F306 VanDerWaalsContact O-CB 3.23Å; V302-F306 WeakPolarHBondContact O-CB 3.48Å; V302-F306 PolarHBondContact O-N 3.32Å; V302-M343 HydrophobicContact CG1-CE 3.93Å; V302-M343 HydrophobicContact CG1-SD 3.97Å
303I98.1Very high96.7Very high16 Ų1673.2 Ų73.28%0.08233%0.331CS..Hα-helixtrans-59.6-45.9176.3-71.7171.2000110.5A299 K300 R307 Y339 H342 M343A299-I303 VanDerWaalsContact O-CG1 3.3Å; A299-I303 WeakPolarHBondContact O-CG1 3.46Å; A299-I303 PolarHBondContact O-N 3.26Å; K300-I303 PolarHBondContact O-N 3.23Å; I303-R307 PolarHBondContact O-N 2.82Å; I303-Y339 HydrophobicContact CD1-CD1 3.91Å; I303-H342 HydrophobicContact CD1-CB 4.23Å; I303-M343 HydrophobicContact CG1-SD 4.36Å
304E96.8Very high96.7Very high71 Ų7170.1 Ų70.133%0.33232%0.32SS..Hα-helixtrans-69.8-39.5177.8-68.5-56.6130.400112.6K300 N301 V302 R307 R308K300-E304 PolarHBondContact O-N 3.14Å; N301-E304 PolarHBondContact O-N 2.9Å; V302-E304 VanDerWaalsContact C-N 3.32Å; V302-E304 PolarHBondContact O-N 3.25Å; E304-R307 PolarHBondContact O-N 2.86Å; E304-R307 IonicContact OE1-CZ 3.48Å; E304-R307 IonicContact OE1-NH1 3.44Å; E304-R307 PolarHBondContact OE1-NH1 3.36Å; E304-R307 IonicContact OE1-NH2 2.97Å; E304-R307 PolarHBondContact OE1-NH2 3.46Å; E304-R307 IonicContact OE2-CZ 3.69Å; E304-R307 IonicContact OE2-NH1 3.87Å; E304-R307 PolarHBondContact OE2-NH1 3.35Å; E304-R308 WeakPolarHBondContact O-CG 3.37Å; E304-R308 PolarHBondContact O-N 2.81Å
305E97.4Very high96.7Very high102 Ų10268.5 Ų68.548%0.47731%0.307SS..Hα-helixtrans-61.6-45.6174.7-172.6-175.6167.100111.1N301 V302 R307 R308 A309 M321N301-E305 WeakPolarHBondContact O-CB 3.44Å; N301-E305 PolarHBondContact O-N 3.4Å; V302-E305 PolarHBondContact O-N 2.89Å; E305-R307 VanDerWaalsContact C-N 3.33Å; E305-R307 PolarHBondContact O-N 2.75Å; E305-R308 PolarHBondContact O-N 2.8Å; E305-A309 VanDerWaalsContact O-CB 3.28Å; E305-A309 WeakPolarHBondContact O-CB 3.36Å; E305-A309 PolarHBondContact O-N 3.2Å; E305-M321 HydrophobicContact CG-CE 3.94Å
306F97.9Very high96.6Very high2 Ų271.4 Ų71.41%0.00933%0.33CS..Hα-helixtrans-62.6-39.8177.7-173.6-95.1000112V302 R308 A309 K310 L318 M321 C322 M343 Q346 V350V302-F306 VanDerWaalsContact O-CB 3.23Å; V302-F306 WeakPolarHBondContact O-CB 3.48Å; V302-F306 PolarHBondContact O-N 3.32Å; F306-R308 VanDerWaalsContact C-N 3.3Å; F306-R308 PolarHBondContact O-N 2.89Å; F306-A309 PolarHBondContact O-N 3.08Å; F306-K310 HydrophobicContact CD1-CD 4.08Å; F306-K310 HydrophobicContact CD1-CG 4.33Å; F306-K310 HydrophobicContact CE1-CD 3.74Å; F306-K310 HydrophobicContact CE1-CG 3.95Å; F306-K310 HydrophobicContact CZ-CD 4.48Å; F306-K310 HydrophobicContact CZ-CG 4.27Å; F306-K310 WeakPolarHBondContact O-CG 3.32Å; F306-K310 PolarHBondContact O-N 3.49Å; F306-K310 VanDerWaalsContact O-N 3.12Å; F306-L318 HydrophobicContact CD2-CD2 4.15Å; F306-L318 HydrophobicContact CE2-CB 3.86Å; F306-L318 HydrophobicContact CE2-CD2 3.76Å; F306-L318 HydrophobicContact CE2-CG 4.37Å; F306-L318 WeakPolarHBondContact CE2-O 3.43Å; F306-L318 HydrophobicContact CZ-CB 4.31Å; F306-L318 HydrophobicContact CZ-CD2 4.3Å; F306-M321 HydrophobicContact CB-CE 4.45Å; F306-M321 HydrophobicContact CD2-CB 4.37Å; F306-M321 HydrophobicContact CD2-CE 4.37Å; F306-C322 WeakPolarHBondContact CE2-SG 3.09Å; F306-M343 HydrophobicContact CD2-CE 4.22Å; F306-M343 HydrophobicContact CG-CE 4.33Å; F306-Q346 HydrophobicContact CD1-CB 4.09Å; F306-Q346 HydrophobicContact CD1-CG 3.74Å; F306-Q346 HydrophobicContact CE1-CB 3.43Å; F306-Q346 VanDerWaalsContact CE1-CB 3.43Å; F306-Q346 HydrophobicContact CE1-CG 3.49Å; F306-Q346 VanDerWaalsContact CE1-CG 3.49Å; F306-Q346 HydrophobicContact CE2-CB 4.46Å; F306-Q346 HydrophobicContact CZ-CB 3.68Å; F306-Q346 HydrophobicContact CZ-CG 4.25Å; F306-V350 HydrophobicContact CZ-CG2 4.13Å
307R95Very high96.6Very high132 Ų13273.2 Ų73.250%0.49834%0.336SS..Hα-helixtrans-57.2-43.7174.7-172.4-176.1-66.7144.910.6111.4I303 E304 E305 H311I303-R307 PolarHBondContact O-N 2.82Å; E304-R307 PolarHBondContact O-N 2.86Å; E304-R307 IonicContact OE1-CZ 3.48Å; E304-R307 IonicContact OE1-NH1 3.44Å; E304-R307 PolarHBondContact OE1-NH1 3.36Å; E304-R307 IonicContact OE1-NH2 2.97Å; E304-R307 PolarHBondContact OE1-NH2 3.46Å; E304-R307 IonicContact OE2-CZ 3.69Å; E304-R307 IonicContact OE2-NH1 3.87Å; E304-R307 PolarHBondContact OE2-NH1 3.35Å; E305-R307 VanDerWaalsContact C-N 3.33Å; E305-R307 PolarHBondContact O-N 2.75Å; R307-H311 PolarHBondContact O-CD2 2.85Å
308R95.4Very high96.6Very high170 Ų17068.3 Ų68.364%0.64231%0.314SS*.Hα-helixtrans-70.3-45.5176.8-61.9174-160.5-165.51.6111.5E304 E305 F306 K310 H311 Y312E304-R308 WeakPolarHBondContact O-CG 3.37Å; E304-R308 PolarHBondContact O-N 2.81Å; E305-R308 PolarHBondContact O-N 2.8Å; F306-R308 VanDerWaalsContact C-N 3.3Å; F306-R308 PolarHBondContact O-N 2.89Å; R308-K310 VanDerWaalsContact C-N 3.26Å; R308-K310 PolarHBondContact O-N 2.8Å; R308-H311 PolarHBondContact O-N 2.87Å; R308-H311 VanDerWaalsContact O-N 3.14Å; R308-Y312 HydrophobicContact CB-CE1 4.4Å; R308-Y312 WeakPolarHBondContact O-CD1 3.33Å; R308-Y312 WeakPolarHBondContact O-CE1 3.25Å
309A96.1Very high96.6Very high0 Ų066.9 Ų66.90%031%0.31CS..Hα-helixtrans-55.5-37.1-177.400000113.6E305 F306 H311 Y312 K313 L318 M321E305-A309 VanDerWaalsContact O-CB 3.28Å; E305-A309 WeakPolarHBondContact O-CB 3.36Å; E305-A309 PolarHBondContact O-N 3.2Å; F306-A309 PolarHBondContact O-N 3.08Å; A309-H311 PolarHBondContact O-N 3.19Å; A309-Y312 PolarHBondContact O-N 2.92Å; A309-K313 HydrophobicContact CB-CB 4.5Å; A309-K313 HydrophobicContact CB-CD 3.87Å; A309-K313 HydrophobicContact CB-CG 4.26Å; A309-K313 WeakPolarHBondContact O-CB 3.4Å; A309-K313 PolarHBondContact O-N 3.12Å; A309-L318 HydrophobicContact CB-CD2 3.77Å; A309-M321 HydrophobicContact CB-CE 3.81Å; A309-M321 HydrophobicContact CB-SD 3.79Å
310K92.4Very high96.6Very high99 Ų9972.1 Ų72.143%0.4333%0.334SS..THydrogen-bonded Turntrans-52.6-24177.7-83.3170.6148.9167.80114.8F306 R308 L318F306-K310 HydrophobicContact CD1-CD 4.08Å; F306-K310 HydrophobicContact CD1-CG 4.33Å; F306-K310 HydrophobicContact CE1-CD 3.74Å; F306-K310 HydrophobicContact CE1-CG 3.95Å; F306-K310 HydrophobicContact CZ-CD 4.48Å; F306-K310 HydrophobicContact CZ-CG 4.27Å; F306-K310 WeakPolarHBondContact O-CG 3.32Å; F306-K310 PolarHBondContact O-N 3.49Å; F306-K310 VanDerWaalsContact O-N 3.12Å; R308-K310 VanDerWaalsContact C-N 3.26Å; R308-K310 PolarHBondContact O-N 2.8Å; K310-L318 HydrophobicContact CG-CD1 4.22Å; K310-L318 HydrophobicContact CG-CD2 4.27Å
311H90.8Very high96.6Very high162 Ų16271.2 Ų71.275%0.7533%0.331SS*.THydrogen-bonded Turntrans-85.1-15.3-178.3-63.6-70.7000114.2R307 R308 A309R307-H311 PolarHBondContact O-CD2 2.85Å; R308-H311 PolarHBondContact O-N 2.87Å; R308-H311 VanDerWaalsContact O-N 3.14Å; A309-H311 PolarHBondContact O-N 3.19Å
312Y93.6Very high96.6Very high157 Ų15767.4 Ų67.462%0.61631%0.31SS*.THydrogen-bonded Turntrans-141.6-17.3-173.662.1-95000115.3R308 A309R308-Y312 HydrophobicContact CB-CE1 4.4Å; R308-Y312 WeakPolarHBondContact O-CD1 3.33Å; R308-Y312 WeakPolarHBondContact O-CE1 3.25Å; A309-Y312 PolarHBondContact O-N 2.92Å
313K95.9Very high96.7Very high62 Ų6271.6 Ų71.627%0.2733%0.329SS..SBendtrans-88149175.4-74.1-170.1164-81.40111.4A309 E317 L318 M321A309-K313 HydrophobicContact CB-CB 4.5Å; A309-K313 HydrophobicContact CB-CD 3.87Å; A309-K313 HydrophobicContact CB-CG 4.26Å; A309-K313 WeakPolarHBondContact O-CB 3.4Å; A309-K313 PolarHBondContact O-N 3.12Å; K313-E317 HydrophobicContact CB-CB 4.15Å; K313-E317 HydrophobicContact CD-CB 4.15Å; K313-E317 HydrophobicContact CG-CB 4.45Å; K313-E317 IonicContact NZ-OE1 2.94Å; K313-E317 PolarHBondContact NZ-OE1 2.94Å; K313-L318 HydrophobicContact CB-CD2 3.97Å; K313-L318 HydrophobicContact CB-CG 4.09Å; K313-M321 HydrophobicContact CD-SD 3.54Å; K313-M321 VanDerWaalsContact CD-SD 3.54Å
314N97.1Very high96.7Very high77 Ų7775.2 Ų75.241%0.41235%0.349SS..  trans-77.7163.2174.874.561.9000111.5S316 E317 L318N314-S316 VanDerWaalsContact C-N 3.32Å; N314-S316 PolarHBondContact O-N 3.13Å; N314-S316 WeakPolarHBondContact OD1-CB 3.42Å; N314-S316 PolarHBondContact OD1-N 3.43Å; N314-E317 VanDerWaalsContact CG-OE2 3.3Å; N314-E317 PolarHBondContact N-OE2 3.41Å; N314-E317 WeakPolarHBondContact ND2-CG 3.39Å; N314-E317 PolarHBondContact ND2-OE2 2.82Å; N314-E317 PolarHBondContact O-N 3.34Å; N314-E317 PolarHBondContact OD1-N 3.14Å; N314-E317 VanDerWaalsContact OD1-N 3.14Å; N314-L318 WeakPolarHBondContact O-CG 3.39Å; N314-L318 PolarHBondContact O-N 3.35Å; N314-L318 VanDerWaalsContact O-N 3.1Å
315P97.6Very high96.8Very high36 Ų3671.9 Ų71.923%0.23433%0.333CS..Hα-helixtrans-56.3-38.2-176.5-28.636.7000114.9L318 L319 V350 Y353 M354P315-L318 PolarHBondContact O-N 2.91Å; P315-L319 PolarHBondContact O-N 3.38Å; P315-V350 HydrophobicContact CB-CG1 4.08Å; P315-V350 WeakPolarHBondContact O-CG1 3.23Å; P315-Y353 HydrophobicContact CB-CD1 4.24Å; P315-Y353 HydrophobicContact CG-CD1 3.64Å; P315-Y353 HydrophobicContact CG-CE1 3.55Å; P315-M354 HydrophobicContact CB-CG 3.55Å; P315-M354 HydrophobicContact CB-SD 3.56Å; P315-M354 VanDerWaalsContact CB-SD 3.56Å; P315-M354 HydrophobicContact CG-CG 4.39Å
316S97.1Very high96.8Very high81 Ų8168 Ų6857%0.56632%0.315SS*.Hα-helixtrans-67.7-40.8-179.5-56.40000111.9N314 L318 L319 E320N314-S316 VanDerWaalsContact C-N 3.32Å; N314-S316 PolarHBondContact O-N 3.13Å; N314-S316 WeakPolarHBondContact OD1-CB 3.42Å; N314-S316 PolarHBondContact OD1-N 3.43Å; S316-L318 VanDerWaalsContact C-N 3.31Å; S316-L318 PolarHBondContact O-N 3.15Å; S316-L319 PolarHBondContact O-N 3.48Å; S316-E320 WeakPolarHBondContact O-CB 3.25Å; S316-E320 PolarHBondContact O-N 3.13Å
317E98.1Very high96.9Very high63 Ų6374.9 Ų74.929%0.29435%0.348SS..Hα-helixtrans-63.5-38173.5-66.1175.993.500111.8K313 N314 E320 M321K313-E317 HydrophobicContact CB-CB 4.15Å; K313-E317 HydrophobicContact CD-CB 4.15Å; K313-E317 HydrophobicContact CG-CB 4.45Å; K313-E317 IonicContact NZ-OE1 2.94Å; K313-E317 PolarHBondContact NZ-OE1 2.94Å; N314-E317 VanDerWaalsContact CG-OE2 3.3Å; N314-E317 PolarHBondContact N-OE2 3.41Å; N314-E317 WeakPolarHBondContact ND2-CG 3.39Å; N314-E317 PolarHBondContact ND2-OE2 2.82Å; N314-E317 PolarHBondContact O-N 3.34Å; N314-E317 PolarHBondContact OD1-N 3.14Å; N314-E317 VanDerWaalsContact OD1-N 3.14Å; E317-E320 PolarHBondContact O-N 2.74Å; E317-M321 VanDerWaalsContact O-CG 3.29Å; E317-M321 WeakPolarHBondContact O-CG 3.49Å; E317-M321 PolarHBondContact O-N 2.98Å
318L98.4Very high97Very high15 Ų1573.7 Ų73.78%0.07935%0.346CS..Hα-helixtrans-66.5-41.4177-68.3173.5000111.6F306 A309 K310 K313 N314 P315 S316 M321 C322 V350F306-L318 HydrophobicContact CD2-CD2 4.15Å; F306-L318 HydrophobicContact CE2-CB 3.86Å; F306-L318 HydrophobicContact CE2-CD2 3.76Å; F306-L318 HydrophobicContact CE2-CG 4.37Å; F306-L318 WeakPolarHBondContact CE2-O 3.43Å; F306-L318 HydrophobicContact CZ-CB 4.31Å; F306-L318 HydrophobicContact CZ-CD2 4.3Å; A309-L318 HydrophobicContact CB-CD2 3.77Å; K310-L318 HydrophobicContact CG-CD1 4.22Å; K310-L318 HydrophobicContact CG-CD2 4.27Å; K313-L318 HydrophobicContact CB-CD2 3.97Å; K313-L318 HydrophobicContact CB-CG 4.09Å; N314-L318 WeakPolarHBondContact O-CG 3.39Å; N314-L318 PolarHBondContact O-N 3.35Å; N314-L318 VanDerWaalsContact O-N 3.1Å; P315-L318 PolarHBondContact O-N 2.91Å; S316-L318 VanDerWaalsContact C-N 3.31Å; S316-L318 PolarHBondContact O-N 3.15Å; L318-M321 HydrophobicContact CD2-SD 4.36Å; L318-M321 PolarHBondContact O-N 3.41Å; L318-C322 PolarHBondContact O-N 2.54Å; L318-C322 VanDerWaalsContact O-N 3.14Å; L318-C322 PolarHBondContact O-SG 3.44Å; L318-V350 HydrophobicContact CB-CG1 4.42Å; L318-V350 HydrophobicContact CB-CG2 3.92Å
319L98.4Very high97.2Very high23 Ų2365.7 Ų65.712%0.1232%0.316CS..Hα-helixtrans-64.3-44175.7-17559.5000110.9P315 S316 M321 C322 E323 A347 V350 M354 Y363P315-L319 PolarHBondContact O-N 3.38Å; S316-L319 PolarHBondContact O-N 3.48Å; L319-M321 VanDerWaalsContact C-N 3.33Å; L319-M321 PolarHBondContact O-N 3.3Å; L319-C322 WeakPolarHBondContact O-CA 3.29Å; L319-C322 WeakPolarHBondContact O-CB 3.28Å; L319-C322 PolarHBondContact O-N 2.98Å; L319-E323 HydrophobicContact CD1-CG 4.44Å; L319-E323 HydrophobicContact CG-CG 4.44Å; L319-E323 WeakPolarHBondContact O-CG 3.26Å; L319-E323 PolarHBondContact O-N 3.08Å; L319-A347 HydrophobicContact CD1-CB 3.84Å; L319-V350 HydrophobicContact CB-CG1 3.97Å; L319-M354 HydrophobicContact CD2-CE 3.76Å; L319-Y363 HydrophobicContact CD1-CE2 4.36Å
320E98.3Very high97.3Very high112 Ų11266.1 Ų66.152%0.52332%0.32SS..Hα-helixtrans-58.7-42.8175.6-176.7179.5-165.500111.9S316 E317 C322 E323 L324S316-E320 WeakPolarHBondContact O-CB 3.25Å; S316-E320 PolarHBondContact O-N 3.13Å; E317-E320 PolarHBondContact O-N 2.74Å; E320-C322 VanDerWaalsContact C-N 3.28Å; E320-C322 PolarHBondContact O-N 3.38Å; E320-E323 PolarHBondContact O-N 3.46Å; E320-L324 HydrophobicContact CG-CD1 3.86Å; E320-L324 HydrophobicContact CG-CG 4.25Å; E320-L324 WeakPolarHBondContact O-CB 3.25Å; E320-L324 WeakPolarHBondContact O-CG 3.42Å; E320-L324 PolarHBondContact O-N 3.2Å
321M98.5Very high97.5Very high28 Ų2864.1 Ų64.114%0.13832%0.322CS..Hα-helixtrans-57.8-40.4173.1-73.3175.370.400112.2E305 F306 A309 K313 E317 L318 L319 S325E305-M321 HydrophobicContact CG-CE 3.94Å; F306-M321 HydrophobicContact CB-CE 4.45Å; F306-M321 HydrophobicContact CD2-CB 4.37Å; F306-M321 HydrophobicContact CD2-CE 4.37Å; A309-M321 HydrophobicContact CB-CE 3.81Å; A309-M321 HydrophobicContact CB-SD 3.79Å; K313-M321 HydrophobicContact CD-SD 3.54Å; K313-M321 VanDerWaalsContact CD-SD 3.54Å; E317-M321 VanDerWaalsContact O-CG 3.29Å; E317-M321 WeakPolarHBondContact O-CG 3.49Å; E317-M321 PolarHBondContact O-N 2.98Å; L318-M321 HydrophobicContact CD2-SD 4.36Å; L318-M321 PolarHBondContact O-N 3.41Å; L319-M321 VanDerWaalsContact C-N 3.33Å; L319-M321 PolarHBondContact O-N 3.3Å; M321-S325 WeakPolarHBondContact O-CB 3.36Å; M321-S325 PolarHBondContact O-N 2.87Å; M321-S325 PolarHBondContact O-OG 2.96Å
322C98.7Very high97.8Very high0 Ų057.3 Ų57.30%029%0.291CS..Hα-helixtrans-67.1-46176.5-61.20000111.4F306 L318 L319 E320 S325 L326 M343 A347F306-C322 WeakPolarHBondContact CE2-SG 3.09Å; L318-C322 PolarHBondContact O-N 2.54Å; L318-C322 VanDerWaalsContact O-N 3.14Å; L318-C322 PolarHBondContact O-SG 3.44Å; L319-C322 WeakPolarHBondContact O-CA 3.29Å; L319-C322 WeakPolarHBondContact O-CB 3.28Å; L319-C322 PolarHBondContact O-N 2.98Å; E320-C322 VanDerWaalsContact C-N 3.28Å; E320-C322 PolarHBondContact O-N 3.38Å; C322-S325 PolarHBondContact O-N 2.91Å; C322-S325 PolarHBondContact O-OG 2.96Å; C322-L326 WeakPolarHBondContact O-CB 3.18Å; C322-L326 WeakPolarHBondContact O-CG 3.4Å; C322-L326 PolarHBondContact O-N 3.05Å; C322-M343 HydrophobicContact CB-CE 4.08Å; C322-A347 HydrophobicContact CB-CB 3.77Å
323E98.4Very high98.1Very high95 Ų9549.9 Ų49.944%0.44426%0.262SS..Hα-helixtrans-65-46.5-177.5-70.3175.216500112.1L319 E320 S325 L326 E327L319-E323 HydrophobicContact CD1-CG 4.44Å; L319-E323 HydrophobicContact CG-CG 4.44Å; L319-E323 WeakPolarHBondContact O-CG 3.26Å; L319-E323 PolarHBondContact O-N 3.08Å; E320-E323 PolarHBondContact O-N 3.46Å; E323-S325 VanDerWaalsContact C-N 3.32Å; E323-S325 PolarHBondContact O-N 3.41Å; E323-L326 PolarHBondContact O-N 3.22Å; E323-E327 WeakPolarHBondContact O-CB 3.23Å; E323-E327 PolarHBondContact O-N 3.46Å
324L98.6Very high98.2Very high93 Ų9347.9 Ų47.949%0.48726%0.257SS..Hα-helixtrans-63.2-38.5177.6-69.8174.7000112.2E320 K328E320-L324 HydrophobicContact CG-CD1 3.86Å; E320-L324 HydrophobicContact CG-CG 4.25Å; E320-L324 WeakPolarHBondContact O-CB 3.25Å; E320-L324 WeakPolarHBondContact O-CG 3.42Å; E320-L324 PolarHBondContact O-N 3.2Å; L324-K328 WeakPolarHBondContact O-CB 3.45Å; L324-K328 PolarHBondContact O-N 3.33Å
325S98.6Very high98.2Very high1 Ų149.1 Ų49.11%0.00726%0.264CS..Hα-helixtrans-72.5-38.8177.659.70000112.5Y298 M321 C322 E323 K328 M329 M343Y298-S325 WeakPolarHBondContact OH-CA 3.47Å; M321-S325 WeakPolarHBondContact O-CB 3.36Å; M321-S325 PolarHBondContact O-N 2.87Å; M321-S325 PolarHBondContact O-OG 2.96Å; C322-S325 PolarHBondContact O-N 2.91Å; C322-S325 PolarHBondContact O-OG 2.96Å; E323-S325 VanDerWaalsContact C-N 3.32Å; E323-S325 PolarHBondContact O-N 3.41Å; S325-K328 PolarHBondContact O-N 2.89Å; S325-M329 VanDerWaalsContact O-CB 3.27Å; S325-M329 WeakPolarHBondContact O-CB 3.39Å; S325-M329 WeakPolarHBondContact O-CE 3.41Å; S325-M329 VanDerWaalsContact O-CG 3.29Å; S325-M329 WeakPolarHBondContact O-CG 3.23Å; S325-M329 PolarHBondContact O-N 2.99Å; S325-M343 WeakPolarHBondContact OG-CE 3.41Å
326L98.8Very high98.3Very high20 Ų2050.1 Ų50.111%0.10527%0.269CS..Hα-helixtrans-61.7-43.4172.4-74.2168.8000111.4C322 E323 G330 M340 M343 M344 Y363C322-L326 WeakPolarHBondContact O-CB 3.18Å; C322-L326 WeakPolarHBondContact O-CG 3.4Å; C322-L326 PolarHBondContact O-N 3.05Å; E323-L326 PolarHBondContact O-N 3.22Å; L326-G330 WeakPolarHBondContact O-CA 3.38Å; L326-G330 PolarHBondContact O-N 3.02Å; L326-M340 HydrophobicContact CB-CE 4.4Å; L326-M340 HydrophobicContact CD2-CB 4.4Å; L326-M340 HydrophobicContact CD2-CE 3.77Å; L326-M340 WeakPolarHBondContact CD2-O 3.28Å; L326-M340 HydrophobicContact CD2-SD 4.01Å; L326-M340 WeakPolarHBondContact O-CE 3.41Å; L326-M343 HydrophobicContact CD2-CB 3.8Å; L326-M343 HydrophobicContact CG-CB 3.88Å; L326-M344 HydrophobicContact CD1-CG 4.12Å; L326-M344 HydrophobicContact CD2-CE 4.2Å; L326-M344 HydrophobicContact CD2-CG 3.77Å; L326-Y363 HydrophobicContact CD1-CE1 3.9Å
327E98.5Very high98.3Very high147 Ų14746.3 Ų46.369%0.68724%0.242SC*.Hα-helixtrans-60.3-50.3176-176.2-179.7-178.100111.1E323 G330E323-E327 WeakPolarHBondContact O-CB 3.23Å; E323-E327 PolarHBondContact O-N 3.46Å; E327-G330 PolarHBondContact O-N 2.86Å
328K98.6Very high98.4Very high107 Ų10743.3 Ų43.347%0.46523%0.228SC..Hα-helixtrans-64.8-46.2-178.8179.4165.7168.4-169.50112.5M295 Y298 L324 S325 G330 A331M295-K328 HydrophobicContact CE-CG 4.25Å; M295-K328 VanDerWaalsContact CE-O 3.29Å; M295-K328 WeakPolarHBondContact CE-O 3.44Å; M295-K328 HydrophobicContact SD-CG 4.45Å; Y298-K328 HydrophobicContact CD1-CD 4.3Å; Y298-K328 HydrophobicContact CD1-CG 4.4Å; Y298-K328 HydrophobicContact CD2-CD 4.42Å; Y298-K328 VanDerWaalsContact CD2-NZ 3.31Å; Y298-K328 HydrophobicContact CE1-CB 4.14Å; Y298-K328 HydrophobicContact CE1-CD 3.73Å; Y298-K328 HydrophobicContact CE1-CG 3.87Å; Y298-K328 HydrophobicContact CE2-CD 3.9Å; Y298-K328 VanDerWaalsContact CE2-NZ 3.25Å; L324-K328 WeakPolarHBondContact O-CB 3.45Å; L324-K328 PolarHBondContact O-N 3.33Å; S325-K328 PolarHBondContact O-N 2.89Å; K328-G330 VanDerWaalsContact C-N 3.33Å; K328-A331 WeakPolarHBondContact O-CB 3.36Å; K328-A331 PolarHBondContact O-N 3.17Å
329M98.6Very high98.4Very high2 Ų242.8 Ų42.81%0.0123%0.225CC..Hα-helixtrans-66.8-36.3177.7-72.6-171.1-64.900111.8M295 Y298 A299 S325 A331 I332 F333 M340 M343M295-M329 HydrophobicContact CG-CG 4.42Å; M295-M329 HydrophobicContact SD-CB 4.38Å; M295-M329 HydrophobicContact SD-CG 3.92Å; Y298-M329 HydrophobicContact CD1-CG 3.97Å; Y298-M329 HydrophobicContact CE1-CG 3.86Å; A299-M329 HydrophobicContact CB-SD 3.6Å; S325-M329 VanDerWaalsContact O-CB 3.27Å; S325-M329 WeakPolarHBondContact O-CB 3.39Å; S325-M329 WeakPolarHBondContact O-CE 3.41Å; S325-M329 VanDerWaalsContact O-CG 3.29Å; S325-M329 WeakPolarHBondContact O-CG 3.23Å; S325-M329 PolarHBondContact O-N 2.99Å; M329-A331 PolarHBondContact O-N 3.25Å; M329-A331 VanDerWaalsContact O-N 3.07Å; M329-I332 PolarHBondContact O-N 3.16Å; M329-F333 HydrophobicContact CB-CD2 3.97Å; M329-F333 HydrophobicContact CG-CD2 4.24Å; M329-F333 HydrophobicContact CG-CE2 4.46Å; M329-F333 PolarHBondContact O-N 3.41Å; M329-F333 HydrophobicContact SD-CD2 4.26Å; M329-F333 HydrophobicContact SD-CE2 4.37Å; M329-M340 HydrophobicContact CB-SD 3.4Å; M329-M340 WeakPolarHBondContact CB-SD 3.34Å; M329-M340 HydrophobicContact CE-SD 4.13Å; M329-M343 HydrophobicContact CE-CB 4.12Å; M329-M343 HydrophobicContact CE-CG 3.49Å; M329-M343 VanDerWaalsContact CE-CG 3.49Å
330G97.9Very high98.4Very high9 Ų941.9 Ų41.99%0.09322%0.221CC..THydrogen-bonded Turntrans-63.8-10.4178.400000114.7R281 L326 E327 K328 I332R281-G330 WeakPolarHBondContact CD-O 3.35Å; R281-G330 PolarHBondContact NH1-O 2.85Å; L326-G330 WeakPolarHBondContact O-CA 3.38Å; L326-G330 PolarHBondContact O-N 3.02Å; E327-G330 PolarHBondContact O-N 2.86Å; K328-G330 VanDerWaalsContact C-N 3.33Å; G330-I332 VanDerWaalsContact C-N 3.27Å
331A97.1Very high98.4Very high56 Ų5636.6 Ų36.646%0.46320%0.196SC..THydrogen-bonded Turntrans-66.2-29.1167.600000112.5K328 M329K328-A331 WeakPolarHBondContact O-CB 3.36Å; K328-A331 PolarHBondContact O-N 3.17Å; M329-A331 PolarHBondContact O-N 3.25Å; M329-A331 VanDerWaalsContact O-N 3.07Å
332I98Very high98.4Very high19 Ų1936 Ų3610%0.09719%0.193CC..THydrogen-bonded Turntrans-120.7-46.9-176.4-65-177.2000111.6I280 R281 P287 E291 I292 M295 M329 G330I280-I332 HydrophobicContact CD1-CG2 4.23Å; I280-I332 HydrophobicContact CG2-CG2 4.37Å; I280-I332 VanDerWaalsContact CG2-O 3.3Å; I280-I332 WeakPolarHBondContact CG2-O 3.24Å; R281-I332 WeakPolarHBondContact CB-O 3.18Å; R281-I332 PolarHBondContact N-O 3.32Å; P287-I332 HydrophobicContact CB-CG2 4.4Å; P287-I332 HydrophobicContact CG-CG2 4.21Å; E291-I332 HydrophobicContact CB-CD1 4.05Å; I292-I332 HydrophobicContact CG1-CG2 4.25Å; M295-I332 HydrophobicContact CB-CD1 4.02Å; M295-I332 HydrophobicContact CE-CB 4.45Å; M295-I332 HydrophobicContact CE-CD1 3.78Å; M295-I332 HydrophobicContact CE-CG1 4.11Å; M295-I332 HydrophobicContact CG-CB 4.36Å; M295-I332 HydrophobicContact CG-CD1 4.4Å; M329-I332 PolarHBondContact O-N 3.16Å; G330-I332 VanDerWaalsContact C-N 3.27Å
333F98.5Very high98.5Very high1 Ų136 Ų360%0.00419%0.193CC..BIsolated β-bridgetrans-83.6144.1-175-63.5-24.9000112I280 M295 V296 A299 M329 N337 Y339 M340I280-F333 HydrophobicContact CD1-CD1 3.65Å; I280-F333 HydrophobicContact CD1-CE1 3.87Å; M295-F333 HydrophobicContact CB-CE1 4.25Å; M295-F333 HydrophobicContact CB-CE2 4.24Å; M295-F333 HydrophobicContact CB-CZ 3.77Å; M295-F333 HydrophobicContact CG-CD2 4.05Å; M295-F333 HydrophobicContact CG-CE1 4.11Å; M295-F333 HydrophobicContact CG-CE2 3.51Å; M295-F333 HydrophobicContact CG-CZ 3.53Å; V296-F333 HydrophobicContact CG2-CE1 4.45Å; V296-F333 HydrophobicContact CG2-CZ 3.86Å; A299-F333 HydrophobicContact CB-CE2 4.35Å; M329-F333 HydrophobicContact CB-CD2 3.97Å; M329-F333 HydrophobicContact CG-CD2 4.24Å; M329-F333 HydrophobicContact CG-CE2 4.46Å; M329-F333 PolarHBondContact O-N 3.41Å; M329-F333 HydrophobicContact SD-CD2 4.26Å; M329-F333 HydrophobicContact SD-CE2 4.37Å; F333-N337 HydrophobicContact CB-CB 3.73Å; F333-N337 WeakPolarHBondContact CD1-ND2 3.48Å; F333-N337 HydrophobicContact CG-CB 4.24Å; F333-N337 WeakPolarHBondContact CG-ND2 3.29Å; F333-Y339 HydrophobicContact CD2-CD2 4.33Å; F333-Y339 AromaticContact CE2-CD2 3.69Å; F333-Y339 HydrophobicContact CE2-CD2 3.69Å; F333-Y339 HydrophobicContact CE2-CG 4.37Å; F333-Y339 HydrophobicContact CZ-CD2 4.1Å; F333-M340 HydrophobicContact CB-CG 3.85Å; F333-M340 HydrophobicContact CB-SD 4.43Å
334A98.3Very high98.5Very high20 Ų2031.9 Ų31.917%0.16517%0.173CC..  trans-73.715816800000110.3E279 T336 N337 M340E279-A334 HydrophobicContact CB-CB 4.09Å; E279-A334 HydrophobicContact CG-CB 3.66Å; E279-A334 PolarHBondContact O-N 3.35Å; E279-A334 VanDerWaalsContact O-N 3.08Å; A334-T336 PolarHBondContact O-N 3.05Å; A334-N337 WeakPolarHBondContact O-CB 3.44Å; A334-N337 PolarHBondContact O-N 3.44Å; A334-M340 WeakPolarHBondContact O-CG 3.34Å
335D98.1Very high98.5Very high104 Ų10430.7 Ų30.756%0.55616%0.163SC*.THydrogen-bonded Turntrans-58.8-23.6178.5-65.7-16.8000113.2N337 M344D335-N337 VanDerWaalsContact C-N 3.29Å; D335-M344 HydrophobicContact CB-CE 4.26Å
336T98.3Very high98.5Very high57 Ų5731.8 Ų31.835%0.3517%0.168SC..THydrogen-bonded Turntrans-83.3-3.1177.462.90000113.8A334 P370 H374A334-T336 PolarHBondContact O-N 3.05Å; T336-P370 HydrophobicContact CG2-CB 4.43Å; T336-P370 HydrophobicContact CG2-CG 3.83Å; T336-H374 PolarHBondContact O-NE2 3.45Å
337N98.8Very high98.5Very high0 Ų030.8 Ų30.80%016%0.163CC..SBendtrans-68.1137.9177.4-175.2-69.7000110.4K277 E279 F333 A334 D335 Y339 M340 L341K277-N337 WeakPolarHBondContact O-CA 3.49Å; E279-N337 PolarHBondContact O-ND2 3.39Å; E279-N337 VanDerWaalsContact O-ND2 3.15Å; F333-N337 HydrophobicContact CB-CB 3.73Å; F333-N337 WeakPolarHBondContact CD1-ND2 3.48Å; F333-N337 HydrophobicContact CG-CB 4.24Å; F333-N337 WeakPolarHBondContact CG-ND2 3.29Å; A334-N337 WeakPolarHBondContact O-CB 3.44Å; A334-N337 PolarHBondContact O-N 3.44Å; D335-N337 VanDerWaalsContact C-N 3.29Å; N337-Y339 VanDerWaalsContact C-N 3.26Å; N337-Y339 PolarHBondContact O-N 3.47Å; N337-Y339 VanDerWaalsContact OD1-CD2 3.32Å; N337-Y339 WeakPolarHBondContact OD1-CD2 3.27Å; N337-Y339 PolarHBondContact OD1-N 3.4Å; N337-M340 HydrophobicContact CB-CB 4.39Å; N337-M340 HydrophobicContact CB-CG 4.07Å; N337-M340 WeakPolarHBondContact O-CA 3.48Å; N337-M340 WeakPolarHBondContact O-CB 3.47Å; N337-M340 PolarHBondContact O-N 3.12Å; N337-L341 WeakPolarHBondContact O-CG 3.48Å; N337-L341 PolarHBondContact O-N 3.3Å
338V98.8Very high98.5Very high0 Ų023.9 Ų23.90%013%0.131CC..Hα-helixtrans-61.7-29.3-173.7-64.20000114.3L245 P247 K277 M278 L341 H342L245-V338 HydrophobicContact CD1-CB 4.47Å; L245-V338 HydrophobicContact CD1-CG1 3.85Å; L245-V338 HydrophobicContact CG-CB 4.16Å; L245-V338 HydrophobicContact CG-CG1 3.98Å; L245-V338 WeakPolarHBondContact O-CG1 3.11Å; P247-V338 HydrophobicContact CG-CG2 4.02Å; K277-V338 HydrophobicContact CB-CG1 3.6Å; K277-V338 HydrophobicContact CB-CG2 4.34Å; K277-V338 HydrophobicContact CD-CG1 4.45Å; K277-V338 HydrophobicContact CG-CG1 3.73Å; K277-V338 WeakPolarHBondContact O-CG2 3.35Å; K277-V338 PolarHBondContact O-N 2.98Å; M278-V338 HydrophobicContact SD-CG2 4.48Å; V338-L341 PolarHBondContact O-N 3.4Å; V338-H342 WeakPolarHBondContact O-CB 3.5Å; V338-H342 PolarHBondContact O-N 3.36Å
339Y98.8Very high98.4Very high4 Ų420.6 Ų20.62%0.01613%0.127CC..Hα-helixtrans-74-35.2175.1-57.5-60000112.2D250 M278 V296 A299 I303 F333 N337 H342 M343D250-Y339 WeakPolarHBondContact OD2-CE1 3.46Å; D250-Y339 PolarHBondContact OD2-OH 2.98Å; M278-Y339 HydrophobicContact CE-CD2 4.43Å; M278-Y339 HydrophobicContact CE-CE2 3.62Å; M278-Y339 HydrophobicContact SD-CD2 4.29Å; M278-Y339 HydrophobicContact SD-CE2 3.54Å; M278-Y339 VanDerWaalsContact SD-CE2 3.54Å; V296-Y339 HydrophobicContact CG1-CE2 4.16Å; V296-Y339 HydrophobicContact CG2-CE2 4.12Å; A299-Y339 HydrophobicContact CB-CD1 3.85Å; A299-Y339 HydrophobicContact CB-CD2 4.05Å; A299-Y339 HydrophobicContact CB-CG 3.61Å; I303-Y339 HydrophobicContact CD1-CD1 3.91Å; F333-Y339 HydrophobicContact CD2-CD2 4.33Å; F333-Y339 AromaticContact CE2-CD2 3.69Å; F333-Y339 HydrophobicContact CE2-CD2 3.69Å; F333-Y339 HydrophobicContact CE2-CG 4.37Å; F333-Y339 HydrophobicContact CZ-CD2 4.1Å; N337-Y339 VanDerWaalsContact C-N 3.26Å; N337-Y339 PolarHBondContact O-N 3.47Å; N337-Y339 VanDerWaalsContact OD1-CD2 3.32Å; N337-Y339 WeakPolarHBondContact OD1-CD2 3.27Å; N337-Y339 PolarHBondContact OD1-N 3.4Å; Y339-H342 PolarHBondContact O-N 2.99Å; Y339-M343 PolarHBondContact O-N 3.26Å
340M98.8Very high98.4Very high5 Ų521 Ų213%0.02513%0.129CC..Hα-helixtrans-63.3-48.4170.4-65.1-67-71.800109.9L326 M329 F333 A334 N337 H342 M343 M344L326-M340 HydrophobicContact CB-CE 4.4Å; L326-M340 HydrophobicContact CD2-CB 4.4Å; L326-M340 HydrophobicContact CD2-CE 3.77Å; L326-M340 WeakPolarHBondContact CD2-O 3.28Å; L326-M340 HydrophobicContact CD2-SD 4.01Å; L326-M340 WeakPolarHBondContact O-CE 3.41Å; M329-M340 HydrophobicContact CB-SD 3.4Å; M329-M340 WeakPolarHBondContact CB-SD 3.34Å; M329-M340 HydrophobicContact CE-SD 4.13Å; F333-M340 HydrophobicContact CB-CG 3.85Å; F333-M340 HydrophobicContact CB-SD 4.43Å; A334-M340 WeakPolarHBondContact O-CG 3.34Å; N337-M340 HydrophobicContact CB-CB 4.39Å; N337-M340 HydrophobicContact CB-CG 4.07Å; N337-M340 WeakPolarHBondContact O-CA 3.48Å; N337-M340 WeakPolarHBondContact O-CB 3.47Å; N337-M340 PolarHBondContact O-N 3.12Å; M340-H342 VanDerWaalsContact C-N 3.29Å; M340-H342 PolarHBondContact O-N 3.48Å; M340-M343 PolarHBondContact O-N 3.25Å; M340-M344 HydrophobicContact CB-CE 4.39Å; M340-M344 HydrophobicContact CE-CE 4.3Å; M340-M344 VanDerWaalsContact O-CG 3.29Å; M340-M344 WeakPolarHBondContact O-CG 3.41Å; M340-M344 PolarHBondContact O-N 3.01Å
341L98.8Very high98.4Very high0 Ų020.6 Ų20.60%013%0.125CC..Hα-helixtrans-60.6-37.9178.5-62.4172.6000112.3L245 N337 V338 M344 Y345 P370 Y371L245-L341 HydrophobicContact CD1-CD1 4.39Å; N337-L341 WeakPolarHBondContact O-CG 3.48Å; N337-L341 PolarHBondContact O-N 3.3Å; V338-L341 PolarHBondContact O-N 3.4Å; L341-M344 PolarHBondContact O-N 3.29Å; L341-Y345 WeakPolarHBondContact O-CB 3.39Å; L341-Y345 PolarHBondContact O-N 3Å; L341-P370 HydrophobicContact CD1-CB 3.57Å; L341-P370 HydrophobicContact CD2-CB 3.77Å; L341-P370 HydrophobicContact CD2-CG 3.97Å; L341-P370 HydrophobicContact CG-CB 4.29Å; L341-Y371 HydrophobicContact CB-CE1 4.07Å; L341-Y371 HydrophobicContact CD1-CD1 4.22Å; L341-Y371 HydrophobicContact CD1-CE1 4.35Å
342H98.8Very high98.4Very high15 Ų1520.2 Ų20.27%0.06912%0.115CC..Hα-helixtrans-58.2-54.2174.4-175.9106.1000110.8Y246 I303 V338 Y339 M340 M344 Y345 Q346Y246-H342 AromaticContact CE1-ND1 3.95Å; Y246-H342 AromaticContact CZ-ND1 3.79Å; Y246-H342 PolarHBondContact OH-CE1 3.49Å; Y246-H342 PolarHBondContact OH-ND1 3Å; I303-H342 HydrophobicContact CD1-CB 4.23Å; V338-H342 WeakPolarHBondContact O-CB 3.5Å; V338-H342 PolarHBondContact O-N 3.36Å; Y339-H342 PolarHBondContact O-N 2.99Å; M340-H342 VanDerWaalsContact C-N 3.29Å; M340-H342 PolarHBondContact O-N 3.48Å; H342-M344 VanDerWaalsContact C-N 3.32Å; H342-M344 PolarHBondContact O-N 3.2Å; H342-Y345 WeakPolarHBondContact O-CB 3.28Å; H342-Y345 PolarHBondContact O-N 3.2Å; H342-Y345 VanDerWaalsContact O-N 3.12Å; H342-Q346 PolarHBondContact NE2-NE2 3.03Å; H342-Q346 VanDerWaalsContact NE2-NE2 3.12Å; H342-Q346 WeakPolarHBondContact O-CG 3.31Å; H342-Q346 PolarHBondContact O-N 2.84Å
343M98.8Very high98.3Very high1 Ų127.9 Ų27.91%0.00514%0.144CC..Hα-helixtrans-67.3-33-178-64.6-49.1-59.800112.3V302 I303 F306 C322 S325 L326 M329 Y339 M340 Q346 A347V302-M343 HydrophobicContact CG1-CE 3.93Å; V302-M343 HydrophobicContact CG1-SD 3.97Å; I303-M343 HydrophobicContact CG1-SD 4.36Å; F306-M343 HydrophobicContact CD2-CE 4.22Å; F306-M343 HydrophobicContact CG-CE 4.33Å; C322-M343 HydrophobicContact CB-CE 4.08Å; S325-M343 WeakPolarHBondContact OG-CE 3.41Å; L326-M343 HydrophobicContact CD2-CB 3.8Å; L326-M343 HydrophobicContact CG-CB 3.88Å; M329-M343 HydrophobicContact CE-CB 4.12Å; M329-M343 HydrophobicContact CE-CG 3.49Å; M329-M343 VanDerWaalsContact CE-CG 3.49Å; Y339-M343 PolarHBondContact O-N 3.26Å; M340-M343 PolarHBondContact O-N 3.25Å; M343-Q346 PolarHBondContact O-N 3.45Å; M343-A347 WeakPolarHBondContact O-CB 3.36Å; M343-A347 PolarHBondContact O-N 3.01Å
344M98.8Very high98.3Very high8 Ų830.9 Ų30.94%0.03916%0.159CC..Hα-helixtrans-62.7-41.8170.4-68.2179.9-171.300111.9L326 D335 M340 L341 H342 Q346 A347 M348 Y363 K366 I367L326-M344 HydrophobicContact CD1-CG 4.12Å; L326-M344 HydrophobicContact CD2-CE 4.2Å; L326-M344 HydrophobicContact CD2-CG 3.77Å; D335-M344 HydrophobicContact CB-CE 4.26Å; M340-M344 HydrophobicContact CB-CE 4.39Å; M340-M344 HydrophobicContact CE-CE 4.3Å; M340-M344 VanDerWaalsContact O-CG 3.29Å; M340-M344 WeakPolarHBondContact O-CG 3.41Å; M340-M344 PolarHBondContact O-N 3.01Å; L341-M344 PolarHBondContact O-N 3.29Å; H342-M344 VanDerWaalsContact C-N 3.32Å; H342-M344 PolarHBondContact O-N 3.2Å; M344-Q346 VanDerWaalsContact C-N 3.34Å; M344-A347 PolarHBondContact O-N 3.32Å; M344-M348 WeakPolarHBondContact O-CB 3.37Å; M344-M348 PolarHBondContact O-N 2.99Å; M344-Y363 HydrophobicContact CB-CD1 3.91Å; M344-Y363 HydrophobicContact CG-CD1 3.96Å; M344-Y363 HydrophobicContact CG-CE1 4.32Å; M344-K366 HydrophobicContact CE-CD 4.49Å; M344-K366 HydrophobicContact SD-CB 3.91Å; M344-K366 HydrophobicContact SD-CD 4.34Å; M344-I367 HydrophobicContact CB-CD1 3.82Å; M344-I367 HydrophobicContact CB-CG1 3.74Å; M344-I367 HydrophobicContact SD-CG1 4.48Å
345Y98.7Very high98.2Very high69 Ų6936.5 Ų36.527%0.27118%0.182SC..Hα-helixtrans-64.2-40.8176.5-179.3-97.7000111.6L341 H342 M348 G349 M385 K388L341-Y345 WeakPolarHBondContact O-CB 3.39Å; L341-Y345 PolarHBondContact O-N 3Å; H342-Y345 WeakPolarHBondContact O-CB 3.28Å; H342-Y345 PolarHBondContact O-N 3.2Å; H342-Y345 VanDerWaalsContact O-N 3.12Å; Y345-M348 WeakPolarHBondContact O-CB 3.45Å; Y345-M348 PolarHBondContact O-N 2.85Å; Y345-G349 PolarHBondContact O-N 3.14Å; Y345-M385 HydrophobicContact CD2-CE 3.62Å; Y345-M385 HydrophobicContact CE2-CE 3.84Å; Y345-K388 PolarHBondContact OH-NZ 3.34Å
346Q98.5Very high98.2Very high23 Ų2334.5 Ų34.511%0.10717%0.171CC..Hα-helixtrans-63.3-46.9174.2-63.1-42.7-36.500112F306 H342 M343 M344 M348 G349 V350F306-Q346 HydrophobicContact CD1-CB 4.09Å; F306-Q346 HydrophobicContact CD1-CG 3.74Å; F306-Q346 HydrophobicContact CE1-CB 3.43Å; F306-Q346 VanDerWaalsContact CE1-CB 3.43Å; F306-Q346 HydrophobicContact CE1-CG 3.49Å; F306-Q346 VanDerWaalsContact CE1-CG 3.49Å; F306-Q346 HydrophobicContact CE2-CB 4.46Å; F306-Q346 HydrophobicContact CZ-CB 3.68Å; F306-Q346 HydrophobicContact CZ-CG 4.25Å; H342-Q346 PolarHBondContact NE2-NE2 3.03Å; H342-Q346 VanDerWaalsContact NE2-NE2 3.12Å; H342-Q346 WeakPolarHBondContact O-CG 3.31Å; H342-Q346 PolarHBondContact O-N 2.84Å; M343-Q346 PolarHBondContact O-N 3.45Å; M344-Q346 VanDerWaalsContact C-N 3.34Å; Q346-M348 VanDerWaalsContact C-N 3.33Å; Q346-M348 PolarHBondContact O-N 3.49Å; Q346-G349 PolarHBondContact O-N 2.94Å; Q346-G349 VanDerWaalsContact O-N 3.14Å; Q346-V350 WeakPolarHBondContact O-CG2 3.45Å; Q346-V350 PolarHBondContact O-N 3.41Å
347A98.7Very high98.2Very high0 Ų037.2 Ų37.20%018%0.175CC..Hα-helixtrans-59.4-43.4176.200000111.9L319 C322 M343 M344 G349 V350 C351 Y363L319-A347 HydrophobicContact CD1-CB 3.84Å; C322-A347 HydrophobicContact CB-CB 3.77Å; M343-A347 WeakPolarHBondContact O-CB 3.36Å; M343-A347 PolarHBondContact O-N 3.01Å; M344-A347 PolarHBondContact O-N 3.32Å; A347-G349 VanDerWaalsContact C-N 3.32Å; A347-G349 PolarHBondContact O-N 3.17Å; A347-V350 PolarHBondContact O-N 3.44Å; A347-V350 VanDerWaalsContact O-N 3.15Å; A347-C351 PolarHBondContact O-N 3.41Å; A347-C351 PolarHBondContact O-SG 2.83Å; A347-Y363 HydrophobicContact CB-CD1 4.23Å; A347-Y363 HydrophobicContact CB-CD2 3.89Å; A347-Y363 HydrophobicContact CB-CE1 3.91Å; A347-Y363 HydrophobicContact CB-CE2 3.54Å; A347-Y363 HydrophobicContact CB-CG 4.23Å
348M98.5Very high98.1Very high2 Ų241.9 Ų41.91%0.0120%0.2CC..Hα-helixtrans-55.8-46.2173.7-178.7-178.4178.200111.5M344 Y345 Q346 V350 C351 L352 A360 I367 M385 K388 L392M344-M348 WeakPolarHBondContact O-CB 3.37Å; M344-M348 PolarHBondContact O-N 2.99Å; Y345-M348 WeakPolarHBondContact O-CB 3.45Å; Y345-M348 PolarHBondContact O-N 2.85Å; Q346-M348 VanDerWaalsContact C-N 3.33Å; Q346-M348 PolarHBondContact O-N 3.49Å; M348-V350 VanDerWaalsContact C-N 3.33Å; M348-V350 PolarHBondContact O-N 2.62Å; M348-C351 PolarHBondContact O-N 2.85Å; M348-L352 HydrophobicContact CE-CD1 4.42Å; M348-L352 HydrophobicContact CG-CD1 4.39Å; M348-L352 WeakPolarHBondContact O-CG 3.28Å; M348-L352 PolarHBondContact O-N 3.5Å; M348-A360 HydrophobicContact CG-CB 4.3Å; M348-I367 HydrophobicContact SD-CD1 4.27Å; M348-M385 HydrophobicContact CE-SD 4.2Å; M348-M385 HydrophobicContact SD-CE 3.96Å; M348-M385 HydrophobicContact SD-SD 3.97Å; M348-K388 HydrophobicContact CE-CB 3.9Å; M348-K388 HydrophobicContact CE-CD 4.45Å; M348-L392 HydrophobicContact CE-CD1 3.9Å
349G97.6Very high98.1Very high37 Ų3742.5 Ų42.538%0.38121%0.207SC..Hα-helixtrans-61.3-39.3176.800000113.2Y345 Q346 A347 L352 Y353Y345-G349 PolarHBondContact O-N 3.14Å; Q346-G349 PolarHBondContact O-N 2.94Å; Q346-G349 VanDerWaalsContact O-N 3.14Å; A347-G349 VanDerWaalsContact C-N 3.32Å; A347-G349 PolarHBondContact O-N 3.17Å; G349-L352 PolarHBondContact O-N 3.13Å; G349-Y353 PolarHBondContact O-N 3.24Å; G349-Y353 VanDerWaalsContact O-N 3.08Å
350V98.1Very high98.1Very high11 Ų1142.3 Ų42.37%0.06721%0.206CC..Hα-helixtrans-67.2-43.8175.9179.20000111.2F306 P315 L318 L319 Q346 A347 M348 L352 Y353 M354F306-V350 HydrophobicContact CZ-CG2 4.13Å; P315-V350 HydrophobicContact CB-CG1 4.08Å; P315-V350 WeakPolarHBondContact O-CG1 3.23Å; L318-V350 HydrophobicContact CB-CG1 4.42Å; L318-V350 HydrophobicContact CB-CG2 3.92Å; L319-V350 HydrophobicContact CB-CG1 3.97Å; Q346-V350 WeakPolarHBondContact O-CG2 3.45Å; Q346-V350 PolarHBondContact O-N 3.41Å; A347-V350 PolarHBondContact O-N 3.44Å; A347-V350 VanDerWaalsContact O-N 3.15Å; M348-V350 VanDerWaalsContact C-N 3.33Å; M348-V350 PolarHBondContact O-N 2.62Å; V350-L352 PolarHBondContact O-N 2.94Å; V350-Y353 PolarHBondContact O-N 2.84Å; V350-M354 HydrophobicContact CG1-CE 3.98Å; V350-M354 HydrophobicContact CG1-SD 4.26Å; V350-M354 WeakPolarHBondContact O-CG 3.1Å; V350-M354 PolarHBondContact O-N 3.02Å
351C98.5Very high98Very high1 Ų142.7 Ų42.71%0.00721%0.208CC..Hα-helixtrans-59-44.5174-72.50000112A347 M348 Y353 M354 Q355 D356 A360A347-C351 PolarHBondContact O-N 3.41Å; A347-C351 PolarHBondContact O-SG 2.83Å; M348-C351 PolarHBondContact O-N 2.85Å; C351-Y353 VanDerWaalsContact C-N 3.32Å; C351-Y353 PolarHBondContact O-N 3.29Å; C351-M354 CarbonylContact O-C 3.52Å; C351-M354 PolarHBondContact O-N 3.2Å; C351-Q355 PolarHBondContact O-N 3.26Å; C351-D356 HydrophobicContact CB-CB 4.14Å; C351-D356 PolarHBondContact O-N 3.21Å; C351-D356 PolarHBondContact SG-OD2 3.24Å; C351-A360 HydrophobicContact CB-CB 3.83Å
352L97.3Very high98Very high47 Ų4745.1 Ų45.125%0.24623%0.225CC..Hα-helixtrans-57.6-44.6175.4-73.7171.2000111.7M348 G349 V350 M354 Q355 W357 A360 L392M348-L352 HydrophobicContact CE-CD1 4.42Å; M348-L352 HydrophobicContact CG-CD1 4.39Å; M348-L352 WeakPolarHBondContact O-CG 3.28Å; M348-L352 PolarHBondContact O-N 3.5Å; G349-L352 PolarHBondContact O-N 3.13Å; V350-L352 PolarHBondContact O-N 2.94Å; L352-M354 VanDerWaalsContact C-N 3.35Å; L352-M354 PolarHBondContact O-N 3.05Å; L352-Q355 PolarHBondContact O-N 2.85Å; L352-Q355 VanDerWaalsContact O-N 3.15Å; L352-W357 HydrophobicContact CD2-CE3 4.12Å; L352-W357 HydrophobicContact CD2-CZ3 3.93Å; L352-A360 HydrophobicContact CD2-CB 3.77Å; L352-A360 HydrophobicContact CG-CB 3.84Å; L352-L392 HydrophobicContact CD2-CD1 4.29Å; L352-L392 HydrophobicContact CD2-CD2 3.9Å; L352-L392 HydrophobicContact CD2-CG 4.37Å
353Y95.8Very high98Very high180 Ų18045.8 Ų45.871%0.70623%0.227SC*.Hα-helixtrans-63.5-39.9177.6-178.5-94.2000112.5P315 G349 V350 C351 Q355P315-Y353 HydrophobicContact CB-CD1 4.24Å; P315-Y353 HydrophobicContact CG-CD1 3.64Å; P315-Y353 HydrophobicContact CG-CE1 3.55Å; G349-Y353 PolarHBondContact O-N 3.24Å; G349-Y353 VanDerWaalsContact O-N 3.08Å; V350-Y353 PolarHBondContact O-N 2.84Å; C351-Y353 VanDerWaalsContact C-N 3.32Å; C351-Y353 PolarHBondContact O-N 3.29Å; Y353-Q355 PolarHBondContact O-N 2.8Å
354M97.1Very high98Very high65 Ų6545.8 Ų45.832%0.3223%0.227SC..THydrogen-bonded Turntrans-77.1-1.3176.9-64.3-172-53.500113.8P315 L319 V350 C351 L352 D356P315-M354 HydrophobicContact CB-CG 3.55Å; P315-M354 HydrophobicContact CB-SD 3.56Å; P315-M354 VanDerWaalsContact CB-SD 3.56Å; P315-M354 HydrophobicContact CG-CG 4.39Å; L319-M354 HydrophobicContact CD2-CE 3.76Å; V350-M354 HydrophobicContact CG1-CE 3.98Å; V350-M354 HydrophobicContact CG1-SD 4.26Å; V350-M354 WeakPolarHBondContact O-CG 3.1Å; V350-M354 PolarHBondContact O-N 3.02Å; C351-M354 CarbonylContact O-C 3.52Å; C351-M354 PolarHBondContact O-N 3.2Å; L352-M354 VanDerWaalsContact C-N 3.35Å; L352-M354 PolarHBondContact O-N 3.05Å; M354-D356 PolarHBondContact O-N 3.32Å
355Q97.3Very high98Very high137 Ų13749.6 Ų49.664%0.6425%0.245SC*.THydrogen-bonded Turntrans59.326.2-172.2-52.1-179.111.200113.2C351 L352 Y353 W357C351-Q355 PolarHBondContact O-N 3.26Å; L352-Q355 PolarHBondContact O-N 2.85Å; L352-Q355 VanDerWaalsContact O-N 3.15Å; Y353-Q355 PolarHBondContact O-N 2.8Å; Q355-W357 VanDerWaalsContact C-N 3.32Å; Q355-W357 HydrophobicContact CB-CH2 4.12Å; Q355-W357 HydrophobicContact CB-CZ2 3.56Å; Q355-W357 HydrophobicContact CG-CH2 4.02Å; Q355-W357 HydrophobicContact CG-CZ2 3.72Å; Q355-W357 PolarHBondContact O-N 3.32Å; Q355-W357 VanDerWaalsContact O-N 3.13Å; Q355-W357 PolarHBondContact O-NE1 3.46Å
356D97.9Very high97.9Very high63 Ų6351.5 Ų51.534%0.33725%0.254SS..  trans-82.779168.9174.919.5000109.2C351 M354 D358 G359 A360C351-D356 HydrophobicContact CB-CB 4.14Å; C351-D356 PolarHBondContact O-N 3.21Å; C351-D356 PolarHBondContact SG-OD2 3.24Å; M354-D356 PolarHBondContact O-N 3.32Å; D356-D358 VanDerWaalsContact C-N 3.32Å; D356-D358 PolarHBondContact O-N 2.91Å; D356-G359 PolarHBondContact O-N 3.33Å; D356-G359 PolarHBondContact OD1-N 3.5Å; D356-G359 WeakPolarHBondContact OD2-CA 3.48Å; D356-A360 WeakPolarHBondContact O-CB 3.42Å; D356-A360 PolarHBondContact O-N 3.06Å
357W97.9Very high97.9Very high114 Ų11450.4 Ų50.443%0.43225%0.249SC..Hα-helixtrans-64.7-35.4-175.2-49.8123000112.8L352 Q355 M361 L392 L396L352-W357 HydrophobicContact CD2-CE3 4.12Å; L352-W357 HydrophobicContact CD2-CZ3 3.93Å; Q355-W357 VanDerWaalsContact C-N 3.32Å; Q355-W357 HydrophobicContact CB-CH2 4.12Å; Q355-W357 HydrophobicContact CB-CZ2 3.56Å; Q355-W357 HydrophobicContact CG-CH2 4.02Å; Q355-W357 HydrophobicContact CG-CZ2 3.72Å; Q355-W357 PolarHBondContact O-N 3.32Å; Q355-W357 VanDerWaalsContact O-N 3.13Å; Q355-W357 PolarHBondContact O-NE1 3.46Å; W357-M361 VanDerWaalsContact O-CB 3.29Å; W357-M361 WeakPolarHBondContact O-CB 3.23Å; W357-M361 PolarHBondContact O-N 3.12Å; W357-L392 HydrophobicContact CB-CD2 4.22Å; W357-L392 HydrophobicContact CE3-CD2 3.81Å; W357-L396 HydrophobicContact CB-CD1 4.32Å; W357-L396 HydrophobicContact CB-CD2 4.01Å; W357-L396 HydrophobicContact CB-CG 4.32Å
358D97.4Very high97.9Very high97 Ų9751.3 Ų51.352%0.51925%0.254SS..Hα-helixtrans-69.1-43.4177.8-77.2-67.5000111.5D356 M361 S362D356-D358 VanDerWaalsContact C-N 3.32Å; D356-D358 PolarHBondContact O-N 2.91Å; D358-M361 PolarHBondContact O-N 2.88Å; D358-S362 WeakPolarHBondContact O-CB 3.44Å; D358-S362 PolarHBondContact O-N 2.91Å
359G97.8Very high97.8Very high14 Ų1456.7 Ų56.714%0.14428%0.28CS..Hα-helixtrans-61.3-46.6173.300000112.2D356 M361 S362 Y363D356-G359 PolarHBondContact O-N 3.33Å; D356-G359 PolarHBondContact OD1-N 3.5Å; D356-G359 WeakPolarHBondContact OD2-CA 3.48Å; G359-M361 PolarHBondContact O-N 3.38Å; G359-S362 WeakPolarHBondContact O-CB 3.15Å; G359-S362 PolarHBondContact O-N 3.38Å; G359-Y363 VanDerWaalsContact O-CD2 3.29Å; G359-Y363 WeakPolarHBondContact O-CD2 3.36Å; G359-Y363 PolarHBondContact O-N 3.31Å; G359-Y363 VanDerWaalsContact O-N 3.08Å
360A98.5Very high97.9Very high0 Ų055.7 Ų55.70%027%0.266CS..Hα-helixtrans-59.8-44.5177.400000112.1M348 C351 L352 D356 G364 L392M348-A360 HydrophobicContact CG-CB 4.3Å; C351-A360 HydrophobicContact CB-CB 3.83Å; L352-A360 HydrophobicContact CD2-CB 3.77Å; L352-A360 HydrophobicContact CG-CB 3.84Å; D356-A360 WeakPolarHBondContact O-CB 3.42Å; D356-A360 PolarHBondContact O-N 3.06Å; A360-G364 PolarHBondContact O-N 3.18Å; A360-L392 HydrophobicContact CB-CD1 3.98Å; A360-L392 HydrophobicContact CB-CD2 4.24Å
361M98.3Very high97.9Very high12 Ų1255.7 Ų55.76%0.05927%0.265CS..Hα-helixtrans-62.8-44.3175.9175.7-170.260.600111.6W357 D358 G359 Y363 G364 E365 L392 Y393 L396 K398W357-M361 VanDerWaalsContact O-CB 3.29Å; W357-M361 WeakPolarHBondContact O-CB 3.23Å; W357-M361 PolarHBondContact O-N 3.12Å; D358-M361 PolarHBondContact O-N 2.88Å; G359-M361 PolarHBondContact O-N 3.38Å; M361-Y363 VanDerWaalsContact C-N 3.35Å; M361-Y363 PolarHBondContact O-N 2.92Å; M361-G364 PolarHBondContact O-N 3.09Å; M361-E365 HydrophobicContact CG-CG 4.41Å; M361-E365 WeakPolarHBondContact O-CG 3.42Å; M361-E365 PolarHBondContact O-N 3.49Å; M361-L392 HydrophobicContact CB-CD1 4.46Å; M361-Y393 HydrophobicContact CG-CD1 4.32Å; M361-Y393 HydrophobicContact CG-CE1 3.91Å; M361-Y393 HydrophobicContact SD-CD1 3.9Å; M361-Y393 HydrophobicContact SD-CE1 3.75Å; M361-L396 HydrophobicContact CB-CD1 4.19Å; M361-L396 HydrophobicContact CE-CD1 3.92Å; M361-L396 HydrophobicContact CG-CD1 4.47Å; M361-L396 HydrophobicContact SD-CD1 3.58Å; M361-L396 VanDerWaalsContact SD-CD1 3.58Å; M361-K398 HydrophobicContact SD-CD 3.98Å; M361-K398 PolarHBondContact SD-NZ 3.38Å
362S98.1Very high97.7Very high52 Ų5257.8 Ų57.836%0.36428%0.28SS..Hα-helixtrans-58.7-42.9179.31800000112.5D358 G359 K366D358-S362 WeakPolarHBondContact O-CB 3.44Å; D358-S362 PolarHBondContact O-N 2.91Å; G359-S362 WeakPolarHBondContact O-CB 3.15Å; G359-S362 PolarHBondContact O-N 3.38Å; S362-K366 WeakPolarHBondContact O-CG 3.43Å
363Y98.6Very high97.7Very high29 Ų2959.8 Ų59.811%0.11429%0.294CS..Hα-helixtrans-68.8-46.3173.2-75.9-65.9000111.9L319 L326 M344 A347 G359 M361 E365 K366 I367L319-Y363 HydrophobicContact CD1-CE2 4.36Å; L326-Y363 HydrophobicContact CD1-CE1 3.9Å; M344-Y363 HydrophobicContact CB-CD1 3.91Å; M344-Y363 HydrophobicContact CG-CD1 3.96Å; M344-Y363 HydrophobicContact CG-CE1 4.32Å; A347-Y363 HydrophobicContact CB-CD1 4.23Å; A347-Y363 HydrophobicContact CB-CD2 3.89Å; A347-Y363 HydrophobicContact CB-CE1 3.91Å; A347-Y363 HydrophobicContact CB-CE2 3.54Å; A347-Y363 HydrophobicContact CB-CG 4.23Å; G359-Y363 VanDerWaalsContact O-CD2 3.29Å; G359-Y363 WeakPolarHBondContact O-CD2 3.36Å; G359-Y363 PolarHBondContact O-N 3.31Å; G359-Y363 VanDerWaalsContact O-N 3.08Å; M361-Y363 VanDerWaalsContact C-N 3.35Å; M361-Y363 PolarHBondContact O-N 2.92Å; Y363-E365 VanDerWaalsContact C-N 3.29Å; Y363-E365 PolarHBondContact O-N 3.18Å; Y363-K366 WeakPolarHBondContact O-CB 3.39Å; Y363-K366 PolarHBondContact O-N 2.94Å; Y363-I367 WeakPolarHBondContact O-CD1 3.28Å; Y363-I367 VanDerWaalsContact O-CG1 3.26Å; Y363-I367 WeakPolarHBondContact O-CG1 3.38Å; Y363-I367 PolarHBondContact O-N 3.47Å; Y363-I367 VanDerWaalsContact O-N 3.12Å
364G98.3Very high97.8Very high0 Ų051.5 Ų51.50%026%0.262CS..Hα-helixtrans-55.5-42.2179.300000113.1A360 M361 K366 I367 V368A360-G364 PolarHBondContact O-N 3.18Å; M361-G364 PolarHBondContact O-N 3.09Å; G364-K366 VanDerWaalsContact C-N 3.27Å; G364-K366 PolarHBondContact O-N 3.18Å; G364-I367 PolarHBondContact O-N 2.76Å; G364-I367 VanDerWaalsContact O-N 3.13Å; G364-V368 PolarHBondContact O-N 2.96Å
365E98.3Very high97.9Very high89 Ų8948.8 Ų48.842%0.41625%0.248SC..Hα-helixtrans-61.4-33.4178-76.8-176.8159.800113M361 Y363 L389 Y393M361-E365 HydrophobicContact CG-CG 4.41Å; M361-E365 WeakPolarHBondContact O-CG 3.42Å; M361-E365 PolarHBondContact O-N 3.49Å; Y363-E365 VanDerWaalsContact C-N 3.29Å; Y363-E365 PolarHBondContact O-N 3.18Å; E365-L389 HydrophobicContact CG-CD2 4.43Å; E365-Y393 VanDerWaalsContact CD-OH 3.31Å; E365-Y393 WeakPolarHBondContact CG-OH 3.25Å; E365-Y393 VanDerWaalsContact OE1-CE1 3.25Å; E365-Y393 WeakPolarHBondContact OE1-CE1 3.41Å; E365-Y393 PolarHBondContact OE1-OH 3.46Å
366K98.3Very high97.9Very high109 Ų10944 Ų4447%0.47423%0.229SC..Hα-helixtrans-75.6-32.3175.5-64.4173.2-174.2175.60112.3M344 S362 Y363 G364 P370M344-K366 HydrophobicContact CE-CD 4.49Å; M344-K366 HydrophobicContact SD-CB 3.91Å; M344-K366 HydrophobicContact SD-CD 4.34Å; S362-K366 WeakPolarHBondContact O-CG 3.43Å; Y363-K366 WeakPolarHBondContact O-CB 3.39Å; Y363-K366 PolarHBondContact O-N 2.94Å; G364-K366 VanDerWaalsContact C-N 3.27Å; G364-K366 PolarHBondContact O-N 3.18Å; K366-P370 VanDerWaalsContact O-CD 3.25Å; K366-P370 WeakPolarHBondContact O-CD 3.41Å
367I98.6Very high97.8Very high0 Ų046.8 Ų46.80%025%0.248CC..Hα-helixtrans-80.6-41.4-173.8-64.4160.6000112.6M344 M348 Y363 G364 Q369 P370 Y371 M385M344-I367 HydrophobicContact CB-CD1 3.82Å; M344-I367 HydrophobicContact CB-CG1 3.74Å; M344-I367 HydrophobicContact SD-CG1 4.48Å; M348-I367 HydrophobicContact SD-CD1 4.27Å; Y363-I367 WeakPolarHBondContact O-CD1 3.28Å; Y363-I367 VanDerWaalsContact O-CG1 3.26Å; Y363-I367 WeakPolarHBondContact O-CG1 3.38Å; Y363-I367 PolarHBondContact O-N 3.47Å; Y363-I367 VanDerWaalsContact O-N 3.12Å; G364-I367 PolarHBondContact O-N 2.76Å; G364-I367 VanDerWaalsContact O-N 3.13Å; I367-Q369 PolarHBondContact O-N 2.87Å; I367-P370 VanDerWaalsContact O-CD 3.26Å; I367-P370 WeakPolarHBondContact O-CD 3.25Å; I367-Y371 HydrophobicContact CG2-CD1 3.44Å; I367-Y371 VanDerWaalsContact CG2-CD1 3.44Å; I367-Y371 HydrophobicContact CG2-CD2 3.94Å; I367-Y371 HydrophobicContact CG2-CE1 3.44Å; I367-Y371 VanDerWaalsContact CG2-CE1 3.44Å; I367-Y371 HydrophobicContact CG2-CE2 3.93Å; I367-Y371 HydrophobicContact CG2-CG 3.7Å; I367-Y371 WeakPolarHBondContact O-CB 3.15Å; I367-Y371 PolarHBondContact O-N 3.39Å; I367-M385 HydrophobicContact CB-CE 4.34Å; I367-M385 HydrophobicContact CB-SD 4.42Å; I367-M385 HydrophobicContact CD1-CE 4.28Å; I367-M385 HydrophobicContact CG2-CE 3.75Å; I367-M385 HydrophobicContact CG2-CG 4.45Å; I367-M385 HydrophobicContact CG2-SD 4.28Å
368V97.4Very high97.9Very high18 Ų1844.7 Ų44.711%0.10924%0.241CC..Hα-helixtrans-62.7-36.9-162.468.70000114.4G364 S372 M385 Y386 L389G364-V368 PolarHBondContact O-N 2.96Å; V368-S372 PolarHBondContact O-N 3.16Å; V368-S372 VanDerWaalsContact O-N 3.13Å; V368-S372 PolarHBondContact O-OG 3.04Å; V368-M385 HydrophobicContact CB-CG 3.93Å; V368-M385 HydrophobicContact CG2-CG 3.96Å; V368-Y386 HydrophobicContact CG2-CD1 3.61Å; V368-Y386 HydrophobicContact CG2-CD2 4.23Å; V368-Y386 HydrophobicContact CG2-CE1 3.23Å; V368-Y386 HydrophobicContact CG2-CE2 3.91Å; V368-Y386 HydrophobicContact CG2-CG 4.08Å; V368-L389 HydrophobicContact CB-CD1 3.65Å; V368-L389 HydrophobicContact CG1-CD1 3.75Å; V368-L389 HydrophobicContact CG2-CD1 3.95Å
369Q97.2Very high97.9Very high116 Ų11640.4 Ų40.454%0.54222%0.218SC..Hα-helixtrans-74-48.8-178.8-177.664.827.600111.7I367 Y371 S372 V373I367-Q369 PolarHBondContact O-N 2.87Å; Q369-Y371 VanDerWaalsContact C-N 3.32Å; Q369-Y371 PolarHBondContact O-N 3.2Å; Q369-S372 WeakPolarHBondContact O-CB 3.45Å; Q369-S372 PolarHBondContact O-N 3.38Å; Q369-V373 PolarHBondContact O-N 3.26Å
370P98.2Very high98Very high15 Ų1541.2 Ų41.210%0.09722%0.219CC..Hα-helixtrans-58-39.8171.1-28.737.2000113.9T336 L341 K366 I367 S372 V373 H374T336-P370 HydrophobicContact CG2-CB 4.43Å; T336-P370 HydrophobicContact CG2-CG 3.83Å; L341-P370 HydrophobicContact CD1-CB 3.57Å; L341-P370 HydrophobicContact CD2-CB 3.77Å; L341-P370 HydrophobicContact CD2-CG 3.97Å; L341-P370 HydrophobicContact CG-CB 4.29Å; K366-P370 VanDerWaalsContact O-CD 3.25Å; K366-P370 WeakPolarHBondContact O-CD 3.41Å; I367-P370 VanDerWaalsContact O-CD 3.26Å; I367-P370 WeakPolarHBondContact O-CD 3.25Å; P370-S372 VanDerWaalsContact C-N 3.3Å; P370-S372 PolarHBondContact O-N 3.28Å; P370-V373 PolarHBondContact O-N 2.94Å; P370-H374 PolarHBondContact O-CD2 3.49Å; P370-H374 PolarHBondContact O-N 3.25Å
371Y98.1Very high98Very high11 Ų1143.5 Ų43.54%0.04323%0.231CC..Hα-helixtrans-56.5-45.5174.1-94.132.9000111.6L245 L341 I367 Q369 V373 H374 Y375 M385L245-Y371 HydrophobicContact CD1-CD1 4.15Å; L245-Y371 HydrophobicContact CD1-CE1 3.97Å; L245-Y371 HydrophobicContact CD2-CE1 3.71Å; L341-Y371 HydrophobicContact CB-CE1 4.07Å; L341-Y371 HydrophobicContact CD1-CD1 4.22Å; L341-Y371 HydrophobicContact CD1-CE1 4.35Å; I367-Y371 HydrophobicContact CG2-CD1 3.44Å; I367-Y371 VanDerWaalsContact CG2-CD1 3.44Å; I367-Y371 HydrophobicContact CG2-CD2 3.94Å; I367-Y371 HydrophobicContact CG2-CE1 3.44Å; I367-Y371 VanDerWaalsContact CG2-CE1 3.44Å; I367-Y371 HydrophobicContact CG2-CE2 3.93Å; I367-Y371 HydrophobicContact CG2-CG 3.7Å; I367-Y371 WeakPolarHBondContact O-CB 3.15Å; I367-Y371 PolarHBondContact O-N 3.39Å; Q369-Y371 VanDerWaalsContact C-N 3.32Å; Q369-Y371 PolarHBondContact O-N 3.2Å; Y371-V373 PolarHBondContact O-N 3.03Å; Y371-V373 VanDerWaalsContact O-N 3.11Å; Y371-H374 PolarHBondContact O-N 2.88Å; Y371-Y375 HydrophobicContact CD1-CE2 4.13Å; Y371-Y375 HydrophobicContact CD2-CD2 4.17Å; Y371-Y375 AromaticContact CD2-CE2 3.64Å; Y371-Y375 HydrophobicContact CD2-CE2 3.64Å; Y371-Y375 HydrophobicContact CE1-CE2 4.29Å; Y371-Y375 AromaticContact CE2-CE2 3.84Å; Y371-Y375 HydrophobicContact CE2-CE2 3.84Å; Y371-Y375 HydrophobicContact CG-CD2 4.08Å; Y371-Y375 AromaticContact CG-CE2 3.79Å; Y371-Y375 HydrophobicContact CG-CE2 3.79Å; Y371-Y375 WeakPolarHBondContact O-CB 3.48Å; Y371-Y375 WeakPolarHBondContact O-CD2 3.4Å; Y371-Y375 PolarHBondContact O-N 2.78Å; Y371-M385 HydrophobicContact CD2-CB 4.33Å; Y371-M385 HydrophobicContact CE2-CE 4.27Å
372S96.1Very high98Very high46 Ų4643.3 Ų43.332%0.32223%0.231SC..Hα-helixtrans-63.7-17179-55.60000113.6V368 Q369 P370 Y386V368-S372 PolarHBondContact O-N 3.16Å; V368-S372 VanDerWaalsContact O-N 3.13Å; V368-S372 PolarHBondContact O-OG 3.04Å; Q369-S372 WeakPolarHBondContact O-CB 3.45Å; Q369-S372 PolarHBondContact O-N 3.38Å; P370-S372 VanDerWaalsContact C-N 3.3Å; P370-S372 PolarHBondContact O-N 3.28Å; S372-Y386 PolarHBondContact OG-OH 2.87Å
373V96.7Very high98Very high88 Ų8841 Ų4153%0.53322%0.215SC..Hα-helixtrans-93.1-41.2176.4175.20000111.5Q369 P370 Y371Q369-V373 PolarHBondContact O-N 3.26Å; P370-V373 PolarHBondContact O-N 2.94Å; Y371-V373 PolarHBondContact O-N 3.03Å; Y371-V373 VanDerWaalsContact O-N 3.11Å
374H97.9Very high98Very high7 Ų739.7 Ų39.73%0.03221%0.21CC..Hα-helixtrans-79.7-36.4-172.8-66.2-33.6000113.1L245 K273 A276 T336 P370 Y371L245-H374 HydrophobicContact CD1-CB 3.92Å; K273-H374 PolarHBondContact NZ-O 2.85Å; A276-H374 PolarHBondContact O-CE1 3.44Å; A276-H374 VanDerWaalsContact O-CE1 3.29Å; T336-H374 PolarHBondContact O-NE2 3.45Å; P370-H374 PolarHBondContact O-CD2 3.49Å; P370-H374 PolarHBondContact O-N 3.25Å; Y371-H374 PolarHBondContact O-N 2.88Å
375Y98.5Very high98Very high7 Ų739.8 Ų39.83%0.02721%0.211CC..SBendtrans-78.5163.8179-78.3-79.8000112.9D243 L244 L245 K273 Y371 S379 N381 V382D243-Y375 VanDerWaalsContact OD1-CE1 3.31Å; D243-Y375 WeakPolarHBondContact OD1-CE1 3.47Å; D243-Y375 PolarHBondContact OD1-OH 3.14Å; D243-Y375 PolarHBondContact OD2-OH 2.98Å; L244-Y375 HydrophobicContact CB-CD1 4.22Å; L244-Y375 HydrophobicContact CB-CE1 4.38Å; L245-Y375 HydrophobicContact CB-CE1 4.3Å; L245-Y375 HydrophobicContact CB-CE2 4.07Å; L245-Y375 HydrophobicContact CD1-CD2 4.47Å; L245-Y375 HydrophobicContact CD1-CE2 3.92Å; L245-Y375 HydrophobicContact CG-CE2 4.44Å; K273-Y375 PolarHBondContact NZ-O 2.79Å; Y371-Y375 HydrophobicContact CD1-CE2 4.13Å; Y371-Y375 HydrophobicContact CD2-CD2 4.17Å; Y371-Y375 AromaticContact CD2-CE2 3.64Å; Y371-Y375 HydrophobicContact CD2-CE2 3.64Å; Y371-Y375 HydrophobicContact CE1-CE2 4.29Å; Y371-Y375 AromaticContact CE2-CE2 3.84Å; Y371-Y375 HydrophobicContact CE2-CE2 3.84Å; Y371-Y375 HydrophobicContact CG-CD2 4.08Å; Y371-Y375 AromaticContact CG-CE2 3.79Å; Y371-Y375 HydrophobicContact CG-CE2 3.79Å; Y371-Y375 WeakPolarHBondContact O-CB 3.48Å; Y371-Y375 WeakPolarHBondContact O-CD2 3.4Å; Y371-Y375 PolarHBondContact O-N 2.78Å; Y375-S379 WeakPolarHBondContact CD1-OG 3.24Å; Y375-N381 HydrophobicContact CD1-CB 4.23Å; Y375-N381 HydrophobicContact CD2-CB 4.37Å; Y375-N381 HydrophobicContact CE1-CB 3.62Å; Y375-N381 VanDerWaalsContact CE1-CG 3.45Å; Y375-N381 WeakPolarHBondContact CE1-OD1 3.46Å; Y375-N381 HydrophobicContact CE2-CB 3.81Å; Y375-N381 WeakPolarHBondContact OH-CB 3.17Å; Y375-N381 VanDerWaalsContact OH-CG 3.31Å; Y375-N381 PolarHBondContact OH-ND2 2.82Å; Y375-V382 HydrophobicContact CD2-CG2 3.93Å; Y375-V382 HydrophobicContact CG-CG2 4Å
376P97.7Very high98.1Very high38 Ų3836.5 Ų36.525%0.24719%0.194CC..  trans-61.1162.8167.1-20.933.7000112.5L244 Y378L244-P376 HydrophobicContact CD1-CG 3.61Å; P376-Y378 VanDerWaalsContact C-N 3.29Å; P376-Y378 PolarHBondContact O-N 3.24Å
377T96.4Very high98.1Very high121 Ų12131.3 Ų31.374%0.74217%0.172SC*.SBendtrans-53.5-44.2-178-61.90000113.1
378Y98.5Very high98.1Very high70 Ų7032.3 Ų32.328%0.27518%0.176SC..SBendtrans-104.8116169-58.7-73.1000108V29 V228 P376 I412 V415V29-Y378 HydrophobicContact CG1-CD2 4.46Å; V29-Y378 HydrophobicContact CG1-CE2 3.67Å; V228-Y378 HydrophobicContact CB-CD2 4.01Å; V228-Y378 HydrophobicContact CB-CG 4.36Å; V228-Y378 HydrophobicContact CG1-CD2 4.47Å; V228-Y378 HydrophobicContact CG1-CG 4.36Å; V228-Y378 WeakPolarHBondContact O-CD2 3.47Å; P376-Y378 VanDerWaalsContact C-N 3.29Å; P376-Y378 PolarHBondContact O-N 3.24Å; Y378-I412 HydrophobicContact CD1-CG2 4.39Å; Y378-V415 HydrophobicContact CD1-CB 3.88Å; Y378-V415 HydrophobicContact CD1-CG1 3.89Å; Y378-V415 HydrophobicContact CD1-CG2 4.1Å; Y378-V415 HydrophobicContact CD2-CG1 4.31Å; Y378-V415 HydrophobicContact CE1-CB 3.82Å; Y378-V415 HydrophobicContact CE1-CG1 3.94Å; Y378-V415 HydrophobicContact CE1-CG2 3.5Å; Y378-V415 HydrophobicContact CE2-CG1 4.34Å; Y378-V415 HydrophobicContact CG-CG1 4.09Å
379S98.6Very high98.1Very high6 Ų631.6 Ų31.64%0.04217%0.172CC..  trans-145128.8-180163.60000109.4Y375 N381 V382 A383Y375-S379 WeakPolarHBondContact CD1-OG 3.24Å; S379-N381 PolarHBondContact O-N 3.14Å; S379-N381 PolarHBondContact OG-N 3.22Å; S379-N381 PolarHBondContact OG-OD1 3.3Å; S379-V382 PolarHBondContact O-N 3.03Å; S379-V382 PolarHBondContact OG-N 3.12Å; S379-A383 PolarHBondContact O-N 3.1Å
380L98.7Very high98.2Very high31 Ų3126.1 Ų26.116%0.16215%0.146CC..Hα-helixtrans-63.3-33.9174.5-62.2-176000111.5L192 I215 T217 V382 A383 S384 A416L192-L380 HydrophobicContact CD1-CB 4.17Å; L192-L380 HydrophobicContact CD2-CB 3.84Å; L192-L380 HydrophobicContact CD2-CD1 4.2Å; L192-L380 HydrophobicContact CG-CB 4.45Å; I215-L380 HydrophobicContact CG2-CD1 3.72Å; I215-L380 HydrophobicContact CG2-CD2 4.16Å; I215-L380 HydrophobicContact CG2-CG 3.82Å; T217-L380 HydrophobicContact CG2-CD1 4.23Å; T217-L380 HydrophobicContact CG2-CD2 4.19Å; L380-V382 VanDerWaalsContact C-N 3.33Å; L380-V382 PolarHBondContact O-N 3.15Å; L380-A383 PolarHBondContact O-N 3.29Å; L380-S384 VanDerWaalsContact O-CB 3.28Å; L380-S384 WeakPolarHBondContact O-CB 3.32Å; L380-S384 PolarHBondContact O-N 3.47Å; L380-A416 HydrophobicContact CD2-CB 3.73Å
381N98.8Very high98.2Very high48 Ų4828.1 Ų28.126%0.25715%0.152SC..Hα-helixtrans-63.1-40.1176.7-50.479.7000111.7L192 Y375 S379 M385L192-N381 HydrophobicContact CD1-CB 4.31Å; Y375-N381 HydrophobicContact CD1-CB 4.23Å; Y375-N381 HydrophobicContact CD2-CB 4.37Å; Y375-N381 HydrophobicContact CE1-CB 3.62Å; Y375-N381 VanDerWaalsContact CE1-CG 3.45Å; Y375-N381 WeakPolarHBondContact CE1-OD1 3.46Å; Y375-N381 HydrophobicContact CE2-CB 3.81Å; Y375-N381 WeakPolarHBondContact OH-CB 3.17Å; Y375-N381 VanDerWaalsContact OH-CG 3.31Å; Y375-N381 PolarHBondContact OH-ND2 2.82Å; S379-N381 PolarHBondContact O-N 3.14Å; S379-N381 PolarHBondContact OG-N 3.22Å; S379-N381 PolarHBondContact OG-OD1 3.3Å; N381-M385 WeakPolarHBondContact O-CB 3.31Å; N381-M385 PolarHBondContact O-N 2.87Å
382V98.8Very high98.2Very high8 Ų828.1 Ų28.15%0.04815%0.153CC..Hα-helixtrans-69.2-43.7175.4178.50000110.7Y375 S379 L380 M385 Y386 I412Y375-V382 HydrophobicContact CD2-CG2 3.93Å; Y375-V382 HydrophobicContact CG-CG2 4Å; S379-V382 PolarHBondContact O-N 3.03Å; S379-V382 PolarHBondContact OG-N 3.12Å; L380-V382 VanDerWaalsContact C-N 3.33Å; L380-V382 PolarHBondContact O-N 3.15Å; V382-M385 PolarHBondContact O-N 2.71Å; V382-Y386 HydrophobicContact CG1-CD2 3.76Å; V382-Y386 HydrophobicContact CG1-CE2 3.58Å; V382-Y386 VanDerWaalsContact O-CD2 3.24Å; V382-Y386 WeakPolarHBondContact O-CD2 3.43Å; V382-Y386 PolarHBondContact O-N 2.9Å; V382-I412 HydrophobicContact CB-CD1 4.1Å; V382-I412 HydrophobicContact CG1-CD1 3.72Å
383A98.8Very high98.3Very high3 Ų327.2 Ų27.23%0.02514%0.142CC..Hα-helixtrans-60.6-49.4177.200000112S379 L380 M385 Y386 L387 A409 I412 M413S379-A383 PolarHBondContact O-N 3.1Å; L380-A383 PolarHBondContact O-N 3.29Å; A383-M385 PolarHBondContact O-N 2.99Å; A383-Y386 PolarHBondContact O-N 2.94Å; A383-L387 WeakPolarHBondContact O-CB 3.48Å; A383-L387 PolarHBondContact O-N 3.24Å; A383-A409 WeakPolarHBondContact O-CB 3.49Å; A383-I412 HydrophobicContact CB-CB 3.99Å; A383-I412 HydrophobicContact CB-CD1 4.34Å; A383-I412 HydrophobicContact CB-CG2 3.89Å; A383-M413 HydrophobicContact CB-CG 4.13Å
384S98.6Very high98.4Very high3 Ų324.2 Ų24.22%0.02112%0.123CC..Hα-helixtrans-58.8-43.6176.8161.80000111.8E191 L380 Y386 L387 K388E191-S384 WeakPolarHBondContact CA-OG 3.46Å; E191-S384 PolarHBondContact O-OG 2.92Å; L380-S384 VanDerWaalsContact O-CB 3.28Å; L380-S384 WeakPolarHBondContact O-CB 3.32Å; L380-S384 PolarHBondContact O-N 3.47Å; S384-Y386 PolarHBondContact O-N 3.33Å; S384-L387 WeakPolarHBondContact O-CB 3.43Å; S384-L387 PolarHBondContact O-N 3.28Å; S384-L387 VanDerWaalsContact O-N 3.14Å; S384-K388 WeakPolarHBondContact O-CG 3.34Å; S384-K388 PolarHBondContact O-N 2.97Å
385M98.6Very high98.3Very high2 Ų226.9 Ų26.91%0.0115%0.153CC..Hα-helixtrans-61.8-44176.5-177.554.55900112.2Y345 M348 I367 V368 Y371 N381 V382 A383 L387 L389Y345-M385 HydrophobicContact CD2-CE 3.62Å; Y345-M385 HydrophobicContact CE2-CE 3.84Å; M348-M385 HydrophobicContact CE-SD 4.2Å; M348-M385 HydrophobicContact SD-CE 3.96Å; M348-M385 HydrophobicContact SD-SD 3.97Å; I367-M385 HydrophobicContact CB-CE 4.34Å; I367-M385 HydrophobicContact CB-SD 4.42Å; I367-M385 HydrophobicContact CD1-CE 4.28Å; I367-M385 HydrophobicContact CG2-CE 3.75Å; I367-M385 HydrophobicContact CG2-CG 4.45Å; I367-M385 HydrophobicContact CG2-SD 4.28Å; V368-M385 HydrophobicContact CB-CG 3.93Å; V368-M385 HydrophobicContact CG2-CG 3.96Å; Y371-M385 HydrophobicContact CD2-CB 4.33Å; Y371-M385 HydrophobicContact CE2-CE 4.27Å; N381-M385 WeakPolarHBondContact O-CB 3.31Å; N381-M385 PolarHBondContact O-N 2.87Å; V382-M385 PolarHBondContact O-N 2.71Å; A383-M385 PolarHBondContact O-N 2.99Å; M385-L387 VanDerWaalsContact C-N 3.29Å; M385-L387 PolarHBondContact O-N 2.76Å; M385-L389 WeakPolarHBondContact O-CB 3.46Å; M385-L389 PolarHBondContact O-N 2.77Å
386Y98.8Very high98.2Very high19 Ų1928.7 Ų28.78%0.07516%0.163CC..Hα-helixtrans-65.6-33174.3-82.4-60.8000112.7V368 S372 V382 A383 S384 G390 A405 K408V368-Y386 HydrophobicContact CG2-CD1 3.61Å; V368-Y386 HydrophobicContact CG2-CD2 4.23Å; V368-Y386 HydrophobicContact CG2-CE1 3.23Å; V368-Y386 HydrophobicContact CG2-CE2 3.91Å; V368-Y386 HydrophobicContact CG2-CG 4.08Å; S372-Y386 PolarHBondContact OG-OH 2.87Å; V382-Y386 HydrophobicContact CG1-CD2 3.76Å; V382-Y386 HydrophobicContact CG1-CE2 3.58Å; V382-Y386 VanDerWaalsContact O-CD2 3.24Å; V382-Y386 WeakPolarHBondContact O-CD2 3.43Å; V382-Y386 PolarHBondContact O-N 2.9Å; A383-Y386 PolarHBondContact O-N 2.94Å; S384-Y386 PolarHBondContact O-N 3.33Å; Y386-G390 PolarHBondContact O-N 3.42Å; Y386-A405 HydrophobicContact CD1-CB 4.31Å; Y386-K408 HydrophobicContact CD1-CB 3.96Å; Y386-K408 HydrophobicContact CD1-CD 3.78Å; Y386-K408 HydrophobicContact CD2-CB 3.94Å; Y386-K408 HydrophobicContact CD2-CD 4.48Å; Y386-K408 HydrophobicContact CE1-CB 4.19Å; Y386-K408 HydrophobicContact CE1-CD 3.23Å; Y386-K408 HydrophobicContact CE1-CG 4.38Å; Y386-K408 HydrophobicContact CE2-CB 4.18Å; Y386-K408 HydrophobicContact CE2-CD 4.03Å; Y386-K408 HydrophobicContact CG-CB 3.84Å; Y386-K408 HydrophobicContact CG-CD 4.38Å; Y386-K408 PolarHBondContact OH-NZ 2.82Å
387L98.6Very high98.1Very high0 Ų033.6 Ų33.60%018%0.182CC..Hα-helixtrans-67.9-50.1177.7-172.661.8000111.1E190 E191 A383 S384 M385 L389 G390 R391 L406 A409 V427E190-L387 HydrophobicContact CB-CD2 3.91Å; E190-L387 HydrophobicContact CG-CD2 3.28Å; E191-L387 HydrophobicContact CG-CD2 3.84Å; E191-L387 HydrophobicContact CG-CG 4.3Å; A383-L387 WeakPolarHBondContact O-CB 3.48Å; A383-L387 PolarHBondContact O-N 3.24Å; S384-L387 WeakPolarHBondContact O-CB 3.43Å; S384-L387 PolarHBondContact O-N 3.28Å; S384-L387 VanDerWaalsContact O-N 3.14Å; M385-L387 VanDerWaalsContact C-N 3.29Å; M385-L387 PolarHBondContact O-N 2.76Å; L387-L389 PolarHBondContact O-N 3.45Å; L387-G390 PolarHBondContact O-N 3.07Å; L387-G390 VanDerWaalsContact O-N 3.13Å; L387-R391 WeakPolarHBondContact O-CG 3.39Å; L387-R391 PolarHBondContact O-N 3.33Å; L387-L406 HydrophobicContact CD1-CD2 3.6Å; L387-A409 HydrophobicContact CB-CB 4.16Å; L387-V427 HydrophobicContact CD1-CG2 3.67Å
388K98.6Very high98.2Very high21 Ų2130.9 Ų30.99%0.09116%0.16CC..Hα-helixtrans-56-49.5174.7-72.1176.6-175.2176.60111.5E191 Y345 M348 S384 G390 R391 L392E191-K388 HydrophobicContact CG-CG 4.17Å; E191-K388 VanDerWaalsContact O-CE 3.26Å; E191-K388 WeakPolarHBondContact O-CE 3.34Å; E191-K388 PolarHBondContact O-NZ 3.37Å; E191-K388 WeakPolarHBondContact OE2-CE 3.46Å; E191-K388 WeakPolarHBondContact OE2-CG 3.46Å; Y345-K388 PolarHBondContact OH-NZ 3.34Å; M348-K388 HydrophobicContact CE-CB 3.9Å; M348-K388 HydrophobicContact CE-CD 4.45Å; S384-K388 WeakPolarHBondContact O-CG 3.34Å; S384-K388 PolarHBondContact O-N 2.97Å; K388-G390 PolarHBondContact O-N 3.34Å; K388-R391 PolarHBondContact O-N 3.36Å; K388-L392 WeakPolarHBondContact O-CB 3.25Å; K388-L392 WeakPolarHBondContact O-CG 3.49Å; K388-L392 PolarHBondContact O-N 3.13Å
389L98.4Very high98.1Very high4 Ų432.4 Ų32.42%0.02117%0.168CC..Hα-helixtrans-61.9-41.6175.3-83.9179000112.7E365 V368 M385 L387 L392 Y393E365-L389 HydrophobicContact CG-CD2 4.43Å; V368-L389 HydrophobicContact CB-CD1 3.65Å; V368-L389 HydrophobicContact CG1-CD1 3.75Å; V368-L389 HydrophobicContact CG2-CD1 3.95Å; M385-L389 WeakPolarHBondContact O-CB 3.46Å; M385-L389 PolarHBondContact O-N 2.77Å; L387-L389 PolarHBondContact O-N 3.45Å; L389-L392 PolarHBondContact O-N 2.95Å; L389-Y393 HydrophobicContact CB-CD2 4.48Å; L389-Y393 HydrophobicContact CB-CE2 4.26Å; L389-Y393 WeakPolarHBondContact O-CB 3.26Å; L389-Y393 WeakPolarHBondContact O-CD2 3.32Å; L389-Y393 VanDerWaalsContact O-CG 3.29Å; L389-Y393 PolarHBondContact O-N 3.02Å
390G98.5Very high98Very high0 Ų036.8 Ų36.80%020%0.199CC..Hα-helixtrans-58.1-50.5177.600000111.7Y386 L387 K388 Y393 L394Y386-G390 PolarHBondContact O-N 3.42Å; L387-G390 PolarHBondContact O-N 3.07Å; L387-G390 VanDerWaalsContact O-N 3.13Å; K388-G390 PolarHBondContact O-N 3.34Å; G390-Y393 PolarHBondContact O-N 3.5Å; G390-L394 WeakPolarHBondContact O-CG 3.5Å; G390-L394 PolarHBondContact O-N 2.7Å
391R98.4Very high98Very high57 Ų5739.4 Ų39.422%0.21521%0.21CC..Hα-helixtrans-64.5-42.3178.1-70.9171.1171.9173.4-5.7112.2E190 E191 L387 K388 L394 G395 L406 E430E190-R391 IonicContact OE1-CZ 2.76Å; E190-R391 IonicContact OE1-NH1 3.89Å; E190-R391 PolarHBondContact OE1-NH1 2.84Å; E190-R391 IonicContact OE1-NH2 3.15Å; E190-R391 PolarHBondContact OE1-NH2 3.3Å; E190-R391 VanDerWaalsContact OE1-NH2 3.14Å; E191-R391 VanDerWaalsContact OE1-CD 3.26Å; E191-R391 WeakPolarHBondContact OE1-CD 3.32Å; E191-R391 IonicContact OE1-CZ 2.77Å; E191-R391 IonicContact OE1-NE 2.84Å; E191-R391 IonicContact OE1-NH1 3.56Å; E191-R391 PolarHBondContact OE1-NH1 3.48Å; L387-R391 WeakPolarHBondContact O-CG 3.39Å; L387-R391 PolarHBondContact O-N 3.33Å; K388-R391 PolarHBondContact O-N 3.36Å; R391-L394 PolarHBondContact O-N 2.78Å; R391-G395 PolarHBondContact O-N 3.34Å; R391-L406 HydrophobicContact CG-CD2 4.46Å; R391-E430 IonicContact CZ-OE1 3.71Å; R391-E430 IonicContact NE-OE1 3.03Å; R391-E430 PolarHBondContact NE-OE1 3.01Å; R391-E430 IonicContact NE-OE2 2.87Å; R391-E430 PolarHBondContact NE-OE2 3.07Å; R391-E430 IonicContact NH2-OE1 2.81Å; R391-E430 PolarHBondContact NH2-OE1 3.47Å
392L98.3Very high98Very high12 Ų1237.1 Ų37.16%0.06320%0.198CC..Hα-helixtrans-58.8-47.7172.9-78.3169.6000112.1M348 L352 W357 A360 M361 K388 L389 L394 G395 L396M348-L392 HydrophobicContact CE-CD1 3.9Å; L352-L392 HydrophobicContact CD2-CD1 4.29Å; L352-L392 HydrophobicContact CD2-CD2 3.9Å; L352-L392 HydrophobicContact CD2-CG 4.37Å; W357-L392 HydrophobicContact CB-CD2 4.22Å; W357-L392 HydrophobicContact CE3-CD2 3.81Å; A360-L392 HydrophobicContact CB-CD1 3.98Å; A360-L392 HydrophobicContact CB-CD2 4.24Å; M361-L392 HydrophobicContact CB-CD1 4.46Å; K388-L392 WeakPolarHBondContact O-CB 3.25Å; K388-L392 WeakPolarHBondContact O-CG 3.49Å; K388-L392 PolarHBondContact O-N 3.13Å; L389-L392 PolarHBondContact O-N 2.95Å; L392-L394 VanDerWaalsContact C-N 3.34Å; L392-L394 PolarHBondContact O-N 2.88Å; L392-G395 PolarHBondContact O-N 2.86Å; L392-L396 WeakPolarHBondContact O-CB 3.42Å; L392-L396 WeakPolarHBondContact O-CG 3.41Å; L392-L396 PolarHBondContact O-N 3.48Å
393Y98.4Very high98Very high27 Ų2738.1 Ų38.111%0.10620%0.204CC..Hα-helixtrans-61.5-41.6177.6-75-44.1000112.4M361 E365 L389 G390 L396 E397 K398 Q401 G402 A405M361-Y393 HydrophobicContact CG-CD1 4.32Å; M361-Y393 HydrophobicContact CG-CE1 3.91Å; M361-Y393 HydrophobicContact SD-CD1 3.9Å; M361-Y393 HydrophobicContact SD-CE1 3.75Å; E365-Y393 VanDerWaalsContact CD-OH 3.31Å; E365-Y393 WeakPolarHBondContact CG-OH 3.25Å; E365-Y393 VanDerWaalsContact OE1-CE1 3.25Å; E365-Y393 WeakPolarHBondContact OE1-CE1 3.41Å; E365-Y393 PolarHBondContact OE1-OH 3.46Å; L389-Y393 HydrophobicContact CB-CD2 4.48Å; L389-Y393 HydrophobicContact CB-CE2 4.26Å; L389-Y393 WeakPolarHBondContact O-CB 3.26Å; L389-Y393 WeakPolarHBondContact O-CD2 3.32Å; L389-Y393 VanDerWaalsContact O-CG 3.29Å; L389-Y393 PolarHBondContact O-N 3.02Å; G390-Y393 PolarHBondContact O-N 3.5Å; Y393-L396 CarbonylContact O-C 3.48Å; Y393-L396 PolarHBondContact O-N 2.77Å; Y393-E397 PolarHBondContact O-N 2.83Å; Y393-K398 HydrophobicContact CD1-CB 3.99Å; Y393-K398 HydrophobicContact CD1-CD 3.77Å; Y393-K398 HydrophobicContact CE1-CD 4.2Å; Y393-K398 HydrophobicContact CG-CB 4.37Å; Y393-K398 CarbonylContact O-C 3.59Å; Y393-K398 WeakPolarHBondContact O-CA 3.47Å; Y393-K398 WeakPolarHBondContact O-CB 3.4Å; Y393-K398 PolarHBondContact O-N 3.14Å; Y393-Q401 HydrophobicContact CD1-CB 3.95Å; Y393-Q401 HydrophobicContact CD2-CB 3.64Å; Y393-Q401 HydrophobicContact CE1-CB 4.12Å; Y393-Q401 HydrophobicContact CE2-CB 3.81Å; Y393-Q401 HydrophobicContact CG-CB 3.7Å; Y393-G402 VanDerWaalsContact CB-CA 3.47Å; Y393-A405 HydrophobicContact CD2-CB 4.29Å; Y393-A405 HydrophobicContact CE2-CB 4.48Å
394L97.6Very high97.9Very high24 Ų2444.8 Ų44.813%0.12623%0.233CC..Hα-helixtrans-64-45.6176.4-67.1-172.1000111.4G390 R391 L392 L396 E397 L406 Q434G390-L394 WeakPolarHBondContact O-CG 3.5Å; G390-L394 PolarHBondContact O-N 2.7Å; R391-L394 PolarHBondContact O-N 2.78Å; L392-L394 VanDerWaalsContact C-N 3.34Å; L392-L394 PolarHBondContact O-N 2.88Å; L394-L396 PolarHBondContact O-N 3.32Å; L394-E397 PolarHBondContact O-N 2.9Å; L394-L406 HydrophobicContact CD1-CD1 3.63Å; L394-L406 HydrophobicContact CG-CD1 4.48Å; L394-Q434 HydrophobicContact CD1-CG 4.01Å; L394-Q434 HydrophobicContact CD2-CG 3.75Å
395G96.3Very high97.9Very high64 Ų6445 Ų4566%0.6624%0.235SC*.Hα-helixtrans-62.5-27.9176.700000114R391 L392 E397R391-G395 PolarHBondContact O-N 3.34Å; L392-G395 PolarHBondContact O-N 2.86Å; G395-E397 VanDerWaalsContact C-N 3.34Å
396L96.6Very high97.9Very high44 Ų4444.9 Ų44.923%0.2323%0.234CC..THydrogen-bonded Turntrans-93.517.8175.1-66.7172.1000113.3W357 M361 L392 Y393 L394 K398W357-L396 HydrophobicContact CB-CD1 4.32Å; W357-L396 HydrophobicContact CB-CD2 4.01Å; W357-L396 HydrophobicContact CB-CG 4.32Å; M361-L396 HydrophobicContact CB-CD1 4.19Å; M361-L396 HydrophobicContact CE-CD1 3.92Å; M361-L396 HydrophobicContact CG-CD1 4.47Å; M361-L396 HydrophobicContact SD-CD1 3.58Å; M361-L396 VanDerWaalsContact SD-CD1 3.58Å; L392-L396 WeakPolarHBondContact O-CB 3.42Å; L392-L396 WeakPolarHBondContact O-CG 3.41Å; L392-L396 PolarHBondContact O-N 3.48Å; Y393-L396 CarbonylContact O-C 3.48Å; Y393-L396 PolarHBondContact O-N 2.77Å; L394-L396 PolarHBondContact O-N 3.32Å; L396-K398 PolarHBondContact O-N 3.18Å; L396-K398 VanDerWaalsContact O-N 3.07Å
397E96.6Very high97.9Very high142 Ų14249.8 Ų49.866%0.66426%0.256SS*.THydrogen-bonded Turntrans59.818.1178.5-60.7-64.8160.700115Y393 L394 G395 K399Y393-E397 PolarHBondContact O-N 2.83Å; L394-E397 PolarHBondContact O-N 2.9Å; G395-E397 VanDerWaalsContact C-N 3.34Å; E397-K399 VanDerWaalsContact C-N 3.25Å; E397-K399 PolarHBondContact O-N 2.87Å; E397-K399 VanDerWaalsContact O-N 3.13Å; E397-K399 VanDerWaalsContact OE2-CE 3.3Å; E397-K399 WeakPolarHBondContact OE2-CE 3.46Å
398K97.1Very high97.9Very high64 Ų6453.8 Ų53.828%0.27827%0.273SS..  trans-88.156174.5-67.3177-179.81800111M361 Y393 L396 S400 Q401 G402M361-K398 HydrophobicContact SD-CD 3.98Å; M361-K398 PolarHBondContact SD-NZ 3.38Å; Y393-K398 HydrophobicContact CD1-CB 3.99Å; Y393-K398 HydrophobicContact CD1-CD 3.77Å; Y393-K398 HydrophobicContact CE1-CD 4.2Å; Y393-K398 HydrophobicContact CG-CB 4.37Å; Y393-K398 CarbonylContact O-C 3.59Å; Y393-K398 WeakPolarHBondContact O-CA 3.47Å; Y393-K398 WeakPolarHBondContact O-CB 3.4Å; Y393-K398 PolarHBondContact O-N 3.14Å; L396-K398 PolarHBondContact O-N 3.18Å; L396-K398 VanDerWaalsContact O-N 3.07Å; K398-S400 VanDerWaalsContact C-N 3.34Å; K398-S400 PolarHBondContact O-N 3.03Å; K398-Q401 HydrophobicContact CB-CB 4.43Å; K398-Q401 PolarHBondContact O-N 2.85Å; K398-G402 PolarHBondContact O-N 3.35Å
399K96.7Very high97.9Very high102 Ų10252.8 Ų52.844%0.44327%0.269SS..Hα-helixtrans-51.3-45.2-169.3-63.9-173.7179.5-174.80114.3E397 Q401 G402 V403E397-K399 VanDerWaalsContact C-N 3.25Å; E397-K399 PolarHBondContact O-N 2.87Å; E397-K399 VanDerWaalsContact O-N 3.13Å; E397-K399 VanDerWaalsContact OE2-CE 3.3Å; E397-K399 WeakPolarHBondContact OE2-CE 3.46Å; K399-Q401 PolarHBondContact O-N 3.46Å; K399-G402 PolarHBondContact O-N 2.67Å; K399-V403 WeakPolarHBondContact O-CG2 3.39Å; K399-V403 PolarHBondContact O-N 3.13Å
400S97.4Very high97.9Very high98 Ų9853.6 Ų53.669%0.68527%0.273SS*.Hα-helixtrans-64.6-39.5-179.4-175.20000112.7K398 K404K398-S400 VanDerWaalsContact C-N 3.34Å; K398-S400 PolarHBondContact O-N 3.03Å; S400-K404 WeakPolarHBondContact O-CB 3.31Å; S400-K404 PolarHBondContact O-N 2.94Å
401Q97.9Very high97.9Very high86 Ų8656.2 Ų56.240%0.40230%0.295SS..Hα-helixtrans-70.1-42.7175.3-67.8108.8-57.600111Y393 K398 K399 K404 A405Y393-Q401 HydrophobicContact CD1-CB 3.95Å; Y393-Q401 HydrophobicContact CD2-CB 3.64Å; Y393-Q401 HydrophobicContact CE1-CB 4.12Å; Y393-Q401 HydrophobicContact CE2-CB 3.81Å; Y393-Q401 HydrophobicContact CG-CB 3.7Å; K398-Q401 HydrophobicContact CB-CB 4.43Å; K398-Q401 PolarHBondContact O-N 2.85Å; K399-Q401 PolarHBondContact O-N 3.46Å; Q401-K404 PolarHBondContact O-N 3.48Å; Q401-K404 VanDerWaalsContact O-N 3.17Å; Q401-A405 PolarHBondContact O-N 2.71Å
402G98.3Very high98Very high0 Ų054.4 Ų54.40%029%0.289CS..Hα-helixtrans-57.2-53.1178.100000112.2Y393 K398 K399 K404 A405 L406Y393-G402 VanDerWaalsContact CB-CA 3.47Å; K398-G402 PolarHBondContact O-N 3.35Å; K399-G402 PolarHBondContact O-N 2.67Å; G402-K404 VanDerWaalsContact C-N 3.27Å; G402-K404 PolarHBondContact O-N 3.5Å; G402-A405 PolarHBondContact O-N 2.69Å; G402-A405 VanDerWaalsContact O-N 3.16Å; G402-L406 WeakPolarHBondContact O-CG 3.44Å; G402-L406 PolarHBondContact O-N 3.14Å
403V98.5Very high98Very high29 Ų2953.9 Ų53.918%0.17629%0.287CS..Hα-helixtrans-59.3-38.3176.8171.10000112K399 K407 I431 Q434K399-V403 WeakPolarHBondContact O-CG2 3.39Å; K399-V403 PolarHBondContact O-N 3.13Å; V403-K407 HydrophobicContact CG1-CD 4.17Å; V403-K407 WeakPolarHBondContact O-CB 3.45Å; V403-K407 VanDerWaalsContact O-CG 3.28Å; V403-K407 WeakPolarHBondContact O-CG 3.41Å; V403-K407 PolarHBondContact O-N 3.36Å; V403-I431 HydrophobicContact CG1-CG2 4.08Å; V403-Q434 HydrophobicContact CG2-CB 3.73Å; V403-Q434 HydrophobicContact CG2-CG 3.97Å
404K98.4Very high98Very high142 Ų14255.1 Ų55.162%0.61729%0.293SS*.Hα-helixtrans-66.5-41.6178.1-173.9179.6179.8-178.10111.8S400 Q401 G402 K408S400-K404 WeakPolarHBondContact O-CB 3.31Å; S400-K404 PolarHBondContact O-N 2.94Å; Q401-K404 PolarHBondContact O-N 3.48Å; Q401-K404 VanDerWaalsContact O-N 3.17Å; G402-K404 VanDerWaalsContact C-N 3.27Å; G402-K404 PolarHBondContact O-N 3.5Å; K404-K408 PolarHBondContact O-N 2.94Å
405A98.6Very high98.1Very high8 Ų855 Ų557%0.06629%0.294CS..Hα-helixtrans-69.1-47.1177.700000111.5Y386 Y393 Q401 G402 K407 K408 A409Y386-A405 HydrophobicContact CD1-CB 4.31Å; Y393-A405 HydrophobicContact CD2-CB 4.29Å; Y393-A405 HydrophobicContact CE2-CB 4.48Å; Q401-A405 PolarHBondContact O-N 2.71Å; G402-A405 PolarHBondContact O-N 2.69Å; G402-A405 VanDerWaalsContact O-N 3.16Å; A405-K407 VanDerWaalsContact C-N 3.3Å; A405-K407 PolarHBondContact O-N 3.26Å; A405-K408 WeakPolarHBondContact O-CA 3.25Å; A405-K408 WeakPolarHBondContact O-CB 3.39Å; A405-K408 PolarHBondContact O-N 2.97Å; A405-A409 PolarHBondContact O-N 2.99Å
406L98.7Very high98.2Very high0 Ų052 Ų520%026%0.262CS..Hα-helixtrans-58.5-39.1176.6-67.6-177000112.5L387 R391 L394 G402 K408 A409 L410 V427 E430 I431L387-L406 HydrophobicContact CD1-CD2 3.6Å; R391-L406 HydrophobicContact CG-CD2 4.46Å; L394-L406 HydrophobicContact CD1-CD1 3.63Å; L394-L406 HydrophobicContact CG-CD1 4.48Å; G402-L406 WeakPolarHBondContact O-CG 3.44Å; G402-L406 PolarHBondContact O-N 3.14Å; L406-K408 VanDerWaalsContact C-N 3.29Å; L406-K408 PolarHBondContact O-N 3.2Å; L406-A409 PolarHBondContact O-N 2.84Å; L406-L410 VanDerWaalsContact O-CB 3.27Å; L406-L410 WeakPolarHBondContact O-CB 3.37Å; L406-L410 PolarHBondContact O-N 3.4Å; L406-V427 HydrophobicContact CB-CG1 4.21Å; L406-V427 HydrophobicContact CD2-CG1 4.44Å; L406-E430 HydrophobicContact CD1-CB 4.12Å; L406-I431 HydrophobicContact CB-CD1 3.82Å; L406-I431 HydrophobicContact CB-CG1 3.69Å; L406-I431 HydrophobicContact CD1-CG1 3.93Å; L406-I431 HydrophobicContact CG-CG1 4.49Å
407K98.6Very high98.3Very high122 Ų12250.5 Ų50.553%0.5325%0.254SS..Hα-helixtrans-63-33.5174.2-77.9177.3178.8178.70113.3V403 A405 A411 I431V403-K407 HydrophobicContact CG1-CD 4.17Å; V403-K407 WeakPolarHBondContact O-CB 3.45Å; V403-K407 VanDerWaalsContact O-CG 3.28Å; V403-K407 WeakPolarHBondContact O-CG 3.41Å; V403-K407 PolarHBondContact O-N 3.36Å; A405-K407 VanDerWaalsContact C-N 3.3Å; A405-K407 PolarHBondContact O-N 3.26Å; K407-A411 PolarHBondContact O-N 2.92Å; K407-A411 VanDerWaalsContact O-N 3.13Å; K407-I431 HydrophobicContact CG-CD1 3.97Å
408K98.5Very high98.3Very high84 Ų8444 Ų4437%0.36523%0.225SC..Hα-helixtrans-71.4-43.4175.4-72.5-177.8169.5-170.20111.6Y386 K404 A405 L406 L410 A411Y386-K408 HydrophobicContact CD1-CB 3.96Å; Y386-K408 HydrophobicContact CD1-CD 3.78Å; Y386-K408 HydrophobicContact CD2-CB 3.94Å; Y386-K408 HydrophobicContact CD2-CD 4.48Å; Y386-K408 HydrophobicContact CE1-CB 4.19Å; Y386-K408 HydrophobicContact CE1-CD 3.23Å; Y386-K408 HydrophobicContact CE1-CG 4.38Å; Y386-K408 HydrophobicContact CE2-CB 4.18Å; Y386-K408 HydrophobicContact CE2-CD 4.03Å; Y386-K408 HydrophobicContact CG-CB 3.84Å; Y386-K408 HydrophobicContact CG-CD 4.38Å; Y386-K408 PolarHBondContact OH-NZ 2.82Å; K404-K408 PolarHBondContact O-N 2.94Å; A405-K408 WeakPolarHBondContact O-CA 3.25Å; A405-K408 WeakPolarHBondContact O-CB 3.39Å; A405-K408 PolarHBondContact O-N 2.97Å; L406-K408 VanDerWaalsContact C-N 3.29Å; L406-K408 PolarHBondContact O-N 3.2Å; K408-L410 VanDerWaalsContact C-N 3.33Å; K408-A411 PolarHBondContact O-N 3.46Å
409A98.7Very high98.4Very high0 Ų048 Ų480%024%0.242CC..Hα-helixtrans-57.5-49.2172.200000110.6A383 L387 A405 L406 A411 I412 M413A383-A409 WeakPolarHBondContact O-CB 3.49Å; L387-A409 HydrophobicContact CB-CB 4.16Å; A405-A409 PolarHBondContact O-N 2.99Å; L406-A409 PolarHBondContact O-N 2.84Å; A409-A411 VanDerWaalsContact C-N 3.32Å; A409-A411 PolarHBondContact O-N 3.1Å; A409-I412 PolarHBondContact O-N 3.17Å; A409-I412 VanDerWaalsContact O-N 3.1Å; A409-M413 HydrophobicContact CB-SD 4.35Å; A409-M413 VanDerWaalsContact O-CG 3.29Å; A409-M413 WeakPolarHBondContact O-CG 3.25Å; A409-M413 PolarHBondContact O-N 3.42Å
410L98.6Very high98.4Very high20 Ų2048.8 Ų48.811%0.10525%0.252CS..Hα-helixtrans-56.9-41.8-179.2-171.965.2000112.9L406 K408 I412 M413 E414 V424 V427 K428 I431L406-L410 VanDerWaalsContact O-CB 3.27Å; L406-L410 WeakPolarHBondContact O-CB 3.37Å; L406-L410 PolarHBondContact O-N 3.4Å; K408-L410 VanDerWaalsContact C-N 3.33Å; L410-I412 VanDerWaalsContact C-N 3.27Å; L410-I412 PolarHBondContact O-N 2.92Å; L410-M413 PolarHBondContact O-N 3.4Å; L410-E414 HydrophobicContact CD1-CG 4.31Å; L410-E414 HydrophobicContact CG-CG 4.32Å; L410-E414 WeakPolarHBondContact O-CB 3.4Å; L410-E414 WeakPolarHBondContact O-CG 3.33Å; L410-E414 PolarHBondContact O-N 3.05Å; L410-V424 HydrophobicContact CD1-CB 4.34Å; L410-V424 HydrophobicContact CD1-CG1 3.75Å; L410-V427 HydrophobicContact CB-CG1 4.27Å; L410-V427 HydrophobicContact CD1-CB 4.3Å; L410-V427 HydrophobicContact CD1-CG1 4.2Å; L410-K428 HydrophobicContact CD1-CG 4.05Å; L410-K428 HydrophobicContact CD2-CG 3.72Å; L410-I431 HydrophobicContact CD2-CD1 4.11Å
411A98.6Very high98.4Very high56 Ų5644.1 Ų44.146%0.46322%0.219SC..Hα-helixtrans-61-34.9179.300000113.1K407 K408 A409K407-A411 PolarHBondContact O-N 2.92Å; K407-A411 VanDerWaalsContact O-N 3.13Å; K408-A411 PolarHBondContact O-N 3.46Å; A409-A411 VanDerWaalsContact C-N 3.32Å; A409-A411 PolarHBondContact O-N 3.1Å
412I98.8Very high98.3Very high18 Ų1843.5 Ų43.59%0.09222%0.216CC..Hα-helixtrans-78.9-44175.7-60.4169.2000110.1Y378 V382 A383 A409 L410 E414 V415 A416Y378-I412 HydrophobicContact CD1-CG2 4.39Å; V382-I412 HydrophobicContact CB-CD1 4.1Å; V382-I412 HydrophobicContact CG1-CD1 3.72Å; A383-I412 HydrophobicContact CB-CB 3.99Å; A383-I412 HydrophobicContact CB-CD1 4.34Å; A383-I412 HydrophobicContact CB-CG2 3.89Å; A409-I412 PolarHBondContact O-N 3.17Å; A409-I412 VanDerWaalsContact O-N 3.1Å; L410-I412 VanDerWaalsContact C-N 3.27Å; L410-I412 PolarHBondContact O-N 2.92Å; I412-E414 VanDerWaalsContact C-N 3.32Å; I412-E414 PolarHBondContact O-N 3.39Å; I412-V415 PolarHBondContact O-N 3.15Å; I412-V415 VanDerWaalsContact O-N 3.13Å; I412-A416 PolarHBondContact O-N 2.95Å
413M98.8Very high98.3Very high2 Ų244.1 Ų44.11%0.0122%0.218CC..Hα-helixtrans-62.8-36.3-178.9-67.3171.575.300112.5E190 A383 A409 L410 V415 A416 H417 G418 V424 V427E190-M413 HydrophobicContact CB-CE 4.05Å; A383-M413 HydrophobicContact CB-CG 4.13Å; A409-M413 HydrophobicContact CB-SD 4.35Å; A409-M413 VanDerWaalsContact O-CG 3.29Å; A409-M413 WeakPolarHBondContact O-CG 3.25Å; A409-M413 PolarHBondContact O-N 3.42Å; L410-M413 PolarHBondContact O-N 3.4Å; M413-V415 PolarHBondContact O-N 3.44Å; M413-A416 PolarHBondContact O-N 2.82Å; M413-H417 WeakPolarHBondContact O-CA 3.47Å; M413-H417 VanDerWaalsContact O-CB 3.28Å; M413-H417 WeakPolarHBondContact O-CB 3.29Å; M413-H417 PolarHBondContact O-N 2.73Å; M413-G418 PolarHBondContact O-N 3.45Å; M413-V424 HydrophobicContact CB-CG2 3.85Å; M413-V427 HydrophobicContact CE-CG2 4.32Å; M413-V427 HydrophobicContact SD-CG2 4.35Å
414E98.8Very high98.3Very high53 Ų5342.8 Ų42.825%0.24821%0.21CC..Hα-helixtrans-61.3-26.5176.5-79-169.6155.400113.4L410 I412 G418 K419 V424 K428L410-E414 HydrophobicContact CD1-CG 4.31Å; L410-E414 HydrophobicContact CG-CG 4.32Å; L410-E414 WeakPolarHBondContact O-CB 3.4Å; L410-E414 WeakPolarHBondContact O-CG 3.33Å; L410-E414 PolarHBondContact O-N 3.05Å; I412-E414 VanDerWaalsContact C-N 3.32Å; I412-E414 PolarHBondContact O-N 3.39Å; E414-G418 CarbonylContact O-C 3.42Å; E414-G418 VanDerWaalsContact O-CA 3.25Å; E414-G418 WeakPolarHBondContact O-CA 3.22Å; E414-G418 PolarHBondContact O-N 3.08Å; E414-K419 HydrophobicContact CB-CG 4Å; E414-K419 HydrophobicContact CG-CG 4.07Å; E414-K419 PolarHBondContact O-N 3.4Å; E414-V424 HydrophobicContact CG-CG1 3.86Å; E414-K428 WeakPolarHBondContact OE1-CE 3.14Å; E414-K428 IonicContact OE1-NZ 3.19Å; E414-K428 PolarHBondContact OE1-NZ 3.01Å
415V98.8Very high98.3Very high22 Ų2238.3 Ų38.313%0.13320%0.199CC..Hα-helixtrans-84.7-54.3174175.30000110.4V29 R226 V228 Y378 I412 M413V29-V415 HydrophobicContact CG1-CG1 3.74Å; R226-V415 WeakPolarHBondContact CD-O 3.29Å; V228-V415 HydrophobicContact CG1-CG1 4.38Å; Y378-V415 HydrophobicContact CD1-CB 3.88Å; Y378-V415 HydrophobicContact CD1-CG1 3.89Å; Y378-V415 HydrophobicContact CD1-CG2 4.1Å; Y378-V415 HydrophobicContact CD2-CG1 4.31Å; Y378-V415 HydrophobicContact CE1-CB 3.82Å; Y378-V415 HydrophobicContact CE1-CG1 3.94Å; Y378-V415 HydrophobicContact CE1-CG2 3.5Å; Y378-V415 HydrophobicContact CE2-CG1 4.34Å; Y378-V415 HydrophobicContact CG-CG1 4.09Å; I412-V415 PolarHBondContact O-N 3.15Å; I412-V415 VanDerWaalsContact O-N 3.13Å; M413-V415 PolarHBondContact O-N 3.44Å
416A98.6Very high98.2Very high0 Ų040.7 Ų40.70%021%0.209CC..Hα-helixtrans-71.5-41.8-173.400000113.7I215 T217 R226 L380 I412 M413I215-A416 HydrophobicContact CD1-CB 4.39Å; I215-A416 HydrophobicContact CG2-CB 4.18Å; T217-A416 HydrophobicContact CG2-CB 4.22Å; T217-A416 WeakPolarHBondContact CG2-O 3.22Å; T217-A416 PolarHBondContact OG1-O 3.45Å; R226-A416 WeakPolarHBondContact CD-O 3.2Å; L380-A416 HydrophobicContact CD2-CB 3.73Å; I412-A416 PolarHBondContact O-N 2.95Å; M413-A416 PolarHBondContact O-N 2.82Å
417H98.6Very high98.1Very high12 Ų1240.7 Ų40.76%0.05621%0.209CC..THydrogen-bonded Turntrans-96.6-17.9-179.3-64.381.1000113.2R226 M413 H421 V424R226-H417 PolarHBondContact NH1-O 2.68Å; R226-H417 PolarHBondContact NH2-O 2.94Å; R226-H417 VanDerWaalsContact NH2-O 3.1Å; M413-H417 WeakPolarHBondContact O-CA 3.47Å; M413-H417 VanDerWaalsContact O-CB 3.28Å; M413-H417 WeakPolarHBondContact O-CB 3.29Å; M413-H417 PolarHBondContact O-N 2.73Å; H417-H421 HydrophobicContact CB-CB 3.77Å; H417-H421 AromaticContact CD2-CE1 3.87Å; H417-H421 AromaticContact CD2-ND1 3.98Å; H417-H421 WeakPolarHBondContact O-CB 3.23Å; H417-V424 HydrophobicContact CB-CG2 4.31Å
418G98.4Very high98.1Very high5 Ų538.2 Ų38.25%0.05220%0.199CC..  trans86.2149.2-172.200000113.4M413 E414 D420 H421M413-G418 PolarHBondContact O-N 3.45Å; E414-G418 CarbonylContact O-C 3.42Å; E414-G418 VanDerWaalsContact O-CA 3.25Å; E414-G418 WeakPolarHBondContact O-CA 3.22Å; E414-G418 PolarHBondContact O-N 3.08Å; G418-D420 PolarHBondContact O-N 2.76Å; G418-H421 WeakPolarHBondContact O-CB 3.27Å; G418-H421 PolarHBondContact O-N 3.26Å; G418-H421 VanDerWaalsContact O-N 3.15Å
419K97.9Very high98.1Very high149 Ų14941.5 Ų41.565%0.64821%0.209SC*.THydrogen-bonded Turntrans-64.8-21.9-173.4-67.5-178.3179.8176.60114.6E414E414-K419 HydrophobicContact CB-CG 4Å; E414-K419 HydrophobicContact CG-CG 4.07Å; E414-K419 PolarHBondContact O-N 3.4Å
420D96.5Very high98Very high119 Ų11943.7 Ų43.764%0.63622%0.219SC*.THydrogen-bonded Turntrans-94.81.3-17966.3-44.4000113.2K219 G418K219-D420 IonicContact NZ-OD2 2.94Å; G418-D420 PolarHBondContact O-N 2.76Å
421H97.9Very high97.9Very high0 Ų043.5 Ų43.50%022%0.218CC..  trans-65.9145.4179.6-158.2-90.7000112.6Y218 H417 G418 Y423 V424 A425Y218-H421 PolarHBondContact O-NE2 3.14Å; H417-H421 HydrophobicContact CB-CB 3.77Å; H417-H421 AromaticContact CD2-CE1 3.87Å; H417-H421 AromaticContact CD2-ND1 3.98Å; H417-H421 WeakPolarHBondContact O-CB 3.23Å; G418-H421 WeakPolarHBondContact O-CB 3.27Å; G418-H421 PolarHBondContact O-N 3.26Å; G418-H421 VanDerWaalsContact O-N 3.15Å; H421-Y423 AromaticContact CE1-CD2 3.3Å; H421-Y423 WeakPolarHBondContact CE1-CD2 3.35Å; H421-Y423 AromaticContact CE1-CE2 3.88Å; H421-Y423 AromaticContact CE1-CG 3.92Å; H421-Y423 AromaticContact ND1-CD2 3.59Å; H421-Y423 AromaticContact ND1-CG 3.81Å; H421-Y423 PolarHBondContact ND1-N 2.89Å; H421-Y423 PolarHBondContact O-N 2.89Å; H421-V424 HydrophobicContact CB-CB 4.18Å; H421-V424 HydrophobicContact CB-CG2 4.02Å; H421-V424 WeakPolarHBondContact O-CB 3.36Å; H421-V424 PolarHBondContact O-N 3.24Å; H421-V424 VanDerWaalsContact O-N 3.11Å; H421-A425 PolarHBondContact O-N 2.63Å
422H96.2Very high97.8Very high73 Ų7345.4 Ų45.434%0.33822%0.22SC..Hα-helixtrans-63.4-43.5-178.365.6-79.1000112.4V424 A425 E426H422-V424 VanDerWaalsContact C-N 3.3Å; H422-V424 PolarHBondContact O-N 2.93Å; H422-A425 CarbonylContact O-C 3.51Å; H422-A425 WeakPolarHBondContact O-CA 3.21Å; H422-A425 WeakPolarHBondContact O-CB 3.33Å; H422-A425 PolarHBondContact O-N 3.41Å; H422-E426 IonicContact CD2-OE1 2.9Å; H422-E426 WeakPolarHBondContact O-CG 3.28Å; H422-E426 PolarHBondContact O-N 3.49Å
423Y97.8Very high97.6Very high13 Ų1349.9 Ų49.95%0.05124%0.244CC..Hα-helixtrans-58.3-38.2171.5-61.7-42.4000113.6E190 H421 A425 E426 V427E190-Y423 HydrophobicContact CB-CD1 4.03Å; E190-Y423 HydrophobicContact CB-CD2 3.73Å; E190-Y423 HydrophobicContact CB-CE1 4.36Å; E190-Y423 HydrophobicContact CB-CE2 4.11Å; E190-Y423 HydrophobicContact CB-CG 3.71Å; E190-Y423 HydrophobicContact CG-CD1 4.25Å; E190-Y423 HydrophobicContact CG-CG 4.38Å; E190-Y423 WeakPolarHBondContact OE2-CE1 3.06Å; H421-Y423 AromaticContact CE1-CD2 3.3Å; H421-Y423 WeakPolarHBondContact CE1-CD2 3.35Å; H421-Y423 AromaticContact CE1-CE2 3.88Å; H421-Y423 AromaticContact CE1-CG 3.92Å; H421-Y423 AromaticContact ND1-CD2 3.59Å; H421-Y423 AromaticContact ND1-CG 3.81Å; H421-Y423 PolarHBondContact ND1-N 2.89Å; H421-Y423 PolarHBondContact O-N 2.89Å; Y423-A425 VanDerWaalsContact C-N 3.32Å; Y423-A425 PolarHBondContact O-N 2.91Å; Y423-E426 PolarHBondContact O-N 3.25Å; Y423-V427 WeakPolarHBondContact O-CG2 3.43Å; Y423-V427 PolarHBondContact O-N 3.21Å
424V98.4Very high97.2Very high0 Ų052.7 Ų52.70%026%0.257CS..Hα-helixtrans-64.9-39.2175.51680000110.5L410 M413 E414 H417 H421 H422 K428L410-V424 HydrophobicContact CD1-CB 4.34Å; L410-V424 HydrophobicContact CD1-CG1 3.75Å; M413-V424 HydrophobicContact CB-CG2 3.85Å; E414-V424 HydrophobicContact CG-CG1 3.86Å; H417-V424 HydrophobicContact CB-CG2 4.31Å; H421-V424 HydrophobicContact CB-CB 4.18Å; H421-V424 HydrophobicContact CB-CG2 4.02Å; H421-V424 WeakPolarHBondContact O-CB 3.36Å; H421-V424 PolarHBondContact O-N 3.24Å; H421-V424 VanDerWaalsContact O-N 3.11Å; H422-V424 VanDerWaalsContact C-N 3.3Å; H422-V424 PolarHBondContact O-N 2.93Å; V424-K428 HydrophobicContact CG1-CD 4.25Å; V424-K428 WeakPolarHBondContact O-CB 3.31Å; V424-K428 VanDerWaalsContact O-CG 3.27Å; V424-K428 WeakPolarHBondContact O-CG 3.42Å; V424-K428 PolarHBondContact O-N 3.17Å; V424-K428 VanDerWaalsContact O-N 3.08Å
425A97.8Very high96.1Very high48 Ų4860.5 Ų60.540%0.39729%0.29SS..Hα-helixtrans-68.4-37.3175.100000112.8H421 H422 Y423 R429H421-A425 PolarHBondContact O-N 2.63Å; H422-A425 CarbonylContact O-C 3.51Å; H422-A425 WeakPolarHBondContact O-CA 3.21Å; H422-A425 WeakPolarHBondContact O-CB 3.33Å; H422-A425 PolarHBondContact O-N 3.41Å; Y423-A425 VanDerWaalsContact C-N 3.32Å; Y423-A425 PolarHBondContact O-N 2.91Å; A425-R429 PolarHBondContact O-N 3.31Å; A425-R429 VanDerWaalsContact O-N 3.08Å
426E96.8Very high96Very high59 Ų5962.5 Ų62.528%0.27630%0.298SS..Hα-helixtrans-62.8-52.6174.6-74.8172.2-158.700111R58 H422 Y423 K428 R429 E430R58-E426 IonicContact NH2-OE2 3.38Å; R58-E426 PolarHBondContact NH2-OE2 2.87Å; H422-E426 IonicContact CD2-OE1 2.9Å; H422-E426 WeakPolarHBondContact O-CG 3.28Å; H422-E426 PolarHBondContact O-N 3.49Å; Y423-E426 PolarHBondContact O-N 3.25Å; E426-K428 VanDerWaalsContact C-N 3.29Å; E426-K428 PolarHBondContact O-N 3.18Å; E426-R429 WeakPolarHBondContact O-CA 3.47Å; E426-R429 VanDerWaalsContact O-CB 3.29Å; E426-R429 WeakPolarHBondContact O-CB 3.41Å; E426-R429 PolarHBondContact O-N 3.23Å; E426-E430 PolarHBondContact O-N 3.27Å
427V98Very high95.8Very high0 Ų065.7 Ų65.70%031%0.314CS..Hα-helixtrans-61.4-37.5178.4175.60000111.9L387 L406 L410 M413 Y423 R429 E430 I431L387-V427 HydrophobicContact CD1-CG2 3.67Å; L406-V427 HydrophobicContact CB-CG1 4.21Å; L406-V427 HydrophobicContact CD2-CG1 4.44Å; L410-V427 HydrophobicContact CB-CG1 4.27Å; L410-V427 HydrophobicContact CD1-CB 4.3Å; L410-V427 HydrophobicContact CD1-CG1 4.2Å; M413-V427 HydrophobicContact CE-CG2 4.32Å; M413-V427 HydrophobicContact SD-CG2 4.35Å; Y423-V427 WeakPolarHBondContact O-CG2 3.43Å; Y423-V427 PolarHBondContact O-N 3.21Å; V427-R429 VanDerWaalsContact C-N 3.3Å; V427-R429 PolarHBondContact O-N 3.35Å; V427-E430 PolarHBondContact O-N 3.35Å; V427-I431 HydrophobicContact CG1-CD1 4.11Å; V427-I431 WeakPolarHBondContact O-CG1 3.3Å; V427-I431 PolarHBondContact O-N 2.89Å
428K98.1Very high95.7Very high69 Ų6968.7 Ų68.730%0.333%0.328SS..Hα-helixtrans-60.1-40.9172.8-80.4171.1-179.5170.60111.9L410 E414 V424 E426 I431 L432L410-K428 HydrophobicContact CD1-CG 4.05Å; L410-K428 HydrophobicContact CD2-CG 3.72Å; E414-K428 WeakPolarHBondContact OE1-CE 3.14Å; E414-K428 IonicContact OE1-NZ 3.19Å; E414-K428 PolarHBondContact OE1-NZ 3.01Å; V424-K428 HydrophobicContact CG1-CD 4.25Å; V424-K428 WeakPolarHBondContact O-CB 3.31Å; V424-K428 VanDerWaalsContact O-CG 3.27Å; V424-K428 WeakPolarHBondContact O-CG 3.42Å; V424-K428 PolarHBondContact O-N 3.17Å; V424-K428 VanDerWaalsContact O-N 3.08Å; E426-K428 VanDerWaalsContact C-N 3.29Å; E426-K428 PolarHBondContact O-N 3.18Å; K428-I431 PolarHBondContact O-N 3.31Å; K428-L432 VanDerWaalsContact O-CG 3.26Å; K428-L432 WeakPolarHBondContact O-CG 3.39Å; K428-L432 PolarHBondContact O-N 3.42Å
429R97.5Very high95.5Very high154 Ų15472.5 Ų72.558%0.58134%0.344SS*.Hα-helixtrans-66.6-47.8177-164.6-174.7-47.11779.6111.1A425 E426 V427 I431 L432 D433A425-R429 PolarHBondContact O-N 3.31Å; A425-R429 VanDerWaalsContact O-N 3.08Å; E426-R429 WeakPolarHBondContact O-CA 3.47Å; E426-R429 VanDerWaalsContact O-CB 3.29Å; E426-R429 WeakPolarHBondContact O-CB 3.41Å; E426-R429 PolarHBondContact O-N 3.23Å; V427-R429 VanDerWaalsContact C-N 3.3Å; V427-R429 PolarHBondContact O-N 3.35Å; R429-I431 PolarHBondContact O-N 2.96Å; R429-L432 PolarHBondContact O-N 3.09Å; R429-D433 VanDerWaalsContact O-CG 3.27Å; R429-D433 PolarHBondContact O-N 3.23Å
430E96.9Very high95.4Very high46 Ų4667.7 Ų67.722%0.21533%0.325CS..Hα-helixtrans-51.8-42.9175.2-70177.8-146.900111.3R391 L406 E426 V427 Q434R391-E430 IonicContact CZ-OE1 3.71Å; R391-E430 IonicContact NE-OE1 3.03Å; R391-E430 PolarHBondContact NE-OE1 3.01Å; R391-E430 IonicContact NE-OE2 2.87Å; R391-E430 PolarHBondContact NE-OE2 3.07Å; R391-E430 IonicContact NH2-OE1 2.81Å; R391-E430 PolarHBondContact NH2-OE1 3.47Å; L406-E430 HydrophobicContact CD1-CB 4.12Å; E426-E430 PolarHBondContact O-N 3.27Å; V427-E430 PolarHBondContact O-N 3.35Å; E430-Q434 WeakPolarHBondContact O-CG 3.44Å
431I97.4Very high95.3Very high15 Ų1564.3 Ų64.38%0.07731%0.305CS..Hα-helixtrans-68-39.8176.5-68.3163.8000112.6V403 L406 K407 L410 V427 K428 R429 D433 Q434V403-I431 HydrophobicContact CG1-CG2 4.08Å; L406-I431 HydrophobicContact CB-CD1 3.82Å; L406-I431 HydrophobicContact CB-CG1 3.69Å; L406-I431 HydrophobicContact CD1-CG1 3.93Å; L406-I431 HydrophobicContact CG-CG1 4.49Å; K407-I431 HydrophobicContact CG-CD1 3.97Å; L410-I431 HydrophobicContact CD2-CD1 4.11Å; V427-I431 HydrophobicContact CG1-CD1 4.11Å; V427-I431 WeakPolarHBondContact O-CG1 3.3Å; V427-I431 PolarHBondContact O-N 2.89Å; K428-I431 PolarHBondContact O-N 3.31Å; R429-I431 PolarHBondContact O-N 2.96Å; I431-D433 VanDerWaalsContact C-N 3.35Å; I431-Q434 PolarHBondContact O-N 3.04Å
432L95.6Very high95.1Very high97 Ų9768.9 Ų68.951%0.50833%0.326SS..Hα-helixtrans-68.4-36.1-178.9-74.5170.7000111.8K428 R429 Q434 K435K428-L432 VanDerWaalsContact O-CG 3.26Å; K428-L432 WeakPolarHBondContact O-CG 3.39Å; K428-L432 PolarHBondContact O-N 3.42Å; R429-L432 PolarHBondContact O-N 3.09Å; L432-Q434 PolarHBondContact O-N 3.34Å; L432-K435 HydrophobicContact CD2-CD 4.27Å; L432-K435 WeakPolarHBondContact O-CB 3.45Å; L432-K435 PolarHBondContact O-N 2.67Å; L432-K435 VanDerWaalsContact O-N 3.12Å
433D94.3Very high95Very high112 Ų11268.5 Ų68.560%0.59933%0.325SS*.THydrogen-bonded Turntrans-68.7-10.1179.3-63.8-18.1000113R429 I431R429-D433 VanDerWaalsContact O-CG 3.27Å; R429-D433 PolarHBondContact O-N 3.23Å; I431-D433 VanDerWaalsContact C-N 3.35Å
434Q90.8Very high94.8Very high60 Ų6073.2 Ų73.228%0.2835%0.348SS..THydrogen-bonded Turntrans-93.3-3.7174.5-53.7-49.8-51.600114.2L394 V403 E430 I431 L432L394-Q434 HydrophobicContact CD1-CG 4.01Å; L394-Q434 HydrophobicContact CD2-CG 3.75Å; V403-Q434 HydrophobicContact CG2-CB 3.73Å; V403-Q434 HydrophobicContact CG2-CG 3.97Å; E430-Q434 WeakPolarHBondContact O-CG 3.44Å; I431-Q434 PolarHBondContact O-N 3.04Å; L432-Q434 PolarHBondContact O-N 3.34Å
435K76.2Confident94.5Very high218 Ų21879.8 Ų79.895%0.94838%0.38SS*.  trans-84.60173.1-66.7-178.8178.7176.60110.1L432L432-K435 HydrophobicContact CD2-CD 4.27Å; L432-K435 WeakPolarHBondContact O-CB 3.45Å; L432-K435 PolarHBondContact O-N 2.67Å; L432-K435 VanDerWaalsContact O-N 3.12Å

Retrieved 435 of 435 residues in 138.7 ms (Link to these results)

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