A0A077YWC1_TRITR Loading...

Zf-MYND domain containing protein

AlphaFold DB , UniProt , Accession A0A077YWC1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 479 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
1M37Very low65.7Low231 Ų231106.5 Ų106.5100%1.13858%0.576SS**  0112.20-78.1170.482.700107.5L3M1-L3 PolarHBondContact O-N 3.18Å; M1-L3 VanDerWaalsContact O-N 3.12Å
2S36.4Very low68.3Low121 Ų12198.3 Ų98.385%0.84653%0.531SS*.  trans-65.5108.6162.753.80000106.3D4S2-D4 PolarHBondContact O-N 2.85Å
3L42.7Very low70.3Confident139 Ų13995.5 Ų95.573%0.72852%0.516SS*.  trans-64.1100161.6-79.6151000104.7M1 L5M1-L3 PolarHBondContact O-N 3.18Å; M1-L3 VanDerWaalsContact O-N 3.12Å; L3-L5 HydrophobicContact CB-CD2 4.31Å; L3-L5 HydrophobicContact CB-CG 4.18Å; L3-L5 PolarHBondContact O-N 2.79Å
4D46Very low72Confident103 Ų10399.6 Ų99.655%0.55153%0.529SS*.  trans-61.296.8161.6-178.57.3000105.8S2 S6 Q8S2-D4 PolarHBondContact O-N 2.85Å; D4-S6 VanDerWaalsContact CG-OG 3.24Å; D4-S6 PolarHBondContact O-N 3.22Å; D4-S6 WeakPolarHBondContact OD1-CB 3.41Å; D4-S6 PolarHBondContact OD1-N 2.73Å; D4-S6 PolarHBondContact OD1-OG 3.24Å; D4-S6 PolarHBondContact OD2-OG 2.63Å; D4-Q8 PolarHBondContact OD2-NE2 2.8Å
5L51.2Low73.7Confident144 Ų14493.6 Ų93.675%0.75450%0.498SS*.  trans-79.51.9179.1-71.9167.5000111.1L3 I7L3-L5 HydrophobicContact CB-CD2 4.31Å; L3-L5 HydrophobicContact CB-CG 4.18Å; L3-L5 PolarHBondContact O-N 2.79Å; L5-I7 PolarHBondContact O-N 2.98Å; L5-I7 VanDerWaalsContact O-N 3.15Å
6S64.6Low75.3Confident68 Ų6888 Ų8848%0.47647%0.468SS..  trans-67116.2174.871.80000109.1D4 Q8D4-S6 VanDerWaalsContact CG-OG 3.24Å; D4-S6 PolarHBondContact O-N 3.22Å; D4-S6 WeakPolarHBondContact OD1-CB 3.41Å; D4-S6 PolarHBondContact OD1-N 2.73Å; D4-S6 PolarHBondContact OD1-OG 3.24Å; D4-S6 PolarHBondContact OD2-OG 2.63Å; S6-Q8 PolarHBondContact O-N 3.31Å; S6-Q8 VanDerWaalsContact O-N 3.07Å
7I72.8Confident76.6Confident96 Ų9683.2 Ų83.249%0.49244%0.443SS..  trans-65.1110.8168.9-60.2177.8000106.3L5 V9 P210L5-I7 PolarHBondContact O-N 2.98Å; L5-I7 VanDerWaalsContact O-N 3.15Å; I7-V9 VanDerWaalsContact C-N 3.34Å; I7-V9 HydrophobicContact CG2-CG2 3.75Å; I7-V9 PolarHBondContact O-N 2.97Å; I7-P210 HydrophobicContact CG2-CG 3.63Å
8Q86.3Confident77.8Confident71 Ų7178.9 Ų78.933%0.33242%0.42SS..  trans-80.982.3-178.3-68.9-179.2-600109.9D4 S6 D216 A217D4-Q8 PolarHBondContact OD2-NE2 2.8Å; S6-Q8 PolarHBondContact O-N 3.31Å; S6-Q8 VanDerWaalsContact O-N 3.07Å; Q8-D216 HydrophobicContact CB-CB 4.43Å; Q8-D216 VanDerWaalsContact OE1-CA 3.32Å; Q8-A217 WeakPolarHBondContact O-CB 3.4Å; Q8-A217 PolarHBondContact O-N 3.42Å
9V93.4Very high78.9Confident48 Ų4874.8 Ų74.829%0.29140%0.398SS..  trans-81.8140.9174.6175.90000109.9I7 I11 I207 L208 R209I7-V9 VanDerWaalsContact C-N 3.34Å; I7-V9 HydrophobicContact CG2-CG2 3.75Å; I7-V9 PolarHBondContact O-N 2.97Å; V9-I11 HydrophobicContact CG1-CG1 4.17Å; V9-I207 HydrophobicContact CG1-CG2 3.51Å; V9-L208 WeakPolarHBondContact CA-O 3.35Å; V9-L208 WeakPolarHBondContact CG1-O 3.36Å; V9-R209 HydrophobicContact CG1-CG 4.27Å; V9-R209 HydrophobicContact CG2-CG 4.18Å
10K96Very high79.8Confident58 Ų5871.2 Ų71.225%0.25238%0.379SS..EExtended strand (participates in β ladder)trans-113.2129169.617569178.3-174.30109.9F12 E112 L208 A217K10-F12 HydrophobicContact CB-CE2 4.48Å; K10-F12 HydrophobicContact CD-CE1 4.38Å; K10-F12 HydrophobicContact CD-CE2 4.38Å; K10-F12 HydrophobicContact CD-CZ 4.07Å; K10-F12 HydrophobicContact CG-CD2 4.1Å; K10-F12 HydrophobicContact CG-CE1 4.27Å; K10-F12 HydrophobicContact CG-CE2 3.43Å; K10-F12 VanDerWaalsContact CG-CE2 3.43Å; K10-F12 HydrophobicContact CG-CZ 3.52Å; K10-E112 IonicContact NZ-OE1 3.22Å; K10-E112 PolarHBondContact NZ-OE1 3.29Å; K10-L208 HydrophobicContact CB-CB 4.31Å; K10-L208 PolarHBondContact N-O 3.23Å; K10-L208 PolarHBondContact O-N 2.74Å; K10-A217 HydrophobicContact CB-CB 4.43Å
11I96.2Very high80.7Confident93 Ų9368.6 Ų68.648%0.47736%0.364SS..EExtended strand (participates in β ladder)trans-108.8131.3177.2-57.5174.8000108.4V9 D13 I207V9-I11 HydrophobicContact CG1-CG1 4.17Å; I11-D13 HydrophobicContact CG2-CB 4.24Å; I11-I207 HydrophobicContact CG1-CG1 4.44Å; I11-I207 HydrophobicContact CG1-CG2 4.3Å
12F96.7Very high83.5Confident8 Ų859 Ų594%0.03532%0.318CS..EExtended strand (participates in β ladder)trans-114.1104.8168.1-62.1-80.4000108.2K10 E112 D183 G185 I186 Y189 K205 A206 L208K10-F12 HydrophobicContact CB-CE2 4.48Å; K10-F12 HydrophobicContact CD-CE1 4.38Å; K10-F12 HydrophobicContact CD-CE2 4.38Å; K10-F12 HydrophobicContact CD-CZ 4.07Å; K10-F12 HydrophobicContact CG-CD2 4.1Å; K10-F12 HydrophobicContact CG-CE1 4.27Å; K10-F12 HydrophobicContact CG-CE2 3.43Å; K10-F12 VanDerWaalsContact CG-CE2 3.43Å; K10-F12 HydrophobicContact CG-CZ 3.52Å; F12-E112 HydrophobicContact CE1-CG 4.35Å; F12-D183 WeakPolarHBondContact CB-OD2 3.44Å; F12-G185 VanDerWaalsContact CE1-CA 3.46Å; F12-I186 HydrophobicContact CB-CD1 4.35Å; F12-I186 HydrophobicContact CB-CG1 4.27Å; F12-I186 HydrophobicContact CD2-CD1 4.28Å; F12-I186 HydrophobicContact CD2-CG1 3.55Å; F12-I186 HydrophobicContact CE2-CG1 3.99Å; F12-I186 HydrophobicContact CG-CD1 4.5Å; F12-I186 HydrophobicContact CG-CG1 3.91Å; F12-Y189 AromaticContact CE2-CE2 3.8Å; F12-Y189 HydrophobicContact CE2-CE2 3.8Å; F12-Y189 AromaticContact CZ-CE2 3.61Å; F12-Y189 HydrophobicContact CZ-CE2 3.61Å; F12-K205 CarbonylContact O-C 3.51Å; F12-K205 WeakPolarHBondContact O-CA 3.41Å; F12-A206 HydrophobicContact CB-CB 4.42Å; F12-A206 PolarHBondContact N-O 3.08Å; F12-A206 PolarHBondContact O-N 3.12Å; F12-L208 HydrophobicContact CD2-CG 4.37Å; F12-L208 HydrophobicContact CE2-CD1 3.79Å; F12-L208 HydrophobicContact CE2-CG 4.1Å
13D95.1Very high86.3Confident62 Ų6259.5 Ų59.533%0.33231%0.307SS..  trans-113.411.1-17664.1-16.6000113.5I11 F204 K205I11-D13 HydrophobicContact CG2-CB 4.24Å; D13-F204 WeakPolarHBondContact O-CE2 3.38Å; D13-K205 HydrophobicContact CB-CB 4.34Å; D13-K205 HydrophobicContact CB-CD 3.75Å; D13-K205 HydrophobicContact CB-CG 3.79Å
14H94.2Very high88.8Confident152 Ų15253.7 Ų53.770%0.70428%0.276SS*.  trans-138.566.3177.6-65-65.5000110.4
15P97.3Very high91.1Very high10 Ų1049 Ų497%0.06525%0.251CS..  trans-56.7145.5171.126-35000109.8V17 Y18 A181 D183 F204P15-V17 VanDerWaalsContact C-N 3.3Å; P15-V17 PolarHBondContact O-N 3.02Å; P15-Y18 HydrophobicContact CG-CD1 3.64Å; P15-Y18 HydrophobicContact CG-CE1 4.44Å; P15-Y18 HydrophobicContact CG-CG 4.2Å; P15-A181 HydrophobicContact CB-CB 4.17Å; P15-D183 WeakPolarHBondContact CA-OD2 3.49Å; P15-D183 HydrophobicContact CB-CB 4.09Å; P15-F204 HydrophobicContact CG-CD2 3.89Å
16F98.2Very high93.2Very high4 Ų448.5 Ų48.52%0.01825%0.245CC..SBendtrans-59.3-46.3179.7-177-100.9000110.5I93 K96 L97 I100 W109 E110 F115 L182 L184F16-I93 HydrophobicContact CE1-CG2 4.27Å; F16-K96 HydrophobicContact CD1-CD 4Å; F16-K96 HydrophobicContact CD2-CD 3.57Å; F16-K96 HydrophobicContact CD2-CG 4.42Å; F16-K96 HydrophobicContact CE1-CB 4.24Å; F16-K96 HydrophobicContact CE1-CD 3.79Å; F16-K96 HydrophobicContact CE1-CG 4.03Å; F16-K96 HydrophobicContact CE2-CD 3.36Å; F16-K96 HydrophobicContact CE2-CG 3.72Å; F16-K96 HydrophobicContact CG-CD 3.9Å; F16-K96 HydrophobicContact CZ-CB 4.07Å; F16-K96 HydrophobicContact CZ-CD 3.48Å; F16-K96 VanDerWaalsContact CZ-CD 3.48Å; F16-K96 HydrophobicContact CZ-CG 3.48Å; F16-K96 VanDerWaalsContact CZ-CG 3.48Å; F16-K96 VanDerWaalsContact O-CD 3.3Å; F16-K96 WeakPolarHBondContact O-CD 3.36Å; F16-K96 WeakPolarHBondContact O-CE 3.45Å; F16-K96 PolarHBondContact O-NZ 3.12Å; F16-L97 HydrophobicContact CE1-CD2 4.46Å; F16-L97 HydrophobicContact CZ-CD2 3.89Å; F16-L97 HydrophobicContact CZ-CG 4.28Å; F16-I100 HydrophobicContact CE2-CD1 3.85Å; F16-I100 HydrophobicContact CZ-CD1 4.15Å; F16-W109 HydrophobicContact CD2-CB 3.95Å; F16-W109 HydrophobicContact CE2-CB 4.06Å; F16-E110 HydrophobicContact CE2-CG 4.24Å; F16-F115 HydrophobicContact CD1-CD2 4.35Å; F16-F115 AromaticContact CE1-CD2 3.94Å; F16-F115 HydrophobicContact CE1-CD2 3.94Å; F16-F115 HydrophobicContact CE1-CE2 4.5Å; F16-F115 HydrophobicContact CZ-CB 4.46Å; F16-F115 HydrophobicContact CZ-CD2 4.38Å; F16-L182 WeakPolarHBondContact CA-O 3.27Å; F16-L182 VanDerWaalsContact CB-O 3.32Å; F16-L182 WeakPolarHBondContact CB-O 3.39Å; F16-L182 HydrophobicContact CD1-CD2 4.1Å; F16-L182 PolarHBondContact N-O 3.43Å; F16-L184 HydrophobicContact CB-CD1 3.99Å; F16-L184 HydrophobicContact CB-CG 3.85Å; F16-L184 HydrophobicContact CD2-CD1 3.48Å; F16-L184 VanDerWaalsContact CD2-CD1 3.48Å; F16-L184 HydrophobicContact CD2-CG 4.27Å; F16-L184 HydrophobicContact CE2-CD1 4.12Å; F16-L184 HydrophobicContact CG-CD1 3.91Å; F16-L184 HydrophobicContact CG-CG 4.2Å
17V98.3Very high94.6Very high7 Ų750.3 Ų50.34%0.04225%0.246CC..EExtended strand (participates in β ladder)trans-141.9145.2168.3173.10000108.8P15 F89 R92 I93 A181 L182P15-V17 VanDerWaalsContact C-N 3.3Å; P15-V17 PolarHBondContact O-N 3.02Å; V17-F89 HydrophobicContact CB-CE2 4.16Å; V17-F89 HydrophobicContact CB-CZ 4.47Å; V17-F89 HydrophobicContact CG1-CD2 3.67Å; V17-F89 HydrophobicContact CG1-CE2 3.58Å; V17-F89 HydrophobicContact CG1-CG 4.43Å; V17-F89 HydrophobicContact CG1-CZ 4.26Å; V17-R92 HydrophobicContact CG1-CB 3.52Å; V17-R92 HydrophobicContact CG1-CG 4.38Å; V17-R92 HydrophobicContact CG2-CB 4.08Å; V17-I93 HydrophobicContact CB-CG1 4Å; V17-I93 HydrophobicContact CG1-CG1 4.28Å; V17-I93 HydrophobicContact CG2-CB 4.44Å; V17-I93 HydrophobicContact CG2-CG1 3.7Å; V17-A181 CarbonylContact O-C 3.58Å; V17-A181 VanDerWaalsContact O-CA 3.26Å; V17-A181 WeakPolarHBondContact O-CA 3.33Å; V17-L182 PolarHBondContact N-O 2.71Å; V17-L182 VanDerWaalsContact N-O 3.15Å; V17-L182 PolarHBondContact O-N 3.4Å
18Y98.4Very high95.7Very high6 Ų646.3 Ų46.32%0.02422%0.224CC..EExtended strand (participates in β ladder)trans-139.4160.9165.766.1-80.6000109.4P15 Y31 L33 D66 H67 R92 M180 F204P15-Y18 HydrophobicContact CG-CD1 3.64Å; P15-Y18 HydrophobicContact CG-CE1 4.44Å; P15-Y18 HydrophobicContact CG-CG 4.2Å; Y18-Y31 WeakPolarHBondContact CE2-O 3.29Å; Y18-Y31 WeakPolarHBondContact OH-CD2 3.42Å; Y18-Y31 WeakPolarHBondContact OH-CE2 3.31Å; Y18-Y31 PolarHBondContact OH-O 3.38Å; Y18-L33 HydrophobicContact CD2-CD1 3.91Å; Y18-L33 HydrophobicContact CD2-CD2 4.25Å; Y18-L33 HydrophobicContact CD2-CG 4.06Å; Y18-L33 HydrophobicContact CE2-CD2 4.48Å; Y18-L33 HydrophobicContact CE2-CG 4.36Å; Y18-D66 WeakPolarHBondContact CE1-OD2 3.4Å; Y18-D66 PolarHBondContact OH-OD2 3.18Å; Y18-H67 AromaticContact CZ-CE1 3.78Å; Y18-H67 PolarHBondContact OH-CE1 3.31Å; Y18-R92 PolarHBondContact O-NH1 3.18Å; Y18-M180 CarbonylContact C-O 3.58Å; Y18-M180 VanDerWaalsContact CA-O 3.23Å; Y18-M180 WeakPolarHBondContact CA-O 3.38Å; Y18-F204 HydrophobicContact CD1-CB 4.41Å; Y18-F204 HydrophobicContact CD1-CD2 4.49Å; Y18-F204 HydrophobicContact CD1-CG 4.39Å; Y18-F204 HydrophobicContact CD2-CB 3.82Å; Y18-F204 HydrophobicContact CD2-CD1 4.47Å; Y18-F204 HydrophobicContact CD2-CG 4.27Å; Y18-F204 HydrophobicContact CE1-CD1 4.41Å; Y18-F204 HydrophobicContact CE1-CD2 4.36Å; Y18-F204 HydrophobicContact CE1-CG 4.25Å; Y18-F204 HydrophobicContact CE2-CB 4.15Å; Y18-F204 AromaticContact CE2-CD1 3.93Å; Y18-F204 HydrophobicContact CE2-CD1 3.93Å; Y18-F204 HydrophobicContact CE2-CG 4.14Å; Y18-F204 HydrophobicContact CG-CB 3.95Å; Y18-F204 HydrophobicContact CG-CG 4.37Å; Y18-F204 AromaticContact CZ-CD1 3.87Å
19I98Very high96.2Very high0 Ų042.9 Ų42.90%021%0.209CC..EExtended strand (participates in β ladder)trans-150.5151.8174.7-160.7167.2000111.4T85 L88 F89 G179 M180I19-T85 HydrophobicContact CG2-CG2 3.7Å; I19-L88 HydrophobicContact CD1-CB 3.27Å; I19-L88 HydrophobicContact CD1-CD1 4.2Å; I19-L88 HydrophobicContact CD1-CG 4.37Å; I19-F89 HydrophobicContact CB-CD2 4Å; I19-F89 HydrophobicContact CG2-CB 4.03Å; I19-F89 HydrophobicContact CG2-CD2 3.56Å; I19-F89 HydrophobicContact CG2-CE2 4.45Å; I19-F89 HydrophobicContact CG2-CG 4.2Å; I19-G179 CarbonylContact O-C 3.51Å; I19-G179 WeakPolarHBondContact O-CA 3.18Å; I19-M180 HydrophobicContact CG2-CG 3.59Å; I19-M180 HydrophobicContact CG2-SD 4.36Å; I19-M180 PolarHBondContact N-O 3.36Å; I19-M180 PolarHBondContact O-N 2.97Å
20L98.1Very high96.4Very high3 Ų340.6 Ų40.62%0.01620%0.195CC..EExtended strand (participates in β ladder)trans-80.1137.7167.7-173.371.4000110.2Q24 V25 Y28 A30 L33 V178L20-Q24 HydrophobicContact CD1-CB 4.06Å; L20-Q24 HydrophobicContact CG-CB 4.25Å; L20-V25 HydrophobicContact CD2-CB 4.36Å; L20-V25 HydrophobicContact CD2-CG2 4.39Å; L20-Y28 HydrophobicContact CD1-CG 4.37Å; L20-Y28 VanDerWaalsContact CD2-O 3.29Å; L20-Y28 WeakPolarHBondContact CD2-O 3.05Å; L20-A30 HydrophobicContact CD2-CB 4.44Å; L20-L33 HydrophobicContact CB-CD2 3.68Å; L20-L33 HydrophobicContact CD1-CD2 3.79Å; L20-L33 HydrophobicContact CG-CD2 4.34Å; L20-V178 HydrophobicContact CD1-CB 4.48Å; L20-V178 WeakPolarHBondContact CD1-O 3.29Å
21L97.8Very high96.5Very high16 Ų1640.5 Ų40.58%0.08419%0.193CC..  trans-63.8138173.9-58.4-178.5000110.5H23 Q24 T85 E177 V178L21-H23 VanDerWaalsContact C-N 3.27Å; L21-H23 PolarHBondContact O-N 3.18Å; L21-H23 VanDerWaalsContact O-N 3.17Å; L21-Q24 HydrophobicContact CB-CB 4.29Å; L21-Q24 HydrophobicContact CB-CG 3.9Å; L21-Q24 HydrophobicContact CD1-CG 4.48Å; L21-Q24 WeakPolarHBondContact O-CB 3.28Å; L21-Q24 PolarHBondContact O-N 3.25Å; L21-T85 HydrophobicContact CD2-CG2 3.86Å; L21-E177 HydrophobicContact CD1-CB 4.33Å; L21-E177 HydrophobicContact CD1-CG 3.88Å; L21-V178 PolarHBondContact N-O 2.85Å
22N95.7Very high96.5Very high30 Ų3036.6 Ų36.616%0.1617%0.174CC..G310 helixtrans-53.2-41.6-176.8-74.8-1.5000113.4Q24 V25 W51 P83 T85N22-Q24 PolarHBondContact O-N 2.81Å; N22-V25 WeakPolarHBondContact O-CG1 3.38Å; N22-V25 PolarHBondContact O-N 3.43Å; N22-W51 HydrophobicContact CB-CZ2 4.11Å; N22-W51 WeakPolarHBondContact O-CZ2 3.42Å; N22-P83 PolarHBondContact ND2-O 3.21Å; N22-T85 PolarHBondContact N-OG1 3.3Å; N22-T85 PolarHBondContact ND2-N 3.2Å
23H94.5Very high96.5Very high132 Ų13236.4 Ų36.461%0.61117%0.173SC*.G310 helixtrans-73.5-7.1-179.468.4-92.3000113.8L21L21-H23 VanDerWaalsContact C-N 3.27Å; L21-H23 PolarHBondContact O-N 3.18Å; L21-H23 VanDerWaalsContact O-N 3.17Å
24Q96.1Very high96.5Very high17 Ų1734.2 Ų34.28%0.07916%0.161CC..G310 helixtrans-101.3-2.2-179.9-62-65.3-10.300112.8L20 L21 N22 E26 Q27 Y28 E177L20-Q24 HydrophobicContact CD1-CB 4.06Å; L20-Q24 HydrophobicContact CG-CB 4.25Å; L21-Q24 HydrophobicContact CB-CB 4.29Å; L21-Q24 HydrophobicContact CB-CG 3.9Å; L21-Q24 HydrophobicContact CD1-CG 4.48Å; L21-Q24 WeakPolarHBondContact O-CB 3.28Å; L21-Q24 PolarHBondContact O-N 3.25Å; N22-Q24 PolarHBondContact O-N 2.81Å; Q24-E26 PolarHBondContact O-N 3.35Å; Q24-E26 VanDerWaalsContact O-N 3.14Å; Q24-Q27 PolarHBondContact O-N 3.39Å; Q24-Q27 VanDerWaalsContact O-N 3.09Å; Q24-Y28 HydrophobicContact CB-CD2 3.93Å; Q24-Y28 PolarHBondContact O-N 3.23Å; Q24-E177 PolarHBondContact NE2-O 2.8Å
25V95.3Very high96.4Very high5 Ų531.3 Ų31.33%0.0315%0.148CC..THydrogen-bonded Turntrans-59.5-29-171.177.90000114.7L20 N22 W51 Y52 R53L20-V25 HydrophobicContact CD2-CB 4.36Å; L20-V25 HydrophobicContact CD2-CG2 4.39Å; N22-V25 WeakPolarHBondContact O-CG1 3.38Å; N22-V25 PolarHBondContact O-N 3.43Å; V25-W51 HydrophobicContact CB-CZ2 4.03Å; V25-W51 HydrophobicContact CG1-CD2 4.33Å; V25-W51 HydrophobicContact CG1-CE3 4.3Å; V25-W51 HydrophobicContact CG1-CH2 3.64Å; V25-W51 HydrophobicContact CG1-CZ2 3.63Å; V25-W51 HydrophobicContact CG1-CZ3 3.98Å; V25-W51 HydrophobicContact CG2-CD2 4.22Å; V25-W51 HydrophobicContact CG2-CG 4.49Å; V25-W51 HydrophobicContact CG2-CZ2 4.38Å; V25-W51 WeakPolarHBondContact CG2-O 3.21Å; V25-Y52 HydrophobicContact CG2-CD1 4.28Å; V25-R53 HydrophobicContact CG2-CG 4.43Å; V25-R53 VanDerWaalsContact O-CD 3.27Å; V25-R53 WeakPolarHBondContact O-CD 3.39Å; V25-R53 WeakPolarHBondContact O-CG 3.46Å
26E94.4Very high96.1Very high133 Ų13332.6 Ų32.662%0.62116%0.156SC*.THydrogen-bonded Turntrans-79.1-26.1-178.6-57.8-156.5137.200113.1Q24 R53Q24-E26 PolarHBondContact O-N 3.35Å; Q24-E26 VanDerWaalsContact O-N 3.14Å; E26-R53 IonicContact OE1-NH2 3.3Å; E26-R53 PolarHBondContact OE1-NH2 3.18Å
27Q94Very high95.6Very high105 Ų10537.6 Ų37.649%0.49118%0.175SC..THydrogen-bonded Turntrans-101.3-31-169.6-63.9163.333.700111.6Q24Q24-Q27 PolarHBondContact O-N 3.39Å; Q24-Q27 VanDerWaalsContact O-N 3.09Å
28Y96.1Very high95Very high12 Ų1242.6 Ų42.65%0.04720%0.201CC..SBendtrans-123.6145.7-172.2-61.5-89.7000112.7L20 Q24 A30 E35 L43 T172 V178L20-Y28 HydrophobicContact CD1-CG 4.37Å; L20-Y28 VanDerWaalsContact CD2-O 3.29Å; L20-Y28 WeakPolarHBondContact CD2-O 3.05Å; Q24-Y28 HydrophobicContact CB-CD2 3.93Å; Q24-Y28 PolarHBondContact O-N 3.23Å; Y28-A30 PolarHBondContact O-N 3.32Å; Y28-E35 HydrophobicContact CD1-CG 4.11Å; Y28-E35 HydrophobicContact CE1-CG 3.69Å; Y28-L43 WeakPolarHBondContact O-CD1 3.25Å; Y28-T172 HydrophobicContact CE1-CG2 3.71Å; Y28-V178 HydrophobicContact CD1-CB 4.43Å; Y28-V178 HydrophobicContact CD1-CG1 3.79Å; Y28-V178 HydrophobicContact CD2-CG1 4Å; Y28-V178 HydrophobicContact CE1-CG1 3.51Å; Y28-V178 HydrophobicContact CE2-CG1 3.76Å; Y28-V178 HydrophobicContact CG-CB 4.44Å; Y28-V178 HydrophobicContact CG-CG1 4.03Å; Y28-V178 VanDerWaalsContact CZ-CG1 3.49Å
29C97.4Very high94.2Very high0 Ų052 Ų520%024%0.242CC..  trans-67.7127.4175.5175.60000111.1Y31 C32 L33 Q34 L43 R53 C55C29-Y31 PolarHBondContact O-N 2.75Å; C29-Y31 VanDerWaalsContact O-N 3.14Å; C29-C32 VanDerWaalsContact CB-SG 3.54Å; C29-C32 VanDerWaalsContact SG-SG 3.63Å; C29-L33 VanDerWaalsContact O-CA 3.25Å; C29-L33 WeakPolarHBondContact O-CA 3.31Å; C29-L33 PolarHBondContact O-N 3.46Å; C29-Q34 WeakPolarHBondContact CB-O 3.42Å; C29-Q34 PolarHBondContact N-O 2.81Å; C29-L43 HydrophobicContact CB-CD2 4.34Å; C29-R53 CarbonylContact C-O 3.56Å; C29-R53 WeakPolarHBondContact CA-O 3.46Å; C29-C55 WeakPolarHBondContact CB-SG 3.49Å; C29-C55 PolarHBondContact SG-N 2.67Å
30A97.5Very high93.6Very high0 Ų056 Ų560%028%0.283CS..THydrogen-bonded Turntrans-65.7-15.1179.700000114.4L20 Y28 Y52 R53 Y54L20-A30 HydrophobicContact CD2-CB 4.44Å; Y28-A30 PolarHBondContact O-N 3.32Å; A30-Y52 HydrophobicContact CB-CD1 3.43Å; A30-Y52 VanDerWaalsContact CB-CD1 3.43Å; A30-Y52 HydrophobicContact CB-CE1 4.18Å; A30-Y52 HydrophobicContact CB-CG 3.64Å; A30-R53 PolarHBondContact N-O 2.86Å; A30-Y54 HydrophobicContact CB-CD1 4.42Å; A30-Y54 HydrophobicContact CB-CE1 3.92Å
31Y97.7Very high93.2Very high55 Ų5560.6 Ų60.622%0.21630%0.303CS..THydrogen-bonded Turntrans-91.9-65.9171.7-174.8-114.8000111.7Y18 C29 L33 C59 A62 S63 D66 F204Y18-Y31 WeakPolarHBondContact CE2-O 3.29Å; Y18-Y31 WeakPolarHBondContact OH-CD2 3.42Å; Y18-Y31 WeakPolarHBondContact OH-CE2 3.31Å; Y18-Y31 PolarHBondContact OH-O 3.38Å; C29-Y31 PolarHBondContact O-N 2.75Å; C29-Y31 VanDerWaalsContact O-N 3.14Å; Y31-L33 VanDerWaalsContact C-N 3.31Å; Y31-L33 PolarHBondContact O-N 3.42Å; Y31-C59 WeakPolarHBondContact CB-O 3.43Å; Y31-C59 HydrophobicContact CD1-CB 4.13Å; Y31-C59 HydrophobicContact CG-CB 4.44Å; Y31-A62 HydrophobicContact CD1-CB 3.91Å; Y31-A62 HydrophobicContact CD2-CB 4.15Å; Y31-A62 HydrophobicContact CE1-CB 3.41Å; Y31-A62 VanDerWaalsContact CE1-CB 3.41Å; Y31-A62 HydrophobicContact CE2-CB 3.68Å; Y31-A62 HydrophobicContact CG-CB 4.26Å; Y31-S63 VanDerWaalsContact CD2-CA 3.48Å; Y31-S63 VanDerWaalsContact CD2-N 3.34Å; Y31-D66 HydrophobicContact CE2-CB 4.4Å; Y31-F204 HydrophobicContact CE1-CE1 4.25Å; Y31-F204 VanDerWaalsContact O-CD1 3.23Å; Y31-F204 WeakPolarHBondContact O-CD1 3.28Å
32C96.2Very high92.9Very high12 Ų1268.7 Ų68.78%0.08134%0.337CS..THydrogen-bonded Turntrans-83.3-6.1-170.869.10000113.8C29 Q34 G203 F204C29-C32 VanDerWaalsContact CB-SG 3.54Å; C29-C32 VanDerWaalsContact SG-SG 3.63Å; C32-Q34 WeakPolarHBondContact O-CG 3.39Å; C32-Q34 PolarHBondContact O-N 3.33Å; C32-G203 CarbonylContact O-C 3.55Å; C32-G203 WeakPolarHBondContact O-CA 3.35Å; C32-F204 PolarHBondContact O-N 3.16Å
33L96.6Very high93Very high4 Ų467.9 Ų67.92%0.02133%0.333CS..  trans5534.9-174.7-51.4-171.5000113.7Y18 L20 C29 Y31 V170 V178 F204Y18-L33 HydrophobicContact CD2-CD1 3.91Å; Y18-L33 HydrophobicContact CD2-CD2 4.25Å; Y18-L33 HydrophobicContact CD2-CG 4.06Å; Y18-L33 HydrophobicContact CE2-CD2 4.48Å; Y18-L33 HydrophobicContact CE2-CG 4.36Å; L20-L33 HydrophobicContact CB-CD2 3.68Å; L20-L33 HydrophobicContact CD1-CD2 3.79Å; L20-L33 HydrophobicContact CG-CD2 4.34Å; C29-L33 VanDerWaalsContact O-CA 3.25Å; C29-L33 WeakPolarHBondContact O-CA 3.31Å; C29-L33 PolarHBondContact O-N 3.46Å; Y31-L33 VanDerWaalsContact C-N 3.31Å; Y31-L33 PolarHBondContact O-N 3.42Å; L33-V170 HydrophobicContact CD1-CB 4.22Å; L33-V170 HydrophobicContact CD1-CG1 3.98Å; L33-V170 HydrophobicContact CD1-CG2 4.32Å; L33-V178 HydrophobicContact CB-CG2 4.33Å; L33-F204 HydrophobicContact CD1-CB 3.83Å; L33-F204 HydrophobicContact CG-CB 4.14Å
34Q94.3Very high93.1Very high16 Ų1665.1 Ų65.18%0.07532%0.322CS..SBendtrans-129.7158.6-179.8-62.417935.900110.6C29 C32 D202C29-Q34 WeakPolarHBondContact CB-O 3.42Å; C29-Q34 PolarHBondContact N-O 2.81Å; C32-Q34 WeakPolarHBondContact O-CG 3.39Å; C32-Q34 PolarHBondContact O-N 3.33Å; Q34-D202 PolarHBondContact NE2-OD1 3.41Å
35E92.8Very high93.2Very high91 Ų9167.3 Ų67.343%0.42534%0.337SS..  trans-57.1161.6170.6-70.7-175.3-178.300112.6Y28 R37 R461Y28-E35 HydrophobicContact CD1-CG 4.11Å; Y28-E35 HydrophobicContact CE1-CG 3.69Å; E35-R37 PolarHBondContact O-N 3.02Å; E35-R461 PolarHBondContact O-NH2 3.18Å
36P91.8Very high93.3Very high36 Ų3667.3 Ų67.323%0.23434%0.337CS..  trans-47.8137171.6-26.332.2000112.7L38 K41 L43P36-L38 PolarHBondContact O-N 3.44Å; P36-L38 VanDerWaalsContact O-N 3.14Å; P36-K41 HydrophobicContact CB-CB 4.49Å; P36-K41 WeakPolarHBondContact CB-O 3.48Å; P36-K41 WeakPolarHBondContact CG-O 3.42Å; P36-L43 HydrophobicContact CB-CD2 4.28Å; P36-L43 HydrophobicContact CG-CD2 3.78Å; P36-L43 HydrophobicContact CG-CG 3.96Å
37R87.5Confident93.2Very high109 Ų10963.8 Ų63.841%0.41134%0.337SS..SBendtrans-59.1-28.1-179.2-65.2-177.1-171.8-88.30.5113.9E35 C55 D56E35-R37 PolarHBondContact O-N 3.02Å; R37-C55 HydrophobicContact CG-CB 4.23Å; R37-D56 IonicContact CZ-OD2 3.4Å; R37-D56 IonicContact NE-OD2 2.72Å; R37-D56 PolarHBondContact NE-OD2 3.31Å; R37-D56 IonicContact NH2-OD2 3.57Å
38L85.4Confident93.2Very high113 Ų11359.9 Ų59.959%0.59232%0.324SS*.SBendtrans-117.5130.9178.8-64.4176.3000108.6P36 G40 K41P36-L38 PolarHBondContact O-N 3.44Å; P36-L38 VanDerWaalsContact O-N 3.14Å; L38-G40 PolarHBondContact O-N 2.93Å; L38-K41 HydrophobicContact CB-CB 3.99Å; L38-K41 HydrophobicContact CB-CD 4.39Å; L38-K41 HydrophobicContact CD1-CD 4.28Å; L38-K41 WeakPolarHBondContact O-CB 3.46Å; L38-K41 PolarHBondContact O-N 3.34Å
39K81.5Confident93.1Very high202 Ų20259.3 Ų59.388%0.87832%0.322SS*.THydrogen-bonded Turntrans-56.3131.5175.8-168173.5-176.8175.60109.9K41K39-K41 VanDerWaalsContact C-N 3.28Å; K39-K41 PolarHBondContact O-N 3.13Å
40G84.3Confident92.9Very high84 Ų8464.6 Ų64.687%0.86635%0.347SS*.THydrogen-bonded Turntrans80.2-6-178.800000115.7L38L38-G40 PolarHBondContact O-N 2.93Å
41K89.8Confident92.7Very high101 Ų10167.3 Ų67.344%0.43936%0.357SS..PPolyproline II helixtrans-79.9130.2175.6-174.6173.9179.3-178.80110.7P36 L38 K39P36-K41 HydrophobicContact CB-CB 4.49Å; P36-K41 WeakPolarHBondContact CB-O 3.48Å; P36-K41 WeakPolarHBondContact CG-O 3.42Å; L38-K41 HydrophobicContact CB-CB 3.99Å; L38-K41 HydrophobicContact CB-CD 4.39Å; L38-K41 HydrophobicContact CD1-CD 4.28Å; L38-K41 WeakPolarHBondContact O-CB 3.46Å; L38-K41 PolarHBondContact O-N 3.34Å; K39-K41 VanDerWaalsContact C-N 3.28Å; K39-K41 PolarHBondContact O-N 3.13Å
42K93.2Very high92.6Very high186 Ų18664.8 Ų64.881%0.80935%0.347SS*.PPolyproline II helixtrans-74.8145.9173.8-63.7-175179-177.20111.5
43L97.2Very high92.7Very high13 Ų1367.5 Ų67.57%0.06836%0.355CS..PPolyproline II helixtrans-70.2145.6172.2-61.4172.4000111Y28 C29 P36 R53 Y54Y28-L43 WeakPolarHBondContact O-CD1 3.25Å; C29-L43 HydrophobicContact CB-CD2 4.34Å; P36-L43 HydrophobicContact CB-CD2 4.28Å; P36-L43 HydrophobicContact CG-CD2 3.78Å; P36-L43 HydrophobicContact CG-CG 3.96Å; L43-R53 HydrophobicContact CB-CB 3.52Å; L43-R53 HydrophobicContact CD1-CB 3.92Å; L43-R53 HydrophobicContact CG-CB 4.37Å; L43-Y54 CarbonylContact C-O 3.6Å; L43-Y54 WeakPolarHBondContact CA-O 3.38Å
44L97Very high92.8Very high73 Ų7367.3 Ų67.338%0.38235%0.354SS..EExtended strand (participates in β ladder)trans-79122.3176.8-57-178.2000110.2R53 Y54L44-R53 CarbonylContact O-C 3.58Å; L44-R53 WeakPolarHBondContact O-CA 3.32Å; L44-Y54 PolarHBondContact N-O 2.83Å; L44-Y54 PolarHBondContact O-N 3.1Å
45V96.8Very high92.9Very high63 Ų6366.8 Ų66.838%0.38235%0.353SS..EExtended strand (participates in β ladder)trans-76.2140.7177.7-175.60000110.2G47 H50 R53V45-G47 PolarHBondContact O-N 3.39Å; V45-H50 WeakPolarHBondContact CG1-O 3.21Å; V45-R53 HydrophobicContact CG2-CG 4.22Å
46C97Very high93Very high5 Ų563.8 Ų63.83%0.03434%0.339CS..PPolyproline II helixtrans-62.2126.1171.4-173.40000110.6G48 H50 Y52 Y54 H68C46-G48 PolarHBondContact O-N 3.24Å; C46-H50 VanDerWaalsContact O-CA 3.25Å; C46-H50 WeakPolarHBondContact O-CA 3.41Å; C46-H50 PolarHBondContact O-N 3.29Å; C46-H50 VanDerWaalsContact O-N 3.1Å; C46-Y52 PolarHBondContact N-O 3.45Å; C46-Y54 HydrophobicContact CB-CE2 4.09Å; C46-H68 PolarHBondContact SG-NE2 3.08Å
47G93.4Very high93.2Very high60 Ų6069.2 Ų69.262%0.61936%0.359SS*.THydrogen-bonded Turntrans-72.3-9.6179.200000115.3V45 H50V45-G47 PolarHBondContact O-N 3.39Å; G47-H50 PolarHBondContact O-CE1 2.86Å; G47-H50 VanDerWaalsContact O-CE1 3.24Å; G47-H50 PolarHBondContact O-NE2 3.13Å
48G93.6Very high93.7Very high22 Ų2270 Ų7023%0.22737%0.369CS..THydrogen-bonded Turntrans-95.2-68.3177.900000112.5C46 H50C46-G48 PolarHBondContact O-N 3.24Å; G48-H50 VanDerWaalsContact C-N 3.34Å; G48-H50 PolarHBondContact O-CD2 3.4Å
49C94.4Very high94.3Very high1 Ų164.9 Ų64.91%0.00734%0.343CS..THydrogen-bonded Turntrans-79.2-13.4-178.267.40000114.4W51 H68 C72 L75C49-W51 PolarHBondContact O-N 3.41Å; C49-H68 VanDerWaalsContact SG-CE1 3.53Å; C49-C72 PolarHBondContact N-SG 3.02Å; C49-C72 VanDerWaalsContact N-SG 3.45Å; C49-L75 HydrophobicContact CB-CB 3.76Å; C49-L75 HydrophobicContact CB-CD1 4.32Å
50H92.4Very high95Very high111 Ų11158 Ų5851%0.51431%0.314SS..SBendtrans56.27.2-175.7-57.8-67.1000116.5V45 C46 G47 G48V45-H50 WeakPolarHBondContact CG1-O 3.21Å; C46-H50 VanDerWaalsContact O-CA 3.25Å; C46-H50 WeakPolarHBondContact O-CA 3.41Å; C46-H50 PolarHBondContact O-N 3.29Å; C46-H50 VanDerWaalsContact O-N 3.1Å; G47-H50 PolarHBondContact O-CE1 2.86Å; G47-H50 VanDerWaalsContact O-CE1 3.24Å; G47-H50 PolarHBondContact O-NE2 3.13Å; G48-H50 VanDerWaalsContact C-N 3.34Å; G48-H50 PolarHBondContact O-CD2 3.4Å
51W94Very high95.7Very high57 Ų5761.4 Ų61.422%0.21631%0.305CS..  trans-102.3-65.4-176.8-179.5-119.5000112.5N22 V25 C49 L82N22-W51 HydrophobicContact CB-CZ2 4.11Å; N22-W51 WeakPolarHBondContact O-CZ2 3.42Å; V25-W51 HydrophobicContact CB-CZ2 4.03Å; V25-W51 HydrophobicContact CG1-CD2 4.33Å; V25-W51 HydrophobicContact CG1-CE3 4.3Å; V25-W51 HydrophobicContact CG1-CH2 3.64Å; V25-W51 HydrophobicContact CG1-CZ2 3.63Å; V25-W51 HydrophobicContact CG1-CZ3 3.98Å; V25-W51 HydrophobicContact CG2-CD2 4.22Å; V25-W51 HydrophobicContact CG2-CG 4.49Å; V25-W51 HydrophobicContact CG2-CZ2 4.38Å; V25-W51 WeakPolarHBondContact CG2-O 3.21Å; C49-W51 PolarHBondContact O-N 3.41Å; W51-L82 HydrophobicContact CB-CD1 4.47Å; W51-L82 HydrophobicContact CD2-CD1 3.13Å; W51-L82 HydrophobicContact CD2-CG 4.45Å; W51-L82 HydrophobicContact CE3-CD1 3.26Å; W51-L82 HydrophobicContact CG-CD1 3.71Å; W51-L82 HydrophobicContact CG-CD2 4.29Å; W51-L82 HydrophobicContact CH2-CD1 3.6Å; W51-L82 HydrophobicContact CZ2-CD1 3.51Å; W51-L82 HydrophobicContact CZ3-CD1 3.48Å; W51-L82 VanDerWaalsContact CZ3-CD1 3.48Å
52Y96.5Very high96Very high1 Ų158 Ų580%0.00430%0.295CS..  trans-65.7146.1-175.8-73.7-42.9000112.7V25 A30 C46 H68 E71 L75 R92V25-Y52 HydrophobicContact CG2-CD1 4.28Å; A30-Y52 HydrophobicContact CB-CD1 3.43Å; A30-Y52 VanDerWaalsContact CB-CD1 3.43Å; A30-Y52 HydrophobicContact CB-CE1 4.18Å; A30-Y52 HydrophobicContact CB-CG 3.64Å; C46-Y52 PolarHBondContact N-O 3.45Å; Y52-H68 AromaticContact CD2-CE1 3.54Å; Y52-H68 AromaticContact CD2-ND1 3.53Å; Y52-H68 AromaticContact CE2-ND1 3.8Å; Y52-E71 VanDerWaalsContact CE2-OE2 3.26Å; Y52-E71 WeakPolarHBondContact CE2-OE2 3.22Å; Y52-E71 PolarHBondContact OH-OE1 3.06Å; Y52-E71 VanDerWaalsContact OH-OE1 3.1Å; Y52-L75 HydrophobicContact CD2-CD1 4.03Å; Y52-L75 HydrophobicContact CE2-CD1 3.53Å; Y52-R92 PolarHBondContact OH-NH2 3.32Å; Y52-R92 VanDerWaalsContact OH-NH2 3.07Å
53R97.8Very high96.3Very high69 Ų6949.1 Ų49.126%0.2626%0.257SS..EExtended strand (participates in β ladder)trans-124.6148.5-180-45.9-172.8-177-121.68.4111.3V25 E26 C29 A30 L43 L44 V45V25-R53 HydrophobicContact CG2-CG 4.43Å; V25-R53 VanDerWaalsContact O-CD 3.27Å; V25-R53 WeakPolarHBondContact O-CD 3.39Å; V25-R53 WeakPolarHBondContact O-CG 3.46Å; E26-R53 IonicContact OE1-NH2 3.3Å; E26-R53 PolarHBondContact OE1-NH2 3.18Å; C29-R53 CarbonylContact C-O 3.56Å; C29-R53 WeakPolarHBondContact CA-O 3.46Å; A30-R53 PolarHBondContact N-O 2.86Å; L43-R53 HydrophobicContact CB-CB 3.52Å; L43-R53 HydrophobicContact CD1-CB 3.92Å; L43-R53 HydrophobicContact CG-CB 4.37Å; L44-R53 CarbonylContact O-C 3.58Å; L44-R53 WeakPolarHBondContact O-CA 3.32Å; V45-R53 HydrophobicContact CG2-CG 4.22Å
54Y98.2Very high96.3Very high0 Ų054.1 Ų54.10%028%0.275CS..EExtended strand (participates in β ladder)trans-134.6148.7-172.7-56.5-75.9000112.4A30 L43 L44 C46 D56 C59 Q60 S63 H68A30-Y54 HydrophobicContact CB-CD1 4.42Å; A30-Y54 HydrophobicContact CB-CE1 3.92Å; L43-Y54 CarbonylContact C-O 3.6Å; L43-Y54 WeakPolarHBondContact CA-O 3.38Å; L44-Y54 PolarHBondContact N-O 2.83Å; L44-Y54 PolarHBondContact O-N 3.1Å; C46-Y54 HydrophobicContact CB-CE2 4.09Å; Y54-D56 VanDerWaalsContact C-N 3.26Å; Y54-D56 PolarHBondContact O-N 3.18Å; Y54-C59 HydrophobicContact CD1-CB 4.33Å; Y54-Q60 HydrophobicContact CD1-CB 4.48Å; Y54-Q60 HydrophobicContact CD2-CB 3.79Å; Y54-Q60 HydrophobicContact CD2-CG 3.77Å; Y54-Q60 HydrophobicContact CE2-CB 4.27Å; Y54-Q60 HydrophobicContact CE2-CG 3.85Å; Y54-Q60 HydrophobicContact CG-CB 3.9Å; Y54-Q60 HydrophobicContact CG-CG 4.37Å; Y54-S63 VanDerWaalsContact CE1-CB 3.44Å; Y54-S63 WeakPolarHBondContact CE1-OG 3.5Å; Y54-S63 PolarHBondContact OH-OG 2.97Å; Y54-S63 VanDerWaalsContact OH-OG 3.13Å; Y54-H68 PolarHBondContact OH-CD2 2.72Å
55C96.3Very high96.2Very high6 Ų659.6 Ų59.64%0.04130%0.296CS..SBendtrans-57.4-40.2175.7-70.30000113.1C29 R37C29-C55 WeakPolarHBondContact CB-SG 3.49Å; C29-C55 PolarHBondContact SG-N 2.67Å; R37-C55 HydrophobicContact CG-CB 4.23Å
56D96Very high96.1Very high27 Ų2759.6 Ų59.614%0.14429%0.293CS..SBendtrans-167.6178.9-17254.251.5000110.6R37 Y54 M58 C59 Q60R37-D56 IonicContact CZ-OD2 3.4Å; R37-D56 IonicContact NE-OD2 2.72Å; R37-D56 PolarHBondContact NE-OD2 3.31Å; R37-D56 IonicContact NH2-OD2 3.57Å; Y54-D56 VanDerWaalsContact C-N 3.26Å; Y54-D56 PolarHBondContact O-N 3.18Å; D56-M58 PolarHBondContact O-N 3.03Å; D56-M58 WeakPolarHBondContact OD1-CA 3.44Å; D56-M58 WeakPolarHBondContact OD1-CB 3.36Å; D56-M58 PolarHBondContact OD1-N 3.12Å; D56-C59 PolarHBondContact O-N 3.41Å; D56-C59 PolarHBondContact OD1-N 3.2Å; D56-Q60 PolarHBondContact O-N 3.04Å
57K95.9Very high95.9Very high150 Ų15060.5 Ų60.565%0.65230%0.297SS*.Hα-helixtrans-63.2-22.4177.5-68.3-174.7178-179.30113.5K61K57-K61 WeakPolarHBondContact O-CB 3.44Å; K57-K61 VanDerWaalsContact O-CG 3.26Å; K57-K61 WeakPolarHBondContact O-CG 3.35Å; K57-K61 PolarHBondContact O-N 3.37Å; K57-K61 VanDerWaalsContact O-N 3.09Å
58M96.5Very high96.1Very high127 Ų12757.6 Ų57.663%0.62627%0.267SS*.Hα-helixtrans-72.6-48.4177.8-56.7-177.7-65.900110D56 Q60 K61 A62D56-M58 PolarHBondContact O-N 3.03Å; D56-M58 WeakPolarHBondContact OD1-CA 3.44Å; D56-M58 WeakPolarHBondContact OD1-CB 3.36Å; D56-M58 PolarHBondContact OD1-N 3.12Å; M58-Q60 VanDerWaalsContact C-N 3.31Å; M58-Q60 PolarHBondContact O-N 2.96Å; M58-K61 PolarHBondContact O-N 2.73Å; M58-A62 WeakPolarHBondContact O-CB 3.38Å; M58-A62 PolarHBondContact O-N 3.14Å
59C97.6Very high96.2Very high4 Ų463.3 Ų63.33%0.02729%0.286CS..Hα-helixtrans-59.8-41.1174.6-74.10000112.1Y31 Y54 D56 A62 S63Y31-C59 WeakPolarHBondContact CB-O 3.43Å; Y31-C59 HydrophobicContact CD1-CB 4.13Å; Y31-C59 HydrophobicContact CG-CB 4.44Å; Y54-C59 HydrophobicContact CD1-CB 4.33Å; D56-C59 PolarHBondContact O-N 3.41Å; D56-C59 PolarHBondContact OD1-N 3.2Å; C59-A62 PolarHBondContact O-N 3.31Å; C59-S63 WeakPolarHBondContact O-CB 3.44Å; C59-S63 PolarHBondContact O-N 3.47Å
60Q97.8Very high96Very high59 Ų5968 Ų6828%0.27631%0.307SS..Hα-helixtrans-62.5-47.3177.4-172.9179.118.200112Y54 D56 M58 A62 S63 W64Y54-Q60 HydrophobicContact CD1-CB 4.48Å; Y54-Q60 HydrophobicContact CD2-CB 3.79Å; Y54-Q60 HydrophobicContact CD2-CG 3.77Å; Y54-Q60 HydrophobicContact CE2-CB 4.27Å; Y54-Q60 HydrophobicContact CE2-CG 3.85Å; Y54-Q60 HydrophobicContact CG-CB 3.9Å; Y54-Q60 HydrophobicContact CG-CG 4.37Å; D56-Q60 PolarHBondContact O-N 3.04Å; M58-Q60 VanDerWaalsContact C-N 3.31Å; M58-Q60 PolarHBondContact O-N 2.96Å; Q60-A62 VanDerWaalsContact C-N 3.34Å; Q60-A62 PolarHBondContact O-N 2.86Å; Q60-S63 PolarHBondContact O-N 2.96Å; Q60-W64 WeakPolarHBondContact O-CB 3.37Å; Q60-W64 PolarHBondContact O-N 3.48Å
61K97.9Very high96.1Very high155 Ų15562.7 Ų62.767%0.67428%0.283SS*.Hα-helixtrans-63.5-39.7177.4-75.4177.8179.2-172.80112.3K57 M58 W64 K65K57-K61 WeakPolarHBondContact O-CB 3.44Å; K57-K61 VanDerWaalsContact O-CG 3.26Å; K57-K61 WeakPolarHBondContact O-CG 3.35Å; K57-K61 PolarHBondContact O-N 3.37Å; K57-K61 VanDerWaalsContact O-N 3.09Å; M58-K61 PolarHBondContact O-N 2.73Å; K61-W64 WeakPolarHBondContact O-CB 3.24Å; K61-W64 PolarHBondContact O-N 3.43Å; K61-K65 PolarHBondContact O-N 3.21Å; K61-K65 VanDerWaalsContact O-N 3.09Å
62A97.4Very high96.3Very high29 Ų2960.4 Ų60.424%0.2428%0.276CS..Hα-helixtrans-67.4-44.8179.100000111.5Y31 M58 C59 Q60 W64 K65 D66Y31-A62 HydrophobicContact CD1-CB 3.91Å; Y31-A62 HydrophobicContact CD2-CB 4.15Å; Y31-A62 HydrophobicContact CE1-CB 3.41Å; Y31-A62 VanDerWaalsContact CE1-CB 3.41Å; Y31-A62 HydrophobicContact CE2-CB 3.68Å; Y31-A62 HydrophobicContact CG-CB 4.26Å; M58-A62 WeakPolarHBondContact O-CB 3.38Å; M58-A62 PolarHBondContact O-N 3.14Å; C59-A62 PolarHBondContact O-N 3.31Å; Q60-A62 VanDerWaalsContact C-N 3.34Å; Q60-A62 PolarHBondContact O-N 2.86Å; A62-W64 VanDerWaalsContact C-N 3.33Å; A62-W64 PolarHBondContact O-N 3.22Å; A62-K65 PolarHBondContact O-N 2.9Å; A62-D66 WeakPolarHBondContact O-CB 3.45Å; A62-D66 PolarHBondContact O-N 2.85Å
63S97.8Very high96.1Very high0 Ų066.4 Ų66.40%030%0.303CS..Hα-helixtrans-61.4-40.3172.9175.70000112.3Y31 Y54 C59 Q60 K65 D66 H67 H68Y31-S63 VanDerWaalsContact CD2-CA 3.48Å; Y31-S63 VanDerWaalsContact CD2-N 3.34Å; Y54-S63 VanDerWaalsContact CE1-CB 3.44Å; Y54-S63 WeakPolarHBondContact CE1-OG 3.5Å; Y54-S63 PolarHBondContact OH-OG 2.97Å; Y54-S63 VanDerWaalsContact OH-OG 3.13Å; C59-S63 WeakPolarHBondContact O-CB 3.44Å; C59-S63 PolarHBondContact O-N 3.47Å; Q60-S63 PolarHBondContact O-N 2.96Å; S63-K65 VanDerWaalsContact C-N 3.35Å; S63-K65 PolarHBondContact O-N 2.96Å; S63-D66 PolarHBondContact O-N 3.17Å; S63-H67 PolarHBondContact O-N 3.31Å; S63-H67 PolarHBondContact OG-NE2 3.06Å; S63-H67 VanDerWaalsContact OG-NE2 3.08Å; S63-H68 WeakPolarHBondContact O-CB 3.42Å; S63-H68 PolarHBondContact O-N 3.14Å; S63-H68 WeakPolarHBondContact OG-CB 3.49Å
64W97.7Very high96Very high117 Ų11764.5 Ų64.544%0.44330%0.296SS..Iπ-helixtrans-57.6-46.4175.7-170.6-97.7000112.3Q60 K61 A62 H68 K69 C72Q60-W64 WeakPolarHBondContact O-CB 3.37Å; Q60-W64 PolarHBondContact O-N 3.48Å; K61-W64 WeakPolarHBondContact O-CB 3.24Å; K61-W64 PolarHBondContact O-N 3.43Å; A62-W64 VanDerWaalsContact C-N 3.33Å; A62-W64 PolarHBondContact O-N 3.22Å; W64-H68 AromaticContact CE3-CD2 3.81Å; W64-K69 HydrophobicContact CD2-CB 4.06Å; W64-K69 HydrophobicContact CG-CB 4.35Å; W64-K69 HydrophobicContact CZ2-CB 4.16Å; W64-K69 HydrophobicContact CZ2-CG 3.88Å; W64-K69 VanDerWaalsContact O-CB 3.24Å; W64-K69 WeakPolarHBondContact O-CB 3.42Å; W64-K69 PolarHBondContact O-N 3.43Å; W64-C72 HydrophobicContact CH2-CB 4.37Å; W64-C72 HydrophobicContact CZ3-CB 3.84Å
65K95.5Very high95.8Very high189 Ų18964.5 Ų64.582%0.82230%0.296SS*.Iπ-helixtrans-67.4-37.8178-173.9-179.2177.2-174.40112.4K61 A62 S63K61-K65 PolarHBondContact O-N 3.21Å; K61-K65 VanDerWaalsContact O-N 3.09Å; A62-K65 PolarHBondContact O-N 2.9Å; S63-K65 VanDerWaalsContact C-N 3.35Å; S63-K65 PolarHBondContact O-N 2.96Å
66D94.3Very high95.6Very high62 Ų6269.1 Ų69.133%0.33232%0.317SS..Iπ-helixtrans-78.6-50.5-171.3-171.859.5000113.4Y18 Y31 A62 S63Y18-D66 WeakPolarHBondContact CE1-OD2 3.4Å; Y18-D66 PolarHBondContact OH-OD2 3.18Å; Y31-D66 HydrophobicContact CE2-CB 4.4Å; A62-D66 WeakPolarHBondContact O-CB 3.45Å; A62-D66 PolarHBondContact O-N 2.85Å; S63-D66 PolarHBondContact O-N 3.17Å
67H93.7Very high95.3Very high24 Ų2472.7 Ų72.711%0.11134%0.34CS..Iπ-helixtrans-150.2-31.7-174.451-98.6000113.9Y18 S63 K69 Q70 E71 R92Y18-H67 AromaticContact CZ-CE1 3.78Å; Y18-H67 PolarHBondContact OH-CE1 3.31Å; S63-H67 PolarHBondContact O-N 3.31Å; S63-H67 PolarHBondContact OG-NE2 3.06Å; S63-H67 VanDerWaalsContact OG-NE2 3.08Å; H67-K69 VanDerWaalsContact C-N 3.34Å; H67-K69 PolarHBondContact O-N 2.97Å; H67-Q70 PolarHBondContact O-N 3.43Å; H67-E71 IonicContact CD2-OE2 3.56Å; H67-R92 PolarHBondContact CD2-NH1 2.8Å; H67-R92 VanDerWaalsContact CD2-NH1 3.27Å; H67-R92 PolarHBondContact CD2-NH2 3.09Å; H67-R92 PolarHBondContact CE1-NH1 3.39Å; H67-R92 PolarHBondContact NE2-NH1 3.23Å; H67-R92 PolarHBondContact NE2-NH2 2.74Å
68H96.7Very high94.8Very high0 Ų066.7 Ų66.70%032%0.316CS..Iπ-helixtrans-71.8-24.8-165.1-173.448.8000113.8C46 C49 Y52 Y54 S63 W64 Q70 E71 C72C46-H68 PolarHBondContact SG-NE2 3.08Å; C49-H68 VanDerWaalsContact SG-CE1 3.53Å; Y52-H68 AromaticContact CD2-CE1 3.54Å; Y52-H68 AromaticContact CD2-ND1 3.53Å; Y52-H68 AromaticContact CE2-ND1 3.8Å; Y54-H68 PolarHBondContact OH-CD2 2.72Å; S63-H68 WeakPolarHBondContact O-CB 3.42Å; S63-H68 PolarHBondContact O-N 3.14Å; S63-H68 WeakPolarHBondContact OG-CB 3.49Å; W64-H68 AromaticContact CE3-CD2 3.81Å; H68-Q70 VanDerWaalsContact C-N 3.29Å; H68-Q70 PolarHBondContact O-N 3.32Å; H68-E71 IonicContact ND1-OE2 3.5Å; H68-E71 PolarHBondContact O-N 2.84Å; H68-E71 VanDerWaalsContact O-N 3.11Å; H68-C72 VanDerWaalsContact CE1-CB 3.43Å; H68-C72 WeakPolarHBondContact CE1-CB 3.49Å; H68-C72 VanDerWaalsContact O-CB 3.27Å; H68-C72 WeakPolarHBondContact O-CB 3.27Å; H68-C72 PolarHBondContact O-N 2.89Å
69K95.3Very high94.2Very high142 Ų14265.1 Ų65.162%0.61731%0.306SS*.Hα-helixtrans-54.6-43.3178.2179.2-179.4179.8-171.90112.7W64 H67W64-K69 HydrophobicContact CD2-CB 4.06Å; W64-K69 HydrophobicContact CG-CB 4.35Å; W64-K69 HydrophobicContact CZ2-CB 4.16Å; W64-K69 HydrophobicContact CZ2-CG 3.88Å; W64-K69 VanDerWaalsContact O-CB 3.24Å; W64-K69 WeakPolarHBondContact O-CB 3.42Å; W64-K69 PolarHBondContact O-N 3.43Å; H67-K69 VanDerWaalsContact C-N 3.34Å; H67-K69 PolarHBondContact O-N 2.97Å
70Q90.9Very high93.6Very high98 Ų9869 Ų6946%0.45833%0.331SS..Hα-helixtrans-81.2-25.4-179.9-55.7-173.338.800112.1H67 H68 R74H67-Q70 PolarHBondContact O-N 3.43Å; H68-Q70 VanDerWaalsContact C-N 3.29Å; H68-Q70 PolarHBondContact O-N 3.32Å; Q70-R74 PolarHBondContact O-NE 2.93Å; Q70-R74 VanDerWaalsContact O-NE 3.11Å; Q70-R74 PolarHBondContact O-NH2 3.38Å; Q70-R74 VanDerWaalsContact O-NH2 3.1Å
71E94.9Very high93Very high0 Ų073.6 Ų73.60%035%0.352CS..Hα-helixtrans-83-37.5-176.3-153.8179.9-157.100112.7Y52 H67 H68 H73 R74 L75 R92 Y145Y52-E71 VanDerWaalsContact CE2-OE2 3.26Å; Y52-E71 WeakPolarHBondContact CE2-OE2 3.22Å; Y52-E71 PolarHBondContact OH-OE1 3.06Å; Y52-E71 VanDerWaalsContact OH-OE1 3.1Å; H67-E71 IonicContact CD2-OE2 3.56Å; H68-E71 IonicContact ND1-OE2 3.5Å; H68-E71 PolarHBondContact O-N 2.84Å; H68-E71 VanDerWaalsContact O-N 3.11Å; E71-H73 VanDerWaalsContact C-N 3.33Å; E71-H73 PolarHBondContact O-N 3.38Å; E71-R74 PolarHBondContact O-N 3.3Å; E71-L75 HydrophobicContact CG-CD1 3.86Å; E71-L75 HydrophobicContact CG-CG 4.16Å; E71-L75 WeakPolarHBondContact O-CG 3.21Å; E71-L75 PolarHBondContact O-N 3.05Å; E71-R92 IonicContact OE1-CZ 2.75Å; E71-R92 IonicContact OE1-NE 3.39Å; E71-R92 PolarHBondContact OE1-NE 3.19Å; E71-R92 IonicContact OE1-NH2 3.59Å; E71-R92 PolarHBondContact OE1-NH2 2.67Å; E71-R92 IonicContact OE2-CZ 3.37Å; E71-R92 IonicContact OE2-NE 3.21Å; E71-R92 PolarHBondContact OE2-NE 3.15Å; E71-R92 IonicContact OE2-NH2 3.69Å; E71-R92 PolarHBondContact OE2-NH2 3.13Å; E71-Y145 WeakPolarHBondContact CG-OH 3.3Å
72C96.6Very high92.6Very high9 Ų967.9 Ų67.96%0.06133%0.329CS..Hα-helixtrans-57.7-43.6-168.8-173.20000112.7C49 W64 H68 Q76C49-C72 PolarHBondContact N-SG 3.02Å; C49-C72 VanDerWaalsContact N-SG 3.45Å; W64-C72 HydrophobicContact CH2-CB 4.37Å; W64-C72 HydrophobicContact CZ3-CB 3.84Å; H68-C72 VanDerWaalsContact CE1-CB 3.43Å; H68-C72 WeakPolarHBondContact CE1-CB 3.49Å; H68-C72 VanDerWaalsContact O-CB 3.27Å; H68-C72 WeakPolarHBondContact O-CB 3.27Å; H68-C72 PolarHBondContact O-N 2.89Å; C72-Q76 WeakPolarHBondContact O-CB 3.44Å; C72-Q76 PolarHBondContact O-N 3.42Å
73H93.7Very high92.3Very high127 Ų12767.2 Ų67.259%0.58832%0.322SS*.Hα-helixtrans-67.7-45.5180-179.260.2000111.9E71 L75 Q76 T77E71-H73 VanDerWaalsContact C-N 3.33Å; E71-H73 PolarHBondContact O-N 3.38Å; H73-L75 VanDerWaalsContact C-N 3.31Å; H73-L75 PolarHBondContact O-N 3.4Å; H73-Q76 WeakPolarHBondContact O-CB 3.4Å; H73-Q76 PolarHBondContact O-N 3.14Å; H73-Q76 VanDerWaalsContact O-N 3.11Å; H73-T77 PolarHBondContact O-N 3.21Å; H73-T77 VanDerWaalsContact O-N 3.11Å; H73-T77 PolarHBondContact O-OG1 2.81Å
74R94.4Very high92.2Very high29 Ų2969.9 Ų69.911%0.10934%0.338CS..Hα-helixtrans-60.2-42176.8-72.3177.4-70.2-1804.6111.7Q70 E71 Q76 T77 V78 D95 Y145Q70-R74 PolarHBondContact O-NE 2.93Å; Q70-R74 VanDerWaalsContact O-NE 3.11Å; Q70-R74 PolarHBondContact O-NH2 3.38Å; Q70-R74 VanDerWaalsContact O-NH2 3.1Å; E71-R74 PolarHBondContact O-N 3.3Å; R74-Q76 VanDerWaalsContact C-N 3.32Å; R74-Q76 PolarHBondContact O-N 3.27Å; R74-T77 PolarHBondContact O-N 2.85Å; R74-V78 WeakPolarHBondContact O-CG2 3.29Å; R74-V78 PolarHBondContact O-N 3.29Å; R74-D95 IonicContact CZ-OD2 3.62Å; R74-D95 IonicContact NH1-OD1 3.36Å; R74-D95 PolarHBondContact NH1-OD1 2.96Å; R74-D95 IonicContact NH1-OD2 3.19Å; R74-D95 PolarHBondContact NH1-OD2 2.93Å; R74-D95 IonicContact NH2-OD2 2.78Å; R74-D95 PolarHBondContact NH2-OD2 3.35Å; R74-Y145 HydrophobicContact CB-CD2 4.03Å; R74-Y145 HydrophobicContact CB-CE2 3.48Å; R74-Y145 VanDerWaalsContact CB-CE2 3.48Å; R74-Y145 VanDerWaalsContact CD-O 3.31Å; R74-Y145 WeakPolarHBondContact CD-O 3.49Å
75L94.3Very high92.2Very high0 Ų065.5 Ų65.50%032%0.324CS..Hα-helixtrans-61.7-39.6175.1-72.5173.4000112.3C49 Y52 E71 H73 T77 V78 F79 L82 L88 Y145C49-L75 HydrophobicContact CB-CB 3.76Å; C49-L75 HydrophobicContact CB-CD1 4.32Å; Y52-L75 HydrophobicContact CD2-CD1 4.03Å; Y52-L75 HydrophobicContact CE2-CD1 3.53Å; E71-L75 HydrophobicContact CG-CD1 3.86Å; E71-L75 HydrophobicContact CG-CG 4.16Å; E71-L75 WeakPolarHBondContact O-CG 3.21Å; E71-L75 PolarHBondContact O-N 3.05Å; H73-L75 VanDerWaalsContact C-N 3.31Å; H73-L75 PolarHBondContact O-N 3.4Å; L75-T77 VanDerWaalsContact C-N 3.33Å; L75-T77 PolarHBondContact O-N 2.87Å; L75-V78 WeakPolarHBondContact O-CG2 3.44Å; L75-V78 PolarHBondContact O-N 3.08Å; L75-F79 WeakPolarHBondContact O-CB 3.45Å; L75-F79 PolarHBondContact O-N 3.39Å; L75-L82 HydrophobicContact CD2-CD2 3.87Å; L75-L88 HydrophobicContact CD2-CD1 4.28Å; L75-L88 HydrophobicContact CD2-CD2 3.65Å; L75-Y145 HydrophobicContact CD2-CE2 4.27Å
76Q92.5Very high92.3Very high103 Ų10358.4 Ų58.448%0.48129%0.294SS..Hα-helixtrans-63.6-38.8177.8-166.1178.99.400111.8C72 H73 R74C72-Q76 WeakPolarHBondContact O-CB 3.44Å; C72-Q76 PolarHBondContact O-N 3.42Å; H73-Q76 WeakPolarHBondContact O-CB 3.4Å; H73-Q76 PolarHBondContact O-N 3.14Å; H73-Q76 VanDerWaalsContact O-N 3.11Å; R74-Q76 VanDerWaalsContact C-N 3.32Å; R74-Q76 PolarHBondContact O-N 3.27Å
77T89.4Confident92.5Very high103 Ų10355.4 Ų55.463%0.63228%0.278SS*.Hα-helixtrans-68.4-32.3179.6-56.10000113.3H73 R74 L75H73-T77 PolarHBondContact O-N 3.21Å; H73-T77 VanDerWaalsContact O-N 3.11Å; H73-T77 PolarHBondContact O-OG1 2.81Å; R74-T77 PolarHBondContact O-N 2.85Å; L75-T77 VanDerWaalsContact C-N 3.33Å; L75-T77 PolarHBondContact O-N 2.87Å
78V86.9Confident92.7Very high23 Ų2354.3 Ų54.314%0.13927%0.273CS..Hα-helixtrans-96.2-10.6-177.6-58.40000113.5R74 L75 H81 P83R74-V78 WeakPolarHBondContact O-CG2 3.29Å; R74-V78 PolarHBondContact O-N 3.29Å; L75-V78 WeakPolarHBondContact O-CG2 3.44Å; L75-V78 PolarHBondContact O-N 3.08Å; V78-H81 CarbonylContact O-C 3.45Å; V78-H81 VanDerWaalsContact O-C 3.24Å; V78-H81 WeakPolarHBondContact O-CA 3.3Å; V78-H81 PolarHBondContact O-N 2.94Å; V78-P83 HydrophobicContact CG2-CG 4.23Å
79F83.4Confident92.7Very high95 Ų9554.3 Ų54.342%0.41727%0.273SS..THydrogen-bonded Turntrans-62139178.9-172.4-90.4000111.5L75 L82L75-F79 WeakPolarHBondContact O-CB 3.45Å; L75-F79 PolarHBondContact O-N 3.39Å; F79-L82 HydrophobicContact CD2-CD2 4.4Å
80P84.1Confident92.9Very high84 Ų8447.5 Ų47.555%0.54524%0.243SC..THydrogen-bonded Turncis-86.3-1.63.735.5-36.4000114.6L82P80-L82 VanDerWaalsContact C-N 3.28Å; P80-L82 PolarHBondContact O-N 3.15Å
81H86.5Confident93.2Very high156 Ų15642.9 Ų42.972%0.72222%0.222SC*.SBendtrans-8369.8-177.5-59.6-61.6000111.9V78V78-H81 CarbonylContact O-C 3.45Å; V78-H81 VanDerWaalsContact O-C 3.24Å; V78-H81 WeakPolarHBondContact O-CA 3.3Å; V78-H81 PolarHBondContact O-N 2.94Å
82L87.6Confident93.4Very high36 Ų3643.4 Ų43.419%0.18822%0.224CC..PPolyproline II helixtrans-64.5140.4-176-66.4165.6000112.3W51 L75 F79 P80W51-L82 HydrophobicContact CB-CD1 4.47Å; W51-L82 HydrophobicContact CD2-CD1 3.13Å; W51-L82 HydrophobicContact CD2-CG 4.45Å; W51-L82 HydrophobicContact CE3-CD1 3.26Å; W51-L82 HydrophobicContact CG-CD1 3.71Å; W51-L82 HydrophobicContact CG-CD2 4.29Å; W51-L82 HydrophobicContact CH2-CD1 3.6Å; W51-L82 HydrophobicContact CZ2-CD1 3.51Å; W51-L82 HydrophobicContact CZ3-CD1 3.48Å; W51-L82 VanDerWaalsContact CZ3-CD1 3.48Å; L75-L82 HydrophobicContact CD2-CD2 3.87Å; F79-L82 HydrophobicContact CD2-CD2 4.4Å; P80-L82 VanDerWaalsContact C-N 3.28Å; P80-L82 PolarHBondContact O-N 3.15Å
83P91.9Very high93.5Very high15 Ų1543 Ų4310%0.09722%0.221CC..PPolyproline II helixtrans-58.1153.2168.8-20.430.5000111.1N22 V78 V87 L88 Y145N22-P83 PolarHBondContact ND2-O 3.21Å; V78-P83 HydrophobicContact CG2-CG 4.23Å; P83-V87 HydrophobicContact CB-CB 3.78Å; P83-V87 HydrophobicContact CB-CG1 3.66Å; P83-V87 HydrophobicContact CG-CG1 4.38Å; P83-L88 HydrophobicContact CB-CD2 3.95Å; P83-L88 HydrophobicContact CB-CG 4.26Å; P83-L88 HydrophobicContact CG-CD2 3.85Å; P83-Y145 HydrophobicContact CG-CD2 3.59Å; P83-Y145 HydrophobicContact CG-CE2 4.2Å; P83-Y145 HydrophobicContact CG-CG 3.8Å
84V96Very high93.7Very high56 Ų5637.1 Ų37.134%0.33919%0.194SC..PPolyproline II helixtrans-59.4150.4170.8-63.30000110E86 V87 L88 I138 K141V84-E86 HydrophobicContact CG2-CB 4.27Å; V84-E86 PolarHBondContact O-N 3.32Å; V84-V87 HydrophobicContact CG2-CB 4.22Å; V84-V87 HydrophobicContact CG2-CG2 3.63Å; V84-V87 PolarHBondContact O-N 3.26Å; V84-L88 PolarHBondContact O-N 3.02Å; V84-I138 HydrophobicContact CG2-CD1 3.87Å; V84-K141 HydrophobicContact CG2-CD 4.38Å
85T97.4Very high93.8Very high24 Ų2436.3 Ų36.315%0.14719%0.192CC..Hα-helixtrans-46.6-41.5-178.2-52.50000112.6I19 L21 N22 V87 L88 F89I19-T85 HydrophobicContact CG2-CG2 3.7Å; L21-T85 HydrophobicContact CD2-CG2 3.86Å; N22-T85 PolarHBondContact N-OG1 3.3Å; N22-T85 PolarHBondContact ND2-N 3.2Å; T85-V87 PolarHBondContact O-N 3.42Å; T85-L88 PolarHBondContact O-N 2.95Å; T85-F89 WeakPolarHBondContact O-CB 3.49Å; T85-F89 PolarHBondContact O-N 3.27Å
86E98.1Very high94Very high40 Ų4037.2 Ų37.219%0.18720%0.196CC..Hα-helixtrans-59.5-40.6179.7-175.4177-175.600113.2V84 F89 L90 H134 I138 W164V84-E86 HydrophobicContact CG2-CB 4.27Å; V84-E86 PolarHBondContact O-N 3.32Å; E86-F89 PolarHBondContact O-N 3.43Å; E86-L90 HydrophobicContact CG-CD1 3.93Å; E86-L90 WeakPolarHBondContact O-CB 3.45Å; E86-L90 VanDerWaalsContact O-CG 3.25Å; E86-L90 WeakPolarHBondContact O-CG 3.41Å; E86-L90 PolarHBondContact O-N 2.84Å; E86-H134 IonicContact OE1-CD2 3.62Å; E86-H134 IonicContact OE1-CE1 3.84Å; E86-H134 IonicContact OE1-NE2 3.46Å; E86-H134 PolarHBondContact OE1-NE2 2.91Å; E86-H134 IonicContact OE2-CE1 2.72Å; E86-H134 PolarHBondContact OE2-CE1 3.42Å; E86-H134 IonicContact OE2-NE2 3.95Å; E86-H134 PolarHBondContact OE2-NE2 3.14Å; E86-I138 HydrophobicContact CB-CD1 4.36Å; E86-I138 HydrophobicContact CG-CD1 4.19Å; E86-I138 VanDerWaalsContact OE2-CD1 3.29Å; E86-I138 WeakPolarHBondContact OE2-CD1 3.36Å; E86-W164 PolarHBondContact OE1-NE1 2.97Å
87V98Very high94.2Very high0 Ų033.7 Ų33.70%018%0.18CC..Hα-helixtrans-67.9-39.3178.3170.50000110.8P83 V84 T85 F89 G91 I138 K141 A142 Y145P83-V87 HydrophobicContact CB-CB 3.78Å; P83-V87 HydrophobicContact CB-CG1 3.66Å; P83-V87 HydrophobicContact CG-CG1 4.38Å; V84-V87 HydrophobicContact CG2-CB 4.22Å; V84-V87 HydrophobicContact CG2-CG2 3.63Å; V84-V87 PolarHBondContact O-N 3.26Å; T85-V87 PolarHBondContact O-N 3.42Å; V87-F89 VanDerWaalsContact C-N 3.35Å; V87-G91 PolarHBondContact O-N 2.96Å; V87-I138 HydrophobicContact CG2-CD1 4.13Å; V87-I138 HydrophobicContact CG2-CG2 4.25Å; V87-K141 HydrophobicContact CG2-CB 3.74Å; V87-A142 HydrophobicContact CG1-CB 4.21Å; V87-Y145 HydrophobicContact CG1-CD1 3.7Å; V87-Y145 HydrophobicContact CG1-CG 4.05Å
88L97.3Very high94.6Very high0 Ų031.3 Ų31.30%016%0.16CC..Hα-helixtrans-65.5-42175.7-58.8-178.4000110.9I19 L75 P83 V84 T85 G91 R92 Y145I19-L88 HydrophobicContact CD1-CB 3.27Å; I19-L88 HydrophobicContact CD1-CD1 4.2Å; I19-L88 HydrophobicContact CD1-CG 4.37Å; L75-L88 HydrophobicContact CD2-CD1 4.28Å; L75-L88 HydrophobicContact CD2-CD2 3.65Å; P83-L88 HydrophobicContact CB-CD2 3.95Å; P83-L88 HydrophobicContact CB-CG 4.26Å; P83-L88 HydrophobicContact CG-CD2 3.85Å; V84-L88 PolarHBondContact O-N 3.02Å; T85-L88 PolarHBondContact O-N 2.95Å; L88-G91 PolarHBondContact O-N 3.46Å; L88-R92 WeakPolarHBondContact O-CG 3.46Å; L88-R92 PolarHBondContact O-N 3.49Å; L88-R92 VanDerWaalsContact O-N 3.08Å; L88-Y145 HydrophobicContact CD2-CD1 4.47Å; L88-Y145 HydrophobicContact CD2-CD2 4.39Å; L88-Y145 HydrophobicContact CD2-CE1 3.86Å; L88-Y145 HydrophobicContact CD2-CE2 3.77Å; L88-Y145 VanDerWaalsContact CD2-CZ 3.47Å
89F98.5Very high95.1Very high0 Ų032.5 Ų32.50%016%0.163CC..Hα-helixtrans-62.1-49.8176.8-171.7-105.8000112.3V17 I19 T85 E86 V87 G91 R92 I93 S163 S167 M180 L182V17-F89 HydrophobicContact CB-CE2 4.16Å; V17-F89 HydrophobicContact CB-CZ 4.47Å; V17-F89 HydrophobicContact CG1-CD2 3.67Å; V17-F89 HydrophobicContact CG1-CE2 3.58Å; V17-F89 HydrophobicContact CG1-CG 4.43Å; V17-F89 HydrophobicContact CG1-CZ 4.26Å; I19-F89 HydrophobicContact CB-CD2 4Å; I19-F89 HydrophobicContact CG2-CB 4.03Å; I19-F89 HydrophobicContact CG2-CD2 3.56Å; I19-F89 HydrophobicContact CG2-CE2 4.45Å; I19-F89 HydrophobicContact CG2-CG 4.2Å; T85-F89 WeakPolarHBondContact O-CB 3.49Å; T85-F89 PolarHBondContact O-N 3.27Å; E86-F89 PolarHBondContact O-N 3.43Å; V87-F89 VanDerWaalsContact C-N 3.35Å; F89-G91 VanDerWaalsContact C-N 3.32Å; F89-G91 PolarHBondContact O-N 3.17Å; F89-R92 WeakPolarHBondContact O-CB 3.4Å; F89-R92 PolarHBondContact O-N 3.29Å; F89-I93 HydrophobicContact CD1-CD1 3.9Å; F89-I93 HydrophobicContact CE1-CD1 3.63Å; F89-I93 HydrophobicContact CZ-CD1 4.33Å; F89-I93 PolarHBondContact O-N 3.24Å; F89-I93 VanDerWaalsContact O-N 3.14Å; F89-S163 WeakPolarHBondContact CE1-OG 3.2Å; F89-S167 WeakPolarHBondContact CE1-OG 3.31Å; F89-M180 HydrophobicContact CB-SD 4.25Å; F89-M180 HydrophobicContact CD1-CE 3.62Å; F89-M180 HydrophobicContact CD1-SD 4.13Å; F89-M180 HydrophobicContact CD2-CE 4.4Å; F89-M180 HydrophobicContact CD2-CG 3.85Å; F89-M180 HydrophobicContact CD2-SD 4.19Å; F89-M180 HydrophobicContact CE1-CE 3.59Å; F89-M180 HydrophobicContact CE2-CE 4.36Å; F89-M180 HydrophobicContact CE2-CG 3.94Å; F89-M180 HydrophobicContact CG-CE 4.03Å; F89-M180 HydrophobicContact CG-CG 4.22Å; F89-M180 HydrophobicContact CG-SD 3.93Å; F89-M180 HydrophobicContact CZ-CE 3.96Å; F89-M180 HydrophobicContact CZ-CG 4.41Å; F89-L182 HydrophobicContact CE1-CB 4.33Å; F89-L182 HydrophobicContact CZ-CB 3.75Å
90L98.6Very high95.8Very high0 Ų029.2 Ų29.20%015%0.15CC..Hα-helixtrans-62.5-39.8176.3-69.7166.3000111.5E86 R92 I93 C94 I138 F156 I159E86-L90 HydrophobicContact CG-CD1 3.93Å; E86-L90 WeakPolarHBondContact O-CB 3.45Å; E86-L90 VanDerWaalsContact O-CG 3.25Å; E86-L90 WeakPolarHBondContact O-CG 3.41Å; E86-L90 PolarHBondContact O-N 2.84Å; L90-R92 VanDerWaalsContact C-N 3.32Å; L90-R92 PolarHBondContact O-N 3.47Å; L90-I93 WeakPolarHBondContact O-CB 3.32Å; L90-I93 PolarHBondContact O-N 3.35Å; L90-I93 VanDerWaalsContact O-N 3.08Å; L90-C94 PolarHBondContact O-N 3Å; L90-C94 PolarHBondContact O-SG 3.09Å; L90-I138 HydrophobicContact CD1-CG2 3.55Å; L90-F156 HydrophobicContact CB-CE2 4.12Å; L90-F156 HydrophobicContact CB-CZ 4.17Å; L90-F156 HydrophobicContact CD1-CZ 3.9Å; L90-I159 HydrophobicContact CD2-CG2 4.17Å
91G97.9Very high96.4Very high0 Ų029.5 Ų29.50%016%0.159CC..Hα-helixtrans-57.1-43.6174.400000112.7V87 L88 F89 I93 C94 D95V87-G91 PolarHBondContact O-N 2.96Å; L88-G91 PolarHBondContact O-N 3.46Å; F89-G91 VanDerWaalsContact C-N 3.32Å; F89-G91 PolarHBondContact O-N 3.17Å; G91-I93 VanDerWaalsContact C-N 3.34Å; G91-I93 PolarHBondContact O-N 3.06Å; G91-C94 PolarHBondContact O-N 3.24Å; G91-D95 PolarHBondContact O-N 3.42Å; G91-D95 VanDerWaalsContact O-OD2 3.09Å
92R97.7Very high97Very high12 Ų1228.3 Ų28.35%0.04515%0.153CC..Hα-helixtrans-62.9-37.9174.7-69.6174.6-175.3-149.9-7.4112.4V17 Y18 Y52 H67 E71 L88 F89 L90 K96V17-R92 HydrophobicContact CG1-CB 3.52Å; V17-R92 HydrophobicContact CG1-CG 4.38Å; V17-R92 HydrophobicContact CG2-CB 4.08Å; Y18-R92 PolarHBondContact O-NH1 3.18Å; Y52-R92 PolarHBondContact OH-NH2 3.32Å; Y52-R92 VanDerWaalsContact OH-NH2 3.07Å; H67-R92 PolarHBondContact CD2-NH1 2.8Å; H67-R92 VanDerWaalsContact CD2-NH1 3.27Å; H67-R92 PolarHBondContact CD2-NH2 3.09Å; H67-R92 PolarHBondContact CE1-NH1 3.39Å; H67-R92 PolarHBondContact NE2-NH1 3.23Å; H67-R92 PolarHBondContact NE2-NH2 2.74Å; E71-R92 IonicContact OE1-CZ 2.75Å; E71-R92 IonicContact OE1-NE 3.39Å; E71-R92 PolarHBondContact OE1-NE 3.19Å; E71-R92 IonicContact OE1-NH2 3.59Å; E71-R92 PolarHBondContact OE1-NH2 2.67Å; E71-R92 IonicContact OE2-CZ 3.37Å; E71-R92 IonicContact OE2-NE 3.21Å; E71-R92 PolarHBondContact OE2-NE 3.15Å; E71-R92 IonicContact OE2-NH2 3.69Å; E71-R92 PolarHBondContact OE2-NH2 3.13Å; L88-R92 WeakPolarHBondContact O-CG 3.46Å; L88-R92 PolarHBondContact O-N 3.49Å; L88-R92 VanDerWaalsContact O-N 3.08Å; F89-R92 WeakPolarHBondContact O-CB 3.4Å; F89-R92 PolarHBondContact O-N 3.29Å; L90-R92 VanDerWaalsContact C-N 3.32Å; L90-R92 PolarHBondContact O-N 3.47Å; R92-K96 WeakPolarHBondContact O-CB 3.49Å; R92-K96 PolarHBondContact O-N 2.89Å; R92-K96 VanDerWaalsContact O-N 3.11Å
93I98.6Very high97.4Very high0 Ų030.5 Ų30.50%017%0.165CC..Hα-helixtrans-63.6-50.7175.2-67.1170.2000109.8F16 V17 F89 L90 G91 D95 K96 L97 F115 I159 L182F16-I93 HydrophobicContact CE1-CG2 4.27Å; V17-I93 HydrophobicContact CB-CG1 4Å; V17-I93 HydrophobicContact CG1-CG1 4.28Å; V17-I93 HydrophobicContact CG2-CB 4.44Å; V17-I93 HydrophobicContact CG2-CG1 3.7Å; F89-I93 HydrophobicContact CD1-CD1 3.9Å; F89-I93 HydrophobicContact CE1-CD1 3.63Å; F89-I93 HydrophobicContact CZ-CD1 4.33Å; F89-I93 PolarHBondContact O-N 3.24Å; F89-I93 VanDerWaalsContact O-N 3.14Å; L90-I93 WeakPolarHBondContact O-CB 3.32Å; L90-I93 PolarHBondContact O-N 3.35Å; L90-I93 VanDerWaalsContact O-N 3.08Å; G91-I93 VanDerWaalsContact C-N 3.34Å; G91-I93 PolarHBondContact O-N 3.06Å; I93-D95 PolarHBondContact O-N 3.5Å; I93-K96 PolarHBondContact O-N 3.03Å; I93-L97 HydrophobicContact CG2-CD1 3.71Å; I93-L97 HydrophobicContact CG2-CG 4.22Å; I93-L97 WeakPolarHBondContact O-CG 3.35Å; I93-L97 PolarHBondContact O-N 2.91Å; I93-F115 HydrophobicContact CG2-CD2 4.49Å; I93-F115 HydrophobicContact CG2-CE2 3.68Å; I93-F115 HydrophobicContact CG2-CZ 3.87Å; I93-I159 HydrophobicContact CB-CG2 4.32Å; I93-I159 HydrophobicContact CG2-CG2 3.62Å; I93-L182 HydrophobicContact CD1-CD2 3.93Å; I93-L182 HydrophobicContact CG1-CD2 4.38Å
94C98.5Very high97.7Very high4 Ų431.3 Ų31.33%0.02718%0.177CC..Hα-helixtrans-60.7-42.4179.9-64.50000112.8L90 G91 K96 L97 R98 M146 P151L90-C94 PolarHBondContact O-N 3Å; L90-C94 PolarHBondContact O-SG 3.09Å; G91-C94 PolarHBondContact O-N 3.24Å; C94-K96 VanDerWaalsContact C-N 3.3Å; C94-K96 PolarHBondContact O-N 3.33Å; C94-L97 PolarHBondContact O-N 3.31Å; C94-R98 WeakPolarHBondContact O-CB 3.24Å; C94-R98 PolarHBondContact O-N 3.48Å; C94-M146 HydrophobicContact CB-CE 3.33Å; C94-P151 HydrophobicContact CB-CG 4.15Å
95D97.4Very high97.8Very high12 Ų1231 Ų316%0.06417%0.173CC..Hα-helixtrans-64.3-38.3177.4-67.3-33.1000111.9R74 G91 I93 R98 F99R74-D95 IonicContact CZ-OD2 3.62Å; R74-D95 IonicContact NH1-OD1 3.36Å; R74-D95 PolarHBondContact NH1-OD1 2.96Å; R74-D95 IonicContact NH1-OD2 3.19Å; R74-D95 PolarHBondContact NH1-OD2 2.93Å; R74-D95 IonicContact NH2-OD2 2.78Å; R74-D95 PolarHBondContact NH2-OD2 3.35Å; G91-D95 PolarHBondContact O-N 3.42Å; G91-D95 VanDerWaalsContact O-OD2 3.09Å; I93-D95 PolarHBondContact O-N 3.5Å; D95-R98 IonicContact OD1-NH1 2.63Å; D95-R98 PolarHBondContact OD1-NH1 2.96Å; D95-R98 IonicContact OD1-NH2 2.91Å; D95-F99 WeakPolarHBondContact O-CB 3.4Å; D95-F99 PolarHBondContact O-N 2.79Å
96K97.3Very high97.7Very high18 Ų1835 Ų358%0.07819%0.193CC..Hα-helixtrans-67.7-46.4177.1-176163.2-77.3-156.30111.6F16 R92 I93 C94 F99 I100 W109F16-K96 HydrophobicContact CD1-CD 4Å; F16-K96 HydrophobicContact CD2-CD 3.57Å; F16-K96 HydrophobicContact CD2-CG 4.42Å; F16-K96 HydrophobicContact CE1-CB 4.24Å; F16-K96 HydrophobicContact CE1-CD 3.79Å; F16-K96 HydrophobicContact CE1-CG 4.03Å; F16-K96 HydrophobicContact CE2-CD 3.36Å; F16-K96 HydrophobicContact CE2-CG 3.72Å; F16-K96 HydrophobicContact CG-CD 3.9Å; F16-K96 HydrophobicContact CZ-CB 4.07Å; F16-K96 HydrophobicContact CZ-CD 3.48Å; F16-K96 VanDerWaalsContact CZ-CD 3.48Å; F16-K96 HydrophobicContact CZ-CG 3.48Å; F16-K96 VanDerWaalsContact CZ-CG 3.48Å; F16-K96 VanDerWaalsContact O-CD 3.3Å; F16-K96 WeakPolarHBondContact O-CD 3.36Å; F16-K96 WeakPolarHBondContact O-CE 3.45Å; F16-K96 PolarHBondContact O-NZ 3.12Å; R92-K96 WeakPolarHBondContact O-CB 3.49Å; R92-K96 PolarHBondContact O-N 2.89Å; R92-K96 VanDerWaalsContact O-N 3.11Å; I93-K96 PolarHBondContact O-N 3.03Å; C94-K96 VanDerWaalsContact C-N 3.3Å; C94-K96 PolarHBondContact O-N 3.33Å; K96-F99 PolarHBondContact O-N 3.1Å; K96-I100 HydrophobicContact CG-CD1 4.24Å; K96-I100 WeakPolarHBondContact O-CG1 3.29Å; K96-I100 PolarHBondContact O-N 3.46Å; K96-W109 HydrophobicContact CB-CZ3 4.45Å; K96-W109 HydrophobicContact CD-CB 4.1Å; K96-W109 HydrophobicContact CD-CD2 3.59Å; K96-W109 HydrophobicContact CD-CE3 3.64Å; K96-W109 HydrophobicContact CD-CG 3.85Å; K96-W109 HydrophobicContact CD-CZ3 4.16Å; K96-W109 HydrophobicContact CG-CD2 3.88Å; K96-W109 HydrophobicContact CG-CE3 3.34Å; K96-W109 HydrophobicContact CG-CH2 4.2Å; K96-W109 HydrophobicContact CG-CZ3 3.53Å; K96-W109 VanDerWaalsContact NZ-CE2 3.27Å; K96-W109 VanDerWaalsContact NZ-CG 3.27Å; K96-W109 VanDerWaalsContact NZ-NE1 3.13Å
97L98Very high97.6Very high30 Ų3037.8 Ų37.816%0.15721%0.205CC..Hα-helixtrans-62.3-43176.8-69.6173.4000111.9F16 I93 C94 F99 I100 A101 F115 I159F16-L97 HydrophobicContact CE1-CD2 4.46Å; F16-L97 HydrophobicContact CZ-CD2 3.89Å; F16-L97 HydrophobicContact CZ-CG 4.28Å; I93-L97 HydrophobicContact CG2-CD1 3.71Å; I93-L97 HydrophobicContact CG2-CG 4.22Å; I93-L97 WeakPolarHBondContact O-CG 3.35Å; I93-L97 PolarHBondContact O-N 2.91Å; C94-L97 PolarHBondContact O-N 3.31Å; L97-F99 VanDerWaalsContact C-N 3.34Å; L97-F99 PolarHBondContact O-N 3.22Å; L97-I100 PolarHBondContact O-N 2.62Å; L97-A101 PolarHBondContact O-N 2.99Å; L97-F115 HydrophobicContact CD1-CD1 3.86Å; L97-F115 HydrophobicContact CD1-CE1 3.64Å; L97-F115 HydrophobicContact CD1-CE2 4.44Å; L97-F115 HydrophobicContact CD1-CG 4.38Å; L97-F115 HydrophobicContact CD1-CZ 3.97Å; L97-F115 HydrophobicContact CD2-CB 3.84Å; L97-F115 HydrophobicContact CD2-CD1 3.71Å; L97-F115 HydrophobicContact CD2-CD2 4.35Å; L97-F115 HydrophobicContact CD2-CE1 4.35Å; L97-F115 HydrophobicContact CD2-CG 3.71Å; L97-F115 HydrophobicContact CG-CD1 4.41Å; L97-I159 HydrophobicContact CD1-CD1 3.71Å; L97-I159 HydrophobicContact CD1-CG1 3.82Å
98R97.5Very high97.5Very high53 Ų5341.3 Ų41.320%0.223%0.23CC..Hα-helixtrans-59.8-45.4174.6-172.2-173.3-52115.718.7111.6C94 D95 I100 A101 E102 K149C94-R98 WeakPolarHBondContact O-CB 3.24Å; C94-R98 PolarHBondContact O-N 3.48Å; D95-R98 IonicContact OD1-NH1 2.63Å; D95-R98 PolarHBondContact OD1-NH1 2.96Å; D95-R98 IonicContact OD1-NH2 2.91Å; R98-I100 VanDerWaalsContact C-N 3.32Å; R98-I100 PolarHBondContact O-N 3.01Å; R98-A101 PolarHBondContact O-N 3.1Å; R98-E102 WeakPolarHBondContact CD-OE1 3.34Å; R98-E102 HydrophobicContact CG-CG 4.32Å; R98-E102 VanDerWaalsContact CG-OE1 3.28Å; R98-E102 WeakPolarHBondContact CG-OE1 3.42Å; R98-E102 WeakPolarHBondContact O-CB 3.38Å; R98-E102 WeakPolarHBondContact O-CG 3.37Å; R98-E102 PolarHBondContact O-N 3.25Å; R98-K149 PolarHBondContact NH2-O 2.84Å
99F97.1Very high97.5Very high48 Ų4844 Ų4421%0.21124%0.24CC..Hα-helixtrans-60.2-43178.1-176-84.1000111.8D95 K96 L97 E102 N103 I106 H107 W109D95-F99 WeakPolarHBondContact O-CB 3.4Å; D95-F99 PolarHBondContact O-N 2.79Å; K96-F99 PolarHBondContact O-N 3.1Å; L97-F99 VanDerWaalsContact C-N 3.34Å; L97-F99 PolarHBondContact O-N 3.22Å; F99-E102 PolarHBondContact O-N 2.98Å; F99-N103 HydrophobicContact CD1-CB 4.4Å; F99-N103 HydrophobicContact CE1-CB 4.11Å; F99-N103 HydrophobicContact CZ-CB 4.27Å; F99-N103 WeakPolarHBondContact O-CB 3.48Å; F99-N103 PolarHBondContact O-N 3.37Å; F99-N103 PolarHBondContact O-ND2 3.08Å; F99-I106 HydrophobicContact CE1-CD1 3.9Å; F99-I106 HydrophobicContact CE1-CG1 3.76Å; F99-I106 HydrophobicContact CZ-CD1 3.82Å; F99-I106 HydrophobicContact CZ-CG1 4.21Å; F99-H107 AromaticContact CE1-CD2 3.63Å; F99-H107 AromaticContact CE1-NE2 3.89Å; F99-H107 AromaticContact CZ-CD2 3.98Å; F99-H107 AromaticContact CZ-NE2 3.75Å; F99-W109 HydrophobicContact CB-CH2 4.41Å; F99-W109 HydrophobicContact CB-CZ3 4.07Å; F99-W109 HydrophobicContact CD1-CE3 4.46Å; F99-W109 AromaticContact CD1-CH2 3.7Å; F99-W109 HydrophobicContact CD1-CH2 3.7Å; F99-W109 AromaticContact CD1-CZ3 3.4Å; F99-W109 HydrophobicContact CD1-CZ3 3.4Å; F99-W109 HydrophobicContact CE1-CH2 4.14Å; F99-W109 HydrophobicContact CE1-CZ3 4.11Å; F99-W109 HydrophobicContact CG-CH2 4.08Å; F99-W109 AromaticContact CG-CZ3 3.96Å; F99-W109 HydrophobicContact CG-CZ3 3.96Å
100I97.9Very high97.4Very high26 Ų2645.9 Ų45.913%0.13325%0.249CC..Hα-helixtrans-62.4-43.4175.4-67.4166.2000110.7F16 K96 L97 R98 E102 G104 D105 W109 E110F16-I100 HydrophobicContact CE2-CD1 3.85Å; F16-I100 HydrophobicContact CZ-CD1 4.15Å; K96-I100 HydrophobicContact CG-CD1 4.24Å; K96-I100 WeakPolarHBondContact O-CG1 3.29Å; K96-I100 PolarHBondContact O-N 3.46Å; L97-I100 PolarHBondContact O-N 2.62Å; R98-I100 VanDerWaalsContact C-N 3.32Å; R98-I100 PolarHBondContact O-N 3.01Å; I100-E102 VanDerWaalsContact C-N 3.34Å; I100-E102 PolarHBondContact O-N 2.72Å; I100-G104 CarbonylContact O-C 3.56Å; I100-G104 WeakPolarHBondContact O-CA 3.21Å; I100-G104 PolarHBondContact O-N 3.02Å; I100-D105 HydrophobicContact CG2-CB 4.37Å; I100-W109 HydrophobicContact CD1-CE3 3.97Å; I100-W109 HydrophobicContact CG1-CE3 3.79Å; I100-W109 HydrophobicContact CG1-CZ3 4.17Å; I100-E110 HydrophobicContact CD1-CG 4.03Å
101A97.3Very high97.3Very high89 Ų8954.1 Ų54.174%0.73629%0.285SS*.Hα-helixtrans-63.4-38.7178.400000112.6L97 R98L97-A101 PolarHBondContact O-N 2.99Å; R98-A101 PolarHBondContact O-N 3.1Å
102E97.6Very high97.2Very high131 Ų13157 Ų5761%0.61230%0.298SS*.Hα-helixtrans-81-31.7-178.1-71.1171178.600113.6R98 F99 I100R98-E102 WeakPolarHBondContact CD-OE1 3.34Å; R98-E102 HydrophobicContact CG-CG 4.32Å; R98-E102 VanDerWaalsContact CG-OE1 3.28Å; R98-E102 WeakPolarHBondContact CG-OE1 3.42Å; R98-E102 WeakPolarHBondContact O-CB 3.38Å; R98-E102 WeakPolarHBondContact O-CG 3.37Å; R98-E102 PolarHBondContact O-N 3.25Å; F99-E102 PolarHBondContact O-N 2.98Å; I100-E102 VanDerWaalsContact C-N 3.34Å; I100-E102 PolarHBondContact O-N 2.72Å
103N97.9Very high97.1Very high82 Ų8259.5 Ų59.544%0.43931%0.308SS..Hα-helixtrans-125.4-6.7-168-54.3-89.2000114F99 I106F99-N103 HydrophobicContact CD1-CB 4.4Å; F99-N103 HydrophobicContact CE1-CB 4.11Å; F99-N103 HydrophobicContact CZ-CB 4.27Å; F99-N103 WeakPolarHBondContact O-CB 3.48Å; F99-N103 PolarHBondContact O-N 3.37Å; F99-N103 PolarHBondContact O-ND2 3.08Å; N103-I106 WeakPolarHBondContact O-CG2 3.24Å
104G97.3Very high97.1Very high33 Ų3361 Ų6134%0.3432%0.318SS..  trans73.8173.4-164.400000112.9I100 I106I100-G104 CarbonylContact O-C 3.56Å; I100-G104 WeakPolarHBondContact O-CA 3.21Å; I100-G104 PolarHBondContact O-N 3.02Å; G104-I106 PolarHBondContact O-N 3.37Å
105D97.1Very high97.1Very high48 Ų4861.3 Ų61.326%0.25732%0.319SS..SBendtrans-80.555.5178.8-170.926.8000113.1I100 H107 S108 W109 E110I100-D105 HydrophobicContact CG2-CB 4.37Å; D105-H107 PolarHBondContact O-N 3.23Å; D105-H107 VanDerWaalsContact O-N 3.1Å; D105-S108 PolarHBondContact O-N 3.03Å; D105-S108 PolarHBondContact OD1-N 2.99Å; D105-S108 VanDerWaalsContact OD2-C 3.29Å; D105-S108 WeakPolarHBondContact OD2-CA 3.37Å; D105-W109 PolarHBondContact OD1-N 3.11Å; D105-W109 PolarHBondContact OD2-N 3.45Å; D105-W109 VanDerWaalsContact OD2-N 3.13Å; D105-E110 WeakPolarHBondContact OD2-CA 3.34Å; D105-E110 WeakPolarHBondContact OD2-CB 3.23Å; D105-E110 PolarHBondContact OD2-N 3.37Å
106I96.9Very high97.1Very high109 Ų10964.4 Ų64.456%0.55934%0.342SS*.THydrogen-bonded Turntrans-63.1-17.9-178.162.6167.5000113.7F99 N103 G104F99-I106 HydrophobicContact CE1-CD1 3.9Å; F99-I106 HydrophobicContact CE1-CG1 3.76Å; F99-I106 HydrophobicContact CZ-CD1 3.82Å; F99-I106 HydrophobicContact CZ-CG1 4.21Å; N103-I106 WeakPolarHBondContact O-CG2 3.24Å; G104-I106 PolarHBondContact O-N 3.37Å
107H94.7Very high97.1Very high98 Ų9867.9 Ų67.945%0.45436%0.361SS..THydrogen-bonded Turntrans-98.21.4178.1-67.4-41.7000112.9F99 D105 W109F99-H107 AromaticContact CE1-CD2 3.63Å; F99-H107 AromaticContact CE1-NE2 3.89Å; F99-H107 AromaticContact CZ-CD2 3.98Å; F99-H107 AromaticContact CZ-NE2 3.75Å; D105-H107 PolarHBondContact O-N 3.23Å; D105-H107 VanDerWaalsContact O-N 3.1Å; H107-W109 HydrophobicContact CB-CD2 3.82Å; H107-W109 HydrophobicContact CB-CE3 4.42Å; H107-W109 HydrophobicContact CB-CG 4.12Å; H107-W109 HydrophobicContact CB-CZ2 4.02Å; H107-W109 AromaticContact CD2-CE2 3.97Å; H107-W109 AromaticContact CD2-CH2 3.7Å; H107-W109 AromaticContact CD2-CZ2 3.48Å; H107-W109 VanDerWaalsContact CD2-CZ2 3.48Å; H107-W109 WeakPolarHBondContact CD2-CZ2 3.33Å; H107-W109 PolarHBondContact O-N 3.13Å
108S96.2Very high97.1Very high74 Ų7466.6 Ų66.652%0.51735%0.354SS..  trans54.537.1-179.4-52.70000112.6D105 E110 K111D105-S108 PolarHBondContact O-N 3.03Å; D105-S108 PolarHBondContact OD1-N 2.99Å; D105-S108 VanDerWaalsContact OD2-C 3.29Å; D105-S108 WeakPolarHBondContact OD2-CA 3.37Å; S108-E110 PolarHBondContact O-N 3.36Å; S108-K111 VanDerWaalsContact O-CB 3.28Å; S108-K111 WeakPolarHBondContact O-CB 3.45Å; S108-K111 PolarHBondContact O-N 3.08Å
109W96.8Very high97.1Very high56 Ų5669 Ų6921%0.21237%0.369CS..THydrogen-bonded Turntrans-65.7-25.7176.1-67.3-34.1000112F16 K96 F99 I100 D105 H107F16-W109 HydrophobicContact CD2-CB 3.95Å; F16-W109 HydrophobicContact CE2-CB 4.06Å; K96-W109 HydrophobicContact CB-CZ3 4.45Å; K96-W109 HydrophobicContact CD-CB 4.1Å; K96-W109 HydrophobicContact CD-CD2 3.59Å; K96-W109 HydrophobicContact CD-CE3 3.64Å; K96-W109 HydrophobicContact CD-CG 3.85Å; K96-W109 HydrophobicContact CD-CZ3 4.16Å; K96-W109 HydrophobicContact CG-CD2 3.88Å; K96-W109 HydrophobicContact CG-CE3 3.34Å; K96-W109 HydrophobicContact CG-CH2 4.2Å; K96-W109 HydrophobicContact CG-CZ3 3.53Å; K96-W109 VanDerWaalsContact NZ-CE2 3.27Å; K96-W109 VanDerWaalsContact NZ-CG 3.27Å; K96-W109 VanDerWaalsContact NZ-NE1 3.13Å; F99-W109 HydrophobicContact CB-CH2 4.41Å; F99-W109 HydrophobicContact CB-CZ3 4.07Å; F99-W109 HydrophobicContact CD1-CE3 4.46Å; F99-W109 AromaticContact CD1-CH2 3.7Å; F99-W109 HydrophobicContact CD1-CH2 3.7Å; F99-W109 AromaticContact CD1-CZ3 3.4Å; F99-W109 HydrophobicContact CD1-CZ3 3.4Å; F99-W109 HydrophobicContact CE1-CH2 4.14Å; F99-W109 HydrophobicContact CE1-CZ3 4.11Å; F99-W109 HydrophobicContact CG-CH2 4.08Å; F99-W109 AromaticContact CG-CZ3 3.96Å; F99-W109 HydrophobicContact CG-CZ3 3.96Å; I100-W109 HydrophobicContact CD1-CE3 3.97Å; I100-W109 HydrophobicContact CG1-CE3 3.79Å; I100-W109 HydrophobicContact CG1-CZ3 4.17Å; D105-W109 PolarHBondContact OD1-N 3.11Å; D105-W109 PolarHBondContact OD2-N 3.45Å; D105-W109 VanDerWaalsContact OD2-N 3.13Å; H107-W109 HydrophobicContact CB-CD2 3.82Å; H107-W109 HydrophobicContact CB-CE3 4.42Å; H107-W109 HydrophobicContact CB-CG 4.12Å; H107-W109 HydrophobicContact CB-CZ2 4.02Å; H107-W109 AromaticContact CD2-CE2 3.97Å; H107-W109 AromaticContact CD2-CH2 3.7Å; H107-W109 AromaticContact CD2-CZ2 3.48Å; H107-W109 VanDerWaalsContact CD2-CZ2 3.48Å; H107-W109 WeakPolarHBondContact CD2-CZ2 3.33Å; H107-W109 PolarHBondContact O-N 3.13Å
110E97.5Very high97.1Very high40 Ų4068.7 Ų68.719%0.18737%0.37CS..THydrogen-bonded Turntrans-100.119.4177.4-56.6-157.3136.500112.8F16 I100 D105 S108 E112 R113 S114 F115 L184F16-E110 HydrophobicContact CE2-CG 4.24Å; I100-E110 HydrophobicContact CD1-CG 4.03Å; D105-E110 WeakPolarHBondContact OD2-CA 3.34Å; D105-E110 WeakPolarHBondContact OD2-CB 3.23Å; D105-E110 PolarHBondContact OD2-N 3.37Å; S108-E110 PolarHBondContact O-N 3.36Å; E110-E112 PolarHBondContact O-N 3.06Å; E110-E112 VanDerWaalsContact O-N 3.08Å; E110-R113 CarbonylContact C-O 3.53Å; E110-R113 WeakPolarHBondContact CA-O 3.4Å; E110-R113 CarbonylContact O-C 3.59Å; E110-R113 PolarHBondContact O-N 3.19Å; E110-S114 VanDerWaalsContact CD-OG 3.28Å; E110-S114 PolarHBondContact OE1-OG 3.42Å; E110-S114 WeakPolarHBondContact OE2-CB 3.5Å; E110-S114 PolarHBondContact OE2-OG 2.86Å; E110-F115 VanDerWaalsContact OE1-CB 3.26Å; E110-F115 WeakPolarHBondContact OE1-CB 3.44Å; E110-F115 PolarHBondContact OE1-N 3.04Å; E110-L184 HydrophobicContact CB-CD1 4.48Å; E110-L184 HydrophobicContact CG-CD1 4.19Å
111K95.7Very high97.1Very high173 Ų17369 Ų6975%0.75237%0.37SS*.SBendtrans-51.2-36.5-179177-179175.1-1750113.9S108S108-K111 VanDerWaalsContact O-CB 3.28Å; S108-K111 WeakPolarHBondContact O-CB 3.45Å; S108-K111 PolarHBondContact O-N 3.08Å
112E95.3Very high97.2Very high61 Ų6165.2 Ų65.229%0.28534%0.339SS..SBendtrans-82-46.9-177.8-71.3-71.5171.300111.2K10 F12 E110 L184 K188K10-E112 IonicContact NZ-OE1 3.22Å; K10-E112 PolarHBondContact NZ-OE1 3.29Å; F12-E112 HydrophobicContact CE1-CG 4.35Å; E110-E112 PolarHBondContact O-N 3.06Å; E110-E112 VanDerWaalsContact O-N 3.08Å; E112-L184 HydrophobicContact CB-CB 4.48Å; E112-K188 VanDerWaalsContact C-NZ 3.3Å; E112-K188 WeakPolarHBondContact O-CE 3.45Å; E112-K188 PolarHBondContact O-NZ 2.99Å; E112-K188 IonicContact OE2-NZ 2.67Å; E112-K188 PolarHBondContact OE2-NZ 3.27Å
113R96.7Very high97.2Very high65 Ų6565.3 Ų65.325%0.24534%0.34CS..SBendtrans-165.7166.9174.363.6-173.9-63.3177.24.1108.2E110 D117 L184E110-R113 CarbonylContact C-O 3.53Å; E110-R113 WeakPolarHBondContact CA-O 3.4Å; E110-R113 CarbonylContact O-C 3.59Å; E110-R113 PolarHBondContact O-N 3.19Å; R113-D117 PolarHBondContact NH2-O 3.43Å; R113-L184 WeakPolarHBondContact CD-O 3.26Å; R113-L184 HydrophobicContact CG-CB 3.93Å; R113-L184 VanDerWaalsContact CG-O 3.29Å; R113-L184 WeakPolarHBondContact CG-O 3.44Å; R113-L184 WeakPolarHBondContact O-CD1 3.34Å
114S97.7Very high97.2Very high31 Ų3164.5 Ų64.522%0.21733%0.333CS..  trans-77.4150.9174.8-171.90000111.8E110 S116 D117E110-S114 VanDerWaalsContact CD-OG 3.28Å; E110-S114 PolarHBondContact OE1-OG 3.42Å; E110-S114 WeakPolarHBondContact OE2-CB 3.5Å; E110-S114 PolarHBondContact OE2-OG 2.86Å; S114-S116 WeakPolarHBondContact CB-OG 3.39Å; S114-S116 PolarHBondContact O-N 2.97Å; S114-S116 PolarHBondContact OG-N 3.14Å; S114-S116 PolarHBondContact OG-OG 3.46Å; S114-S116 VanDerWaalsContact OG-OG 3.12Å; S114-D117 PolarHBondContact N-OD2 3.08Å; S114-D117 WeakPolarHBondContact O-CB 3.49Å; S114-D117 PolarHBondContact O-N 3.31Å
115F98.5Very high97.2Very high11 Ų1163 Ų635%0.04832%0.317CS..G310 helixtrans-58.7-34.4169.7179.6-88.8000111.4F16 I93 L97 E110 D117 L118 I159 K162 L182F16-F115 HydrophobicContact CD1-CD2 4.35Å; F16-F115 AromaticContact CE1-CD2 3.94Å; F16-F115 HydrophobicContact CE1-CD2 3.94Å; F16-F115 HydrophobicContact CE1-CE2 4.5Å; F16-F115 HydrophobicContact CZ-CB 4.46Å; F16-F115 HydrophobicContact CZ-CD2 4.38Å; I93-F115 HydrophobicContact CG2-CD2 4.49Å; I93-F115 HydrophobicContact CG2-CE2 3.68Å; I93-F115 HydrophobicContact CG2-CZ 3.87Å; L97-F115 HydrophobicContact CD1-CD1 3.86Å; L97-F115 HydrophobicContact CD1-CE1 3.64Å; L97-F115 HydrophobicContact CD1-CE2 4.44Å; L97-F115 HydrophobicContact CD1-CG 4.38Å; L97-F115 HydrophobicContact CD1-CZ 3.97Å; L97-F115 HydrophobicContact CD2-CB 3.84Å; L97-F115 HydrophobicContact CD2-CD1 3.71Å; L97-F115 HydrophobicContact CD2-CD2 4.35Å; L97-F115 HydrophobicContact CD2-CE1 4.35Å; L97-F115 HydrophobicContact CD2-CG 3.71Å; L97-F115 HydrophobicContact CG-CD1 4.41Å; E110-F115 VanDerWaalsContact OE1-CB 3.26Å; E110-F115 WeakPolarHBondContact OE1-CB 3.44Å; E110-F115 PolarHBondContact OE1-N 3.04Å; F115-D117 PolarHBondContact O-N 3.45Å; F115-L118 HydrophobicContact CD2-CD1 3.75Å; F115-L118 HydrophobicContact CE2-CD1 4.01Å; F115-L118 HydrophobicContact CG-CD1 4.29Å; F115-L118 WeakPolarHBondContact O-CB 3.43Å; F115-L118 WeakPolarHBondContact O-CG 3.46Å; F115-L118 PolarHBondContact O-N 3.24Å; F115-I159 HydrophobicContact CE1-CG1 4.17Å; F115-I159 HydrophobicContact CZ-CB 4.47Å; F115-I159 HydrophobicContact CZ-CG1 4.28Å; F115-I159 HydrophobicContact CZ-CG2 4.3Å; F115-K162 HydrophobicContact CD1-CD 4.1Å; F115-K162 HydrophobicContact CE1-CB 4.34Å; F115-K162 HydrophobicContact CE1-CD 3.63Å; F115-K162 HydrophobicContact CE2-CB 4.4Å; F115-K162 HydrophobicContact CZ-CB 3.88Å; F115-K162 HydrophobicContact CZ-CD 4.08Å; F115-L182 HydrophobicContact CD2-CD2 3.91Å; F115-L182 HydrophobicContact CE2-CD2 3.6Å
116S97.5Very high97.3Very high77 Ų7765.6 Ų65.654%0.53832%0.324SS..G310 helixtrans-59.3-32.6178.358.30000112.6S114 L118 K162S114-S116 WeakPolarHBondContact CB-OG 3.39Å; S114-S116 PolarHBondContact O-N 2.97Å; S114-S116 PolarHBondContact OG-N 3.14Å; S114-S116 PolarHBondContact OG-OG 3.46Å; S114-S116 VanDerWaalsContact OG-OG 3.12Å; S116-L118 PolarHBondContact O-N 2.95Å; S116-K162 PolarHBondContact O-NZ 3.48Å
117D97.5Very high97.3Very high90 Ų9067.1 Ų67.148%0.48133%0.328SS..G310 helixtrans-73.2-13.1-176.6-56.7-28.6000113.1R113 S114 F115R113-D117 PolarHBondContact NH2-O 3.43Å; S114-D117 PolarHBondContact N-OD2 3.08Å; S114-D117 WeakPolarHBondContact O-CB 3.49Å; S114-D117 PolarHBondContact O-N 3.31Å; F115-D117 PolarHBondContact O-N 3.45Å
118L98.5Very high97.4Very high3 Ų364.6 Ų64.62%0.01632%0.32CS..SBendtrans-65140.8-177.8-65178000111.2F115 S116 D120 K162 N166 L182 L184 S187F115-L118 HydrophobicContact CD2-CD1 3.75Å; F115-L118 HydrophobicContact CE2-CD1 4.01Å; F115-L118 HydrophobicContact CG-CD1 4.29Å; F115-L118 WeakPolarHBondContact O-CB 3.43Å; F115-L118 WeakPolarHBondContact O-CG 3.46Å; F115-L118 PolarHBondContact O-N 3.24Å; S116-L118 PolarHBondContact O-N 2.95Å; L118-D120 PolarHBondContact O-N 3.46Å; L118-K162 HydrophobicContact CB-CB 4.14Å; L118-K162 HydrophobicContact CB-CD 4.08Å; L118-K162 HydrophobicContact CB-CG 4.09Å; L118-K162 HydrophobicContact CD1-CB 4.24Å; L118-K162 PolarHBondContact O-NZ 3.23Å; L118-N166 HydrophobicContact CD1-CB 4.29Å; L118-N166 HydrophobicContact CD2-CB 4.13Å; L118-L182 HydrophobicContact CD1-CD1 3.98Å; L118-L182 HydrophobicContact CD1-CD2 4.17Å; L118-L184 HydrophobicContact CD1-CD2 3.72Å; L118-L184 HydrophobicContact CD2-CD2 3.85Å; L118-L184 HydrophobicContact CG-CD2 3.95Å; L118-S187 WeakPolarHBondContact CD2-OG 3.12Å
119M97.5Very high97.5Very high103 Ų10367.5 Ų67.551%0.50733%0.325SS..  trans-65131.7172.4-178.359.370.100110.2H121 I165 N166M119-H121 WeakPolarHBondContact CG-CD2 3.28Å; M119-H121 WeakPolarHBondContact CG-NE2 3.3Å; M119-I165 HydrophobicContact CB-CG2 4.31Å; M119-I165 HydrophobicContact CG-CG2 4.34Å; M119-N166 PolarHBondContact O-ND2 3.15Å
120D97.6Very high97.5Very high42 Ų4272.4 Ų72.423%0.22535%0.35CS..  trans-104.6-30.117847.157.3000113.8L118 A122 I125 C161 K162 I165L118-D120 PolarHBondContact O-N 3.46Å; D120-A122 HydrophobicContact CB-CB 4.2Å; D120-A122 PolarHBondContact O-N 2.95Å; D120-A122 WeakPolarHBondContact OD1-CB 3.44Å; D120-A122 PolarHBondContact OD1-N 3.49Å; D120-I125 WeakPolarHBondContact O-CD1 3.35Å; D120-C161 HydrophobicContact CB-CB 3.75Å; D120-C161 WeakPolarHBondContact O-CB 3.39Å; D120-K162 HydrophobicContact CB-CG 3.71Å; D120-K162 IonicContact OD2-NZ 3.71Å; D120-K162 PolarHBondContact OD2-NZ 3.14Å; D120-I165 WeakPolarHBondContact O-CG1 3.07Å
121H97.9Very high97.5Very high33 Ų3373 Ų7315%0.15335%0.353CS..  trans4836.5-167.7-70.1-69.4000112.1M119 Q123 E124 I125 I165 W245 Y246M119-H121 WeakPolarHBondContact CG-CD2 3.28Å; M119-H121 WeakPolarHBondContact CG-NE2 3.3Å; H121-Q123 PolarHBondContact O-N 3.49Å; H121-E124 VanDerWaalsContact C-OE2 3.26Å; H121-E124 VanDerWaalsContact CA-OE2 3.23Å; H121-E124 WeakPolarHBondContact CA-OE2 3.15Å; H121-E124 WeakPolarHBondContact CB-OE2 3.41Å; H121-E124 IonicContact CE1-OE1 2.71Å; H121-E124 IonicContact CG-OE1 3.61Å; H121-E124 IonicContact CG-OE2 3.83Å; H121-E124 IonicContact ND1-OE1 2.74Å; H121-E124 PolarHBondContact ND1-OE1 3.23Å; H121-E124 IonicContact ND1-OE2 3.05Å; H121-E124 PolarHBondContact O-N 2.9Å; H121-I125 VanDerWaalsContact O-CG1 3.29Å; H121-I125 WeakPolarHBondContact O-CG1 3.45Å; H121-I125 PolarHBondContact O-N 2.98Å; H121-I165 HydrophobicContact CB-CD1 4.21Å; H121-I165 HydrophobicContact CB-CG1 4.31Å; H121-W245 PolarHBondContact NE2-O 3.49Å; H121-Y246 HydrophobicContact CB-CD2 3.52Å; H121-Y246 HydrophobicContact CB-CE2 3.73Å; H121-Y246 HydrophobicContact CB-CG 4.37Å; H121-Y246 AromaticContact CD2-CD2 3.84Å; H121-Y246 AromaticContact CG-CD2 3.54Å
122A98.3Very high97.7Very high10 Ų1066.7 Ų66.78%0.08333%0.326CS..Hα-helixtrans-59.9-36.2-173.900000111.7D120 R126 F157 I158D120-A122 HydrophobicContact CB-CB 4.2Å; D120-A122 PolarHBondContact O-N 2.95Å; D120-A122 WeakPolarHBondContact OD1-CB 3.44Å; D120-A122 PolarHBondContact OD1-N 3.49Å; A122-R126 VanDerWaalsContact O-CG 3.25Å; A122-R126 WeakPolarHBondContact O-CG 3.17Å; A122-R126 PolarHBondContact O-N 3.36Å; A122-F157 HydrophobicContact CB-CE1 3.98Å; A122-I158 HydrophobicContact CB-CD1 3.76Å
123Q98.1Very high97.8Very high132 Ų13269.6 Ų69.662%0.61734%0.338SS*.Hα-helixtrans-64.4-51.9178.1-177.6179-1100111.4H121 I125 R126 E127H121-Q123 PolarHBondContact O-N 3.49Å; Q123-I125 PolarHBondContact O-N 3.41Å; Q123-R126 WeakPolarHBondContact O-CB 3.04Å; Q123-R126 PolarHBondContact O-N 3.03Å; Q123-R126 VanDerWaalsContact O-N 3.12Å; Q123-E127 WeakPolarHBondContact CG-OE1 3.46Å; Q123-E127 PolarHBondContact NE2-OE1 3.14Å; Q123-E127 WeakPolarHBondContact O-CG 3.36Å; Q123-E127 PolarHBondContact O-N 3.29Å; Q123-E127 VanDerWaalsContact O-N 3.09Å
124E98.2Very high97.9Very high65 Ų6570 Ų7030%0.30434%0.343SS..Hα-helixtrans-65.2-31.5-178.2-58.292.814200111.8H121 T128 Y246H121-E124 VanDerWaalsContact C-OE2 3.26Å; H121-E124 VanDerWaalsContact CA-OE2 3.23Å; H121-E124 WeakPolarHBondContact CA-OE2 3.15Å; H121-E124 WeakPolarHBondContact CB-OE2 3.41Å; H121-E124 IonicContact CE1-OE1 2.71Å; H121-E124 IonicContact CG-OE1 3.61Å; H121-E124 IonicContact CG-OE2 3.83Å; H121-E124 IonicContact ND1-OE1 2.74Å; H121-E124 PolarHBondContact ND1-OE1 3.23Å; H121-E124 IonicContact ND1-OE2 3.05Å; H121-E124 PolarHBondContact O-N 2.9Å; E124-T128 PolarHBondContact O-N 3.15Å; E124-T128 PolarHBondContact O-OG1 2.96Å; E124-Y246 HydrophobicContact CB-CD1 3.61Å; E124-Y246 HydrophobicContact CB-CD2 4.4Å; E124-Y246 HydrophobicContact CB-CE1 3.34Å; E124-Y246 HydrophobicContact CB-CE2 4.18Å; E124-Y246 HydrophobicContact CB-CG 4.11Å; E124-Y246 HydrophobicContact CG-CD1 3.99Å; E124-Y246 HydrophobicContact CG-CE1 4.23Å; E124-Y246 HydrophobicContact CG-CG 4.3Å
125I97.9Very high97.9Very high1 Ų168.8 Ų68.81%0.00533%0.333CS..Hα-helixtrans-67.8-44.1173.4-69.4166.9000110.8D120 H121 Q123 E127 T128 K131 F157 C161 W164 Y246D120-I125 WeakPolarHBondContact O-CD1 3.35Å; H121-I125 VanDerWaalsContact O-CG1 3.29Å; H121-I125 WeakPolarHBondContact O-CG1 3.45Å; H121-I125 PolarHBondContact O-N 2.98Å; Q123-I125 PolarHBondContact O-N 3.41Å; I125-E127 VanDerWaalsContact C-N 3.26Å; I125-E127 PolarHBondContact O-N 3.05Å; I125-T128 PolarHBondContact O-N 3.45Å; I125-K131 HydrophobicContact CG1-CD 4.21Å; I125-K131 HydrophobicContact CG2-CB 4.12Å; I125-F157 HydrophobicContact CB-CZ 4.29Å; I125-F157 HydrophobicContact CG2-CE2 3.9Å; I125-F157 HydrophobicContact CG2-CZ 3.78Å; I125-C161 HydrophobicContact CD1-CB 3.82Å; I125-C161 VanDerWaalsContact CD1-SG 3.51Å; I125-W164 HydrophobicContact CD1-CE3 4.08Å; I125-W164 HydrophobicContact CG2-CE3 4.37Å; I125-W164 HydrophobicContact CG2-CZ3 3.88Å; I125-Y246 HydrophobicContact CG1-CE2 4.06Å; I125-Y246 VanDerWaalsContact CG1-OH 3.29Å; I125-Y246 WeakPolarHBondContact CG1-OH 3.47Å; I125-Y246 PolarHBondContact N-OH 3.19Å
126R97.7Very high97.9Very high104 Ų10471.6 Ų71.639%0.39235%0.346SS..Hα-helixtrans-59.8-37.2176.9-76176.1-170-70.9-1.3112.9A122 Q123 T128 M132 E154 F157A122-R126 VanDerWaalsContact O-CG 3.25Å; A122-R126 WeakPolarHBondContact O-CG 3.17Å; A122-R126 PolarHBondContact O-N 3.36Å; Q123-R126 WeakPolarHBondContact O-CB 3.04Å; Q123-R126 PolarHBondContact O-N 3.03Å; Q123-R126 VanDerWaalsContact O-N 3.12Å; R126-T128 PolarHBondContact O-N 3.08Å; R126-M132 HydrophobicContact CG-SD 4.27Å; R126-M132 WeakPolarHBondContact O-CG 3.42Å; R126-E154 IonicContact CZ-OE1 3.87Å; R126-E154 IonicContact CZ-OE2 3.68Å; R126-E154 IonicContact NH1-OE2 2.6Å; R126-E154 IonicContact NH2-OE1 2.65Å; R126-E154 PolarHBondContact NH2-OE1 3.22Å; R126-E154 IonicContact NH2-OE2 3.8Å; R126-E154 PolarHBondContact NH2-OE2 3.06Å; R126-F157 HydrophobicContact CG-CE1 3.72Å; R126-F157 HydrophobicContact CG-CE2 4.49Å; R126-F157 HydrophobicContact CG-CZ 3.52Å; R126-F157 VanDerWaalsContact CZ-CD1 3.48Å; R126-F157 VanDerWaalsContact NH2-CE1 3.33Å
127E97.5Very high98Very high140 Ų14072.6 Ų72.665%0.65435%0.345SS*.THydrogen-bonded Turntrans-75.8-10.4179.2-67.4171.5-171.300112.6Q123 I125Q123-E127 WeakPolarHBondContact CG-OE1 3.46Å; Q123-E127 PolarHBondContact NE2-OE1 3.14Å; Q123-E127 WeakPolarHBondContact O-CG 3.36Å; Q123-E127 PolarHBondContact O-N 3.29Å; Q123-E127 VanDerWaalsContact O-N 3.09Å; I125-E127 VanDerWaalsContact C-N 3.26Å; I125-E127 PolarHBondContact O-N 3.05Å
128T97.1Very high98Very high45 Ų4568.5 Ų68.528%0.27632%0.323SS..  trans-97.9103.1179.1-530000111.2E124 I125 R126 E130 K131 M132E124-T128 PolarHBondContact O-N 3.15Å; E124-T128 PolarHBondContact O-OG1 2.96Å; I125-T128 PolarHBondContact O-N 3.45Å; R126-T128 PolarHBondContact O-N 3.08Å; T128-E130 VanDerWaalsContact C-N 3.32Å; T128-E130 PolarHBondContact O-N 3.47Å; T128-K131 HydrophobicContact CG2-CB 4.09Å; T128-K131 HydrophobicContact CG2-CD 4Å; T128-K131 HydrophobicContact CG2-CG 3.7Å; T128-K131 PolarHBondContact O-N 3.22Å; T128-M132 PolarHBondContact O-N 3.38Å
129E97.9Very high98Very high136 Ų13669.7 Ų69.764%0.63633%0.328SS*.Hα-helixtrans-52.6-44.7-176.4-171.9-173165.900113.4K131 M132 K133E129-K131 PolarHBondContact O-N 3.22Å; E129-M132 PolarHBondContact O-N 3.26Å; E129-K133 HydrophobicContact CG-CD 4.47Å; E129-K133 WeakPolarHBondContact O-CG 3.37Å; E129-K133 PolarHBondContact O-N 3.02Å; E129-K133 WeakPolarHBondContact OE1-CE 3.23Å; E129-K133 IonicContact OE1-NZ 3.92Å; E129-K133 PolarHBondContact OE1-NZ 3.35Å
130E97.7Very high98Very high158 Ų15869.7 Ų69.774%0.73833%0.329SS*.Hα-helixtrans-61.8-43.1179.1-174.3-176.7173.600112.2T128 K133 H134T128-E130 VanDerWaalsContact C-N 3.32Å; T128-E130 PolarHBondContact O-N 3.47Å; E130-K133 PolarHBondContact O-N 2.81Å; E130-H134 PolarHBondContact O-N 2.82Å
131K97.7Very high97.9Very high53 Ų5372.2 Ų72.223%0.2334%0.338CS..Hα-helixtrans-68.4-36.5179.1-66.5-174.4-179.2-173.50111.4I125 T128 E129 H134 F135 E243 Y246I125-K131 HydrophobicContact CG1-CD 4.21Å; I125-K131 HydrophobicContact CG2-CB 4.12Å; T128-K131 HydrophobicContact CG2-CB 4.09Å; T128-K131 HydrophobicContact CG2-CD 4Å; T128-K131 HydrophobicContact CG2-CG 3.7Å; T128-K131 PolarHBondContact O-N 3.22Å; E129-K131 PolarHBondContact O-N 3.22Å; K131-H134 PolarHBondContact O-N 2.87Å; K131-F135 PolarHBondContact O-N 3.22Å; K131-E243 PolarHBondContact NZ-O 2.81Å; K131-Y246 WeakPolarHBondContact CD-OH 3.47Å; K131-Y246 VanDerWaalsContact NZ-CZ 3.29Å; K131-Y246 PolarHBondContact NZ-OH 2.91Å
132M98.5Very high97.9Very high40 Ų4070.7 Ų70.720%0.19733%0.331CS..Hα-helixtrans-68.9-38.7174.6-71.4-56.3-58.600112.6R126 T128 E129 H134 F135 E136 F157R126-M132 HydrophobicContact CG-SD 4.27Å; R126-M132 WeakPolarHBondContact O-CG 3.42Å; T128-M132 PolarHBondContact O-N 3.38Å; E129-M132 PolarHBondContact O-N 3.26Å; M132-H134 VanDerWaalsContact C-N 3.32Å; M132-H134 PolarHBondContact O-N 3.49Å; M132-F135 HydrophobicContact CE-CD1 3.98Å; M132-F135 WeakPolarHBondContact O-CB 3.47Å; M132-F135 PolarHBondContact O-N 3.36Å; M132-E136 WeakPolarHBondContact O-CG 3.38Å; M132-E136 PolarHBondContact O-N 3.35Å; M132-F157 HydrophobicContact CE-CE2 4.17Å; M132-F157 HydrophobicContact SD-CD2 4.42Å; M132-F157 HydrophobicContact SD-CE2 3.51Å; M132-F157 VanDerWaalsContact SD-CE2 3.51Å; M132-F157 HydrophobicContact SD-CZ 3.97Å
133K98.5Very high97.8Very high123 Ų12373.9 Ų73.954%0.53534%0.344SS..Hα-helixtrans-60.2-43.3171.2-74.7176.2-177167.90111.6E129 E130 E136 L137E129-K133 HydrophobicContact CG-CD 4.47Å; E129-K133 WeakPolarHBondContact O-CG 3.37Å; E129-K133 PolarHBondContact O-N 3.02Å; E129-K133 WeakPolarHBondContact OE1-CE 3.23Å; E129-K133 IonicContact OE1-NZ 3.92Å; E129-K133 PolarHBondContact OE1-NZ 3.35Å; E130-K133 PolarHBondContact O-N 2.81Å; K133-E136 PolarHBondContact O-N 2.87Å; K133-L137 WeakPolarHBondContact O-CG 3.48Å; K133-L137 PolarHBondContact O-N 3.22Å
134H98.2Very high97.6Very high74 Ų7475.8 Ų75.834%0.34335%0.351SS..Hα-helixtrans-61.2-46174.3-179.867.4000111.7E86 E130 K131 M132 E136 L137 I138 W164E86-H134 IonicContact OE1-CD2 3.62Å; E86-H134 IonicContact OE1-CE1 3.84Å; E86-H134 IonicContact OE1-NE2 3.46Å; E86-H134 PolarHBondContact OE1-NE2 2.91Å; E86-H134 IonicContact OE2-CE1 2.72Å; E86-H134 PolarHBondContact OE2-CE1 3.42Å; E86-H134 IonicContact OE2-NE2 3.95Å; E86-H134 PolarHBondContact OE2-NE2 3.14Å; E130-H134 PolarHBondContact O-N 2.82Å; K131-H134 PolarHBondContact O-N 2.87Å; M132-H134 VanDerWaalsContact C-N 3.32Å; M132-H134 PolarHBondContact O-N 3.49Å; H134-E136 PolarHBondContact O-N 3.27Å; H134-L137 PolarHBondContact O-N 3.28Å; H134-I138 WeakPolarHBondContact NE2-CG1 3.42Å; H134-I138 WeakPolarHBondContact O-CG1 3.49Å; H134-I138 PolarHBondContact O-N 2.88Å; H134-W164 AromaticContact CD2-CZ2 3.64Å
135F98.7Very high97.4Very high4 Ų473.1 Ų73.12%0.01834%0.338CS..Hα-helixtrans-54.1-49.8175.9172.9-110.9000112.4K131 M132 L137 I138 Y139 K153 F156 F157 C160 W164K131-F135 PolarHBondContact O-N 3.22Å; M132-F135 HydrophobicContact CE-CD1 3.98Å; M132-F135 WeakPolarHBondContact O-CB 3.47Å; M132-F135 PolarHBondContact O-N 3.36Å; F135-L137 VanDerWaalsContact C-N 3.29Å; F135-L137 PolarHBondContact O-N 2.61Å; F135-I138 PolarHBondContact O-N 2.83Å; F135-I138 VanDerWaalsContact O-N 3.15Å; F135-Y139 HydrophobicContact CZ-CD2 4.43Å; F135-Y139 HydrophobicContact CZ-CG 4.48Å; F135-Y139 WeakPolarHBondContact O-CB 3.46Å; F135-Y139 PolarHBondContact O-N 2.87Å; F135-K153 HydrophobicContact CE1-CG 4.26Å; F135-K153 HydrophobicContact CZ-CG 4.19Å; F135-F156 AromaticContact CE2-CD1 3.77Å; F135-F156 HydrophobicContact CE2-CD1 3.77Å; F135-F156 HydrophobicContact CE2-CE1 4.24Å; F135-F156 HydrophobicContact CZ-CD1 4.3Å; F135-F157 AromaticContact CD1-CD2 3.8Å; F135-F157 HydrophobicContact CD1-CD2 3.8Å; F135-F157 HydrophobicContact CD1-CE2 4.41Å; F135-F157 AromaticContact CD2-CD2 3.7Å; F135-F157 HydrophobicContact CD2-CD2 3.7Å; F135-F157 HydrophobicContact CD2-CE2 4.47Å; F135-F157 HydrophobicContact CE1-CB 4.15Å; F135-F157 AromaticContact CE1-CD2 3.8Å; F135-F157 HydrophobicContact CE1-CD2 3.8Å; F135-F157 HydrophobicContact CE1-CG 4.4Å; F135-F157 VanDerWaalsContact CE2-CA 3.46Å; F135-F157 HydrophobicContact CE2-CB 3.77Å; F135-F157 AromaticContact CE2-CD2 3.73Å; F135-F157 HydrophobicContact CE2-CD2 3.73Å; F135-F157 HydrophobicContact CE2-CG 4.25Å; F135-F157 AromaticContact CG-CD2 3.74Å; F135-F157 HydrophobicContact CG-CD2 3.74Å; F135-F157 HydrophobicContact CG-CE2 4.24Å; F135-F157 HydrophobicContact CZ-CB 3.52Å; F135-F157 AromaticContact CZ-CD2 3.78Å; F135-F157 HydrophobicContact CZ-CD2 3.78Å; F135-F157 HydrophobicContact CZ-CG 4.13Å; F135-C160 HydrophobicContact CD2-CB 4.3Å; F135-C160 HydrophobicContact CE2-CB 4.46Å; F135-W164 HydrophobicContact CB-CH2 3.96Å; F135-W164 HydrophobicContact CD2-CH2 4.31Å
136E98.4Very high97.3Very high70 Ų7073.4 Ų73.433%0.32734%0.339SS..Hα-helixtrans-59.3-40.8-179.9-68-61.5156.900111.9M132 K133 H134 Y139 L140 K153M132-E136 WeakPolarHBondContact O-CG 3.38Å; M132-E136 PolarHBondContact O-N 3.35Å; K133-E136 PolarHBondContact O-N 2.87Å; H134-E136 PolarHBondContact O-N 3.27Å; E136-Y139 PolarHBondContact O-N 3.15Å; E136-L140 WeakPolarHBondContact O-CG 3.47Å; E136-L140 PolarHBondContact O-N 2.95Å; E136-L140 VanDerWaalsContact O-N 3.09Å; E136-K153 VanDerWaalsContact OE1-CE 3.3Å; E136-K153 WeakPolarHBondContact OE1-CE 3.33Å; E136-K153 IonicContact OE1-NZ 3.94Å; E136-K153 PolarHBondContact OE1-NZ 3.13Å; E136-K153 WeakPolarHBondContact OE2-CE 3.38Å; E136-K153 IonicContact OE2-NZ 2.69Å; E136-K153 PolarHBondContact OE2-NZ 3.12Å
137L98.2Very high97.1Very high99 Ų9970.4 Ų70.452%0.51834%0.341SS..Hα-helixtrans-65.2-41.4175.9-68.4173.4000112.5K133 H134 F135 K141K133-L137 WeakPolarHBondContact O-CG 3.48Å; K133-L137 PolarHBondContact O-N 3.22Å; H134-L137 PolarHBondContact O-N 3.28Å; F135-L137 VanDerWaalsContact C-N 3.29Å; F135-L137 PolarHBondContact O-N 2.61Å; L137-K141 WeakPolarHBondContact O-CG 3.29Å; L137-K141 PolarHBondContact O-N 3.28Å
138I98.2Very high97Very high3 Ų371.9 Ų71.92%0.01535%0.353CS..Hα-helixtrans-68.1-42.4177.4-67.9-61.7000110.9V84 E86 V87 L90 H134 F135 L140 K141 A142 F156V84-I138 HydrophobicContact CG2-CD1 3.87Å; E86-I138 HydrophobicContact CB-CD1 4.36Å; E86-I138 HydrophobicContact CG-CD1 4.19Å; E86-I138 VanDerWaalsContact OE2-CD1 3.29Å; E86-I138 WeakPolarHBondContact OE2-CD1 3.36Å; V87-I138 HydrophobicContact CG2-CD1 4.13Å; V87-I138 HydrophobicContact CG2-CG2 4.25Å; L90-I138 HydrophobicContact CD1-CG2 3.55Å; H134-I138 WeakPolarHBondContact NE2-CG1 3.42Å; H134-I138 WeakPolarHBondContact O-CG1 3.49Å; H134-I138 PolarHBondContact O-N 2.88Å; F135-I138 PolarHBondContact O-N 2.83Å; F135-I138 VanDerWaalsContact O-N 3.15Å; I138-L140 PolarHBondContact O-N 3.12Å; I138-K141 PolarHBondContact O-N 3.44Å; I138-A142 VanDerWaalsContact O-CB 3.28Å; I138-A142 WeakPolarHBondContact O-CB 3.39Å; I138-A142 PolarHBondContact O-N 3.07Å; I138-F156 HydrophobicContact CG2-CE1 4.25Å; I138-F156 HydrophobicContact CG2-CZ 4.34Å
139Y98.4Very high96.8Very high29 Ų2975 Ų7511%0.11436%0.363CS..Hα-helixtrans-58.2-48.9177.3-179.6-110.4000111.5F135 E136 K141 A142 Q143 M150 K153 F156F135-Y139 HydrophobicContact CZ-CD2 4.43Å; F135-Y139 HydrophobicContact CZ-CG 4.48Å; F135-Y139 WeakPolarHBondContact O-CB 3.46Å; F135-Y139 PolarHBondContact O-N 2.87Å; E136-Y139 PolarHBondContact O-N 3.15Å; Y139-K141 VanDerWaalsContact C-N 3.34Å; Y139-K141 PolarHBondContact O-N 3.3Å; Y139-A142 PolarHBondContact O-N 3.42Å; Y139-Q143 HydrophobicContact CD1-CG 4.43Å; Y139-Q143 HydrophobicContact CD2-CG 4.49Å; Y139-Q143 HydrophobicContact CE1-CG 4.06Å; Y139-Q143 HydrophobicContact CE2-CG 4.14Å; Y139-Q143 WeakPolarHBondContact O-CG 3.07Å; Y139-Q143 PolarHBondContact O-N 3.27Å; Y139-Q143 PolarHBondContact OH-NE2 3.49Å; Y139-M150 HydrophobicContact CD2-CE 3.39Å; Y139-M150 HydrophobicContact CE2-CE 3.42Å; Y139-M150 VanDerWaalsContact CE2-CE 3.42Å; Y139-M150 HydrophobicContact CE2-CG 4.49Å; Y139-M150 HydrophobicContact CG-CE 4.49Å; Y139-K153 HydrophobicContact CD1-CD 4.12Å; Y139-K153 HydrophobicContact CD1-CG 4.26Å; Y139-K153 HydrophobicContact CD2-CG 4.16Å; Y139-K153 HydrophobicContact CE1-CB 4.33Å; Y139-K153 HydrophobicContact CE1-CD 3.76Å; Y139-K153 HydrophobicContact CE1-CG 3.92Å; Y139-K153 HydrophobicContact CE2-CB 3.88Å; Y139-K153 HydrophobicContact CE2-CG 3.82Å; Y139-K153 HydrophobicContact CG-CG 4.38Å; Y139-F156 HydrophobicContact CD2-CB 4.48Å; Y139-F156 AromaticContact CD2-CD1 3.6Å; Y139-F156 HydrophobicContact CD2-CD1 3.6Å; Y139-F156 HydrophobicContact CD2-CE1 4.15Å; Y139-F156 HydrophobicContact CD2-CG 4.26Å; Y139-F156 HydrophobicContact CE2-CD1 4.39Å
140L96.9Very high96.8Very high102 Ų10270.1 Ų70.153%0.53434%0.34SS..Hα-helixtrans-59.6-42.1177.2-70.7172.3000112.6E136 I138 K144E136-L140 WeakPolarHBondContact O-CG 3.47Å; E136-L140 PolarHBondContact O-N 2.95Å; E136-L140 VanDerWaalsContact O-N 3.09Å; I138-L140 PolarHBondContact O-N 3.12Å; L140-K144 PolarHBondContact O-N 3.08Å
141K96.3Very high96.8Very high96 Ų9663.5 Ų63.542%0.41731%0.311SS..Hα-helixtrans-68.2-39.5177.2-69.9173.2-176.3175.60111.8V84 V87 L137 I138 Y139 K144 Y145V84-K141 HydrophobicContact CG2-CD 4.38Å; V87-K141 HydrophobicContact CG2-CB 3.74Å; L137-K141 WeakPolarHBondContact O-CG 3.29Å; L137-K141 PolarHBondContact O-N 3.28Å; I138-K141 PolarHBondContact O-N 3.44Å; Y139-K141 VanDerWaalsContact C-N 3.34Å; Y139-K141 PolarHBondContact O-N 3.3Å; K141-K144 PolarHBondContact O-N 3.31Å; K141-Y145 WeakPolarHBondContact O-CB 3.37Å; K141-Y145 PolarHBondContact O-N 3.15Å
142A97.1Very high96.8Very high0 Ų065.4 Ų65.40%032%0.324CS..Hα-helixtrans-66.1-42.1177.400000111.7V87 I138 Y139 K144 Y145 M146 M150 F156V87-A142 HydrophobicContact CG1-CB 4.21Å; I138-A142 VanDerWaalsContact O-CB 3.28Å; I138-A142 WeakPolarHBondContact O-CB 3.39Å; I138-A142 PolarHBondContact O-N 3.07Å; Y139-A142 PolarHBondContact O-N 3.42Å; A142-K144 VanDerWaalsContact C-N 3.34Å; A142-K144 PolarHBondContact O-N 2.97Å; A142-Y145 PolarHBondContact O-N 3.4Å; A142-Y145 VanDerWaalsContact O-N 3.12Å; A142-M146 HydrophobicContact CB-SD 4.42Å; A142-M146 WeakPolarHBondContact O-CB 3.26Å; A142-M146 WeakPolarHBondContact O-CG 3.16Å; A142-M146 PolarHBondContact O-N 2.85Å; A142-M150 HydrophobicContact CB-CE 3.71Å; A142-M150 HydrophobicContact CB-SD 3.94Å; A142-F156 HydrophobicContact CB-CE1 4.07Å; A142-F156 HydrophobicContact CB-CE2 4.09Å; A142-F156 HydrophobicContact CB-CZ 3.5Å; A142-F156 VanDerWaalsContact CB-CZ 3.5Å
143Q96.1Very high96.8Very high77 Ų7767.4 Ų67.436%0.3633%0.332SS..Hα-helixtrans-55.3-48.5173.6-76.6-175.3-59.100111.6Y139 Y145 G147 M150Y139-Q143 HydrophobicContact CD1-CG 4.43Å; Y139-Q143 HydrophobicContact CD2-CG 4.49Å; Y139-Q143 HydrophobicContact CE1-CG 4.06Å; Y139-Q143 HydrophobicContact CE2-CG 4.14Å; Y139-Q143 WeakPolarHBondContact O-CG 3.07Å; Y139-Q143 PolarHBondContact O-N 3.27Å; Y139-Q143 PolarHBondContact OH-NE2 3.49Å; Q143-Y145 VanDerWaalsContact C-N 3.31Å; Q143-Y145 PolarHBondContact O-N 3.36Å; Q143-G147 WeakPolarHBondContact O-CA 3.42Å; Q143-G147 PolarHBondContact O-N 3.47Å; Q143-M150 HydrophobicContact CG-CE 4.22Å; Q143-M150 HydrophobicContact CG-CG 3.93Å; Q143-M150 HydrophobicContact CG-SD 4.28Å
144K93.8Very high96.8Very high173 Ų17366.1 Ų66.175%0.75233%0.328SS*.Hα-helixtrans-63.2-37.4177.6-174.6177.6-179.7-179.70112.6L140 K141 A142L140-K144 PolarHBondContact O-N 3.08Å; K141-K144 PolarHBondContact O-N 3.31Å; A142-K144 VanDerWaalsContact C-N 3.34Å; A142-K144 PolarHBondContact O-N 2.97Å
145Y94.9Very high96.8Very high8 Ų867 Ų673%0.03133%0.332CS..Hα-helixtrans-76.2-40.9-177.7172.5-121.1000113.1E71 R74 L75 P83 V87 L88 K141 A142 Q143E71-Y145 WeakPolarHBondContact CG-OH 3.3Å; R74-Y145 HydrophobicContact CB-CD2 4.03Å; R74-Y145 HydrophobicContact CB-CE2 3.48Å; R74-Y145 VanDerWaalsContact CB-CE2 3.48Å; R74-Y145 VanDerWaalsContact CD-O 3.31Å; R74-Y145 WeakPolarHBondContact CD-O 3.49Å; L75-Y145 HydrophobicContact CD2-CE2 4.27Å; P83-Y145 HydrophobicContact CG-CD2 3.59Å; P83-Y145 HydrophobicContact CG-CE2 4.2Å; P83-Y145 HydrophobicContact CG-CG 3.8Å; V87-Y145 HydrophobicContact CG1-CD1 3.7Å; V87-Y145 HydrophobicContact CG1-CG 4.05Å; L88-Y145 HydrophobicContact CD2-CD1 4.47Å; L88-Y145 HydrophobicContact CD2-CD2 4.39Å; L88-Y145 HydrophobicContact CD2-CE1 3.86Å; L88-Y145 HydrophobicContact CD2-CE2 3.77Å; L88-Y145 VanDerWaalsContact CD2-CZ 3.47Å; K141-Y145 WeakPolarHBondContact O-CB 3.37Å; K141-Y145 PolarHBondContact O-N 3.15Å; A142-Y145 PolarHBondContact O-N 3.4Å; A142-Y145 VanDerWaalsContact O-N 3.12Å; Q143-Y145 VanDerWaalsContact C-N 3.31Å; Q143-Y145 PolarHBondContact O-N 3.36Å
146M95.1Very high96.8Very high7 Ų766.9 Ų66.93%0.03433%0.331CS..Hα-helixtrans-94.2-24-172.3-6217767.700113.2C94 A142 D148 K149 M150C94-M146 HydrophobicContact CB-CE 3.33Å; A142-M146 HydrophobicContact CB-SD 4.42Å; A142-M146 WeakPolarHBondContact O-CB 3.26Å; A142-M146 WeakPolarHBondContact O-CG 3.16Å; A142-M146 PolarHBondContact O-N 2.85Å; M146-D148 PolarHBondContact O-N 3.38Å; M146-K149 WeakPolarHBondContact CE-O 3.22Å; M146-K149 WeakPolarHBondContact O-CB 3.36Å; M146-K149 PolarHBondContact O-N 2.92Å; M146-K149 VanDerWaalsContact O-N 3.15Å; M146-M150 HydrophobicContact CB-SD 4.22Å; M146-M150 HydrophobicContact CG-SD 4.5Å; M146-M150 HydrophobicContact SD-SD 3.81Å
147G94Very high96.8Very high41 Ų4163.6 Ų63.642%0.42332%0.316SS..G310 helixtrans57.5-131.3179.900000112.1Q143 K149 M150Q143-G147 WeakPolarHBondContact O-CA 3.42Å; Q143-G147 PolarHBondContact O-N 3.47Å; G147-K149 PolarHBondContact O-N 3.39Å; G147-M150 VanDerWaalsContact O-CB 3.31Å; G147-M150 WeakPolarHBondContact O-CB 3.02Å; G147-M150 PolarHBondContact O-N 3.22Å
148D94.3Very high96.8Very high171 Ų17161 Ų6191%0.91430%0.302SS*.G310 helixtrans-62.1-10.1179.8-55.2-22.6000114M146 M150M146-D148 PolarHBondContact O-N 3.38Å; D148-M150 VanDerWaalsContact C-N 3.31Å
149K94.8Very high96.9Very high110 Ų11061.1 Ų61.148%0.47830%0.303SS..G310 helixtrans-91.711.1173.5-60.8-48.1-170-178.30112.2R98 M146 G147R98-K149 PolarHBondContact NH2-O 2.84Å; M146-K149 WeakPolarHBondContact CE-O 3.22Å; M146-K149 WeakPolarHBondContact O-CB 3.36Å; M146-K149 PolarHBondContact O-N 2.92Å; M146-K149 VanDerWaalsContact O-N 3.15Å; G147-K149 PolarHBondContact O-N 3.39Å
150M97.2Very high96.9Very high34 Ų3459.8 Ų59.817%0.16730%0.297CS..PPolyproline II helixtrans-74.1130.3174.1-165.769.3-176.400110.5Y139 A142 Q143 M146 G147 D148 F156Y139-M150 HydrophobicContact CD2-CE 3.39Å; Y139-M150 HydrophobicContact CE2-CE 3.42Å; Y139-M150 VanDerWaalsContact CE2-CE 3.42Å; Y139-M150 HydrophobicContact CE2-CG 4.49Å; Y139-M150 HydrophobicContact CG-CE 4.49Å; A142-M150 HydrophobicContact CB-CE 3.71Å; A142-M150 HydrophobicContact CB-SD 3.94Å; Q143-M150 HydrophobicContact CG-CE 4.22Å; Q143-M150 HydrophobicContact CG-CG 3.93Å; Q143-M150 HydrophobicContact CG-SD 4.28Å; M146-M150 HydrophobicContact CB-SD 4.22Å; M146-M150 HydrophobicContact CG-SD 4.5Å; M146-M150 HydrophobicContact SD-SD 3.81Å; G147-M150 VanDerWaalsContact O-CB 3.31Å; G147-M150 WeakPolarHBondContact O-CB 3.02Å; G147-M150 PolarHBondContact O-N 3.22Å; D148-M150 VanDerWaalsContact C-N 3.31Å; M150-F156 HydrophobicContact CE-CB 4.07Å; M150-F156 HydrophobicContact CE-CD1 3.61Å; M150-F156 HydrophobicContact CE-CD2 3.51Å; M150-F156 HydrophobicContact CE-CE1 3.82Å; M150-F156 HydrophobicContact CE-CE2 3.74Å; M150-F156 HydrophobicContact CE-CG 3.43Å; M150-F156 VanDerWaalsContact CE-CG 3.43Å; M150-F156 HydrophobicContact CE-CZ 3.89Å; M150-F156 HydrophobicContact SD-CD2 4.45Å
151P97.7Very high97Very high19 Ų1954.9 Ų54.912%0.12327%0.272CS..PPolyproline II helixtrans-63.7170.8167.2-17.731.5000112C94 E155 F156C94-P151 HydrophobicContact CB-CG 4.15Å; P151-E155 HydrophobicContact CB-CB 4.27Å; P151-E155 HydrophobicContact CB-CG 4.17Å; P151-E155 WeakPolarHBondContact CB-OE2 3.48Å; P151-F156 HydrophobicContact CB-CB 4.43Å; P151-F156 HydrophobicContact CG-CD2 4.43Å
152D97.6Very high97.1Very high94 Ų9451.1 Ų51.150%0.50326%0.256SS..PPolyproline II helixtrans-63.4158168.878.673.4000111E154 E155 F156D152-E154 VanDerWaalsContact C-N 3.27Å; D152-E154 PolarHBondContact O-N 3.2Å; D152-E154 WeakPolarHBondContact OD1-CA 3.3Å; D152-E154 WeakPolarHBondContact OD1-CB 3.24Å; D152-E154 PolarHBondContact OD1-N 2.96Å; D152-E155 PolarHBondContact O-N 3.48Å; D152-E155 PolarHBondContact OD1-N 2.9Å; D152-E155 WeakPolarHBondContact OD2-CB 3.33Å; D152-F156 WeakPolarHBondContact O-CB 3.29Å; D152-F156 PolarHBondContact O-N 3.42Å
153K98.3Very high97.2Very high82 Ų8251.2 Ų51.236%0.35726%0.256SS..Hα-helixtrans-62-35.6-172.5-171.6172.4179.3178.40112.7F135 E136 Y139 F157F135-K153 HydrophobicContact CE1-CG 4.26Å; F135-K153 HydrophobicContact CZ-CG 4.19Å; E136-K153 VanDerWaalsContact OE1-CE 3.3Å; E136-K153 WeakPolarHBondContact OE1-CE 3.33Å; E136-K153 IonicContact OE1-NZ 3.94Å; E136-K153 PolarHBondContact OE1-NZ 3.13Å; E136-K153 WeakPolarHBondContact OE2-CE 3.38Å; E136-K153 IonicContact OE2-NZ 2.69Å; E136-K153 PolarHBondContact OE2-NZ 3.12Å; Y139-K153 HydrophobicContact CD1-CD 4.12Å; Y139-K153 HydrophobicContact CD1-CG 4.26Å; Y139-K153 HydrophobicContact CD2-CG 4.16Å; Y139-K153 HydrophobicContact CE1-CB 4.33Å; Y139-K153 HydrophobicContact CE1-CD 3.76Å; Y139-K153 HydrophobicContact CE1-CG 3.92Å; Y139-K153 HydrophobicContact CE2-CB 3.88Å; Y139-K153 HydrophobicContact CE2-CG 3.82Å; Y139-K153 HydrophobicContact CG-CG 4.38Å; K153-F157 WeakPolarHBondContact O-CB 3.27Å; K153-F157 PolarHBondContact O-N 3.45Å
154E98.2Very high97.2Very high96 Ų9650 Ų5045%0.44925%0.248SC..Hα-helixtrans-75.2-45.2-178.2-18058.4-157.200110.5R126 D152 F156 F157 I158R126-E154 IonicContact CZ-OE1 3.87Å; R126-E154 IonicContact CZ-OE2 3.68Å; R126-E154 IonicContact NH1-OE2 2.6Å; R126-E154 IonicContact NH2-OE1 2.65Å; R126-E154 PolarHBondContact NH2-OE1 3.22Å; R126-E154 IonicContact NH2-OE2 3.8Å; R126-E154 PolarHBondContact NH2-OE2 3.06Å; D152-E154 VanDerWaalsContact C-N 3.27Å; D152-E154 PolarHBondContact O-N 3.2Å; D152-E154 WeakPolarHBondContact OD1-CA 3.3Å; D152-E154 WeakPolarHBondContact OD1-CB 3.24Å; D152-E154 PolarHBondContact OD1-N 2.96Å; E154-F156 VanDerWaalsContact C-N 3.33Å; E154-F156 PolarHBondContact O-N 2.83Å; E154-F157 WeakPolarHBondContact O-CB 3.39Å; E154-F157 PolarHBondContact O-N 2.83Å; E154-I158 WeakPolarHBondContact O-CG1 3.3Å; E154-I158 PolarHBondContact O-N 3.36Å
155E98.4Very high97.5Very high93 Ų9342.2 Ų42.244%0.43522%0.215SC..Hα-helixtrans-56.7-47.4171.9-176-175.3-17800111P151 D152 F157 I158 I159P151-E155 HydrophobicContact CB-CB 4.27Å; P151-E155 HydrophobicContact CB-CG 4.17Å; P151-E155 WeakPolarHBondContact CB-OE2 3.48Å; D152-E155 PolarHBondContact O-N 3.48Å; D152-E155 PolarHBondContact OD1-N 2.9Å; D152-E155 WeakPolarHBondContact OD2-CB 3.33Å; E155-F157 VanDerWaalsContact C-N 3.31Å; E155-F157 PolarHBondContact O-N 2.98Å; E155-I158 PolarHBondContact O-N 3.43Å; E155-I159 HydrophobicContact CG-CD1 4.16Å; E155-I159 WeakPolarHBondContact O-CG1 3.14Å; E155-I159 PolarHBondContact O-N 3.12Å
156F98.7Very high97.6Very high0 Ų042.9 Ų42.90%022%0.219CC..Hα-helixtrans-64.1-35.7178-172.6-102.2000112.6L90 F135 I138 Y139 A142 M150 P151 D152 E154 I159 C160L90-F156 HydrophobicContact CB-CE2 4.12Å; L90-F156 HydrophobicContact CB-CZ 4.17Å; L90-F156 HydrophobicContact CD1-CZ 3.9Å; F135-F156 AromaticContact CE2-CD1 3.77Å; F135-F156 HydrophobicContact CE2-CD1 3.77Å; F135-F156 HydrophobicContact CE2-CE1 4.24Å; F135-F156 HydrophobicContact CZ-CD1 4.3Å; I138-F156 HydrophobicContact CG2-CE1 4.25Å; I138-F156 HydrophobicContact CG2-CZ 4.34Å; Y139-F156 HydrophobicContact CD2-CB 4.48Å; Y139-F156 AromaticContact CD2-CD1 3.6Å; Y139-F156 HydrophobicContact CD2-CD1 3.6Å; Y139-F156 HydrophobicContact CD2-CE1 4.15Å; Y139-F156 HydrophobicContact CD2-CG 4.26Å; Y139-F156 HydrophobicContact CE2-CD1 4.39Å; A142-F156 HydrophobicContact CB-CE1 4.07Å; A142-F156 HydrophobicContact CB-CE2 4.09Å; A142-F156 HydrophobicContact CB-CZ 3.5Å; A142-F156 VanDerWaalsContact CB-CZ 3.5Å; M150-F156 HydrophobicContact CE-CB 4.07Å; M150-F156 HydrophobicContact CE-CD1 3.61Å; M150-F156 HydrophobicContact CE-CD2 3.51Å; M150-F156 HydrophobicContact CE-CE1 3.82Å; M150-F156 HydrophobicContact CE-CE2 3.74Å; M150-F156 HydrophobicContact CE-CG 3.43Å; M150-F156 VanDerWaalsContact CE-CG 3.43Å; M150-F156 HydrophobicContact CE-CZ 3.89Å; M150-F156 HydrophobicContact SD-CD2 4.45Å; P151-F156 HydrophobicContact CB-CB 4.43Å; P151-F156 HydrophobicContact CG-CD2 4.43Å; D152-F156 WeakPolarHBondContact O-CB 3.29Å; D152-F156 PolarHBondContact O-N 3.42Å; E154-F156 VanDerWaalsContact C-N 3.33Å; E154-F156 PolarHBondContact O-N 2.83Å; F156-I159 PolarHBondContact O-N 3.05Å; F156-C160 WeakPolarHBondContact CE1-SG 3.45Å; F156-C160 PolarHBondContact O-N 2.93Å; F156-C160 PolarHBondContact O-SG 2.66Å
157F98.8Very high97.8Very high1 Ų143.1 Ų43.10%0.00422%0.221CC..Hα-helixtrans-60.3-48.7173.5178.3-102.5000111.6A122 I125 R126 M132 F135 K153 E154 E155 I159 C160 C161A122-F157 HydrophobicContact CB-CE1 3.98Å; I125-F157 HydrophobicContact CB-CZ 4.29Å; I125-F157 HydrophobicContact CG2-CE2 3.9Å; I125-F157 HydrophobicContact CG2-CZ 3.78Å; R126-F157 HydrophobicContact CG-CE1 3.72Å; R126-F157 HydrophobicContact CG-CE2 4.49Å; R126-F157 HydrophobicContact CG-CZ 3.52Å; R126-F157 VanDerWaalsContact CZ-CD1 3.48Å; R126-F157 VanDerWaalsContact NH2-CE1 3.33Å; M132-F157 HydrophobicContact CE-CE2 4.17Å; M132-F157 HydrophobicContact SD-CD2 4.42Å; M132-F157 HydrophobicContact SD-CE2 3.51Å; M132-F157 VanDerWaalsContact SD-CE2 3.51Å; M132-F157 HydrophobicContact SD-CZ 3.97Å; F135-F157 AromaticContact CD1-CD2 3.8Å; F135-F157 HydrophobicContact CD1-CD2 3.8Å; F135-F157 HydrophobicContact CD1-CE2 4.41Å; F135-F157 AromaticContact CD2-CD2 3.7Å; F135-F157 HydrophobicContact CD2-CD2 3.7Å; F135-F157 HydrophobicContact CD2-CE2 4.47Å; F135-F157 HydrophobicContact CE1-CB 4.15Å; F135-F157 AromaticContact CE1-CD2 3.8Å; F135-F157 HydrophobicContact CE1-CD2 3.8Å; F135-F157 HydrophobicContact CE1-CG 4.4Å; F135-F157 VanDerWaalsContact CE2-CA 3.46Å; F135-F157 HydrophobicContact CE2-CB 3.77Å; F135-F157 AromaticContact CE2-CD2 3.73Å; F135-F157 HydrophobicContact CE2-CD2 3.73Å; F135-F157 HydrophobicContact CE2-CG 4.25Å; F135-F157 AromaticContact CG-CD2 3.74Å; F135-F157 HydrophobicContact CG-CD2 3.74Å; F135-F157 HydrophobicContact CG-CE2 4.24Å; F135-F157 HydrophobicContact CZ-CB 3.52Å; F135-F157 AromaticContact CZ-CD2 3.78Å; F135-F157 HydrophobicContact CZ-CD2 3.78Å; F135-F157 HydrophobicContact CZ-CG 4.13Å; K153-F157 WeakPolarHBondContact O-CB 3.27Å; K153-F157 PolarHBondContact O-N 3.45Å; E154-F157 WeakPolarHBondContact O-CB 3.39Å; E154-F157 PolarHBondContact O-N 2.83Å; E155-F157 VanDerWaalsContact C-N 3.31Å; E155-F157 PolarHBondContact O-N 2.98Å; F157-I159 VanDerWaalsContact C-N 3.3Å; F157-I159 PolarHBondContact O-N 3.01Å; F157-C160 WeakPolarHBondContact O-CB 3.49Å; F157-C160 PolarHBondContact O-N 3.39Å; F157-C160 VanDerWaalsContact O-N 3.12Å; F157-C161 VanDerWaalsContact CE1-SG 3.53Å; F157-C161 WeakPolarHBondContact CZ-SG 3.34Å; F157-C161 PolarHBondContact O-N 3.37Å; F157-C161 PolarHBondContact O-SG 3.07Å
158I98.8Very high97.9Very high46 Ų4642.5 Ų42.524%0.23621%0.207CC..Hα-helixtrans-61.9-39.5177.8-63.1-58.8000111.3A122 E154 E155 C160 C161 K162A122-I158 HydrophobicContact CB-CD1 3.76Å; E154-I158 WeakPolarHBondContact O-CG1 3.3Å; E154-I158 PolarHBondContact O-N 3.36Å; E155-I158 PolarHBondContact O-N 3.43Å; I158-C160 PolarHBondContact O-N 3.13Å; I158-C161 PolarHBondContact O-N 2.75Å; I158-K162 HydrophobicContact CG2-CD 4.25Å; I158-K162 VanDerWaalsContact CG2-CE 3.49Å; I158-K162 WeakPolarHBondContact O-CG 3.32Å; I158-K162 PolarHBondContact O-N 3.21Å
159I98.8Very high98Very high5 Ų536.2 Ų36.23%0.02618%0.177CC..Hα-helixtrans-60.2-44.8173.5-70167.9000111.3L90 I93 L97 F115 E155 F156 F157 S163L90-I159 HydrophobicContact CD2-CG2 4.17Å; I93-I159 HydrophobicContact CB-CG2 4.32Å; I93-I159 HydrophobicContact CG2-CG2 3.62Å; L97-I159 HydrophobicContact CD1-CD1 3.71Å; L97-I159 HydrophobicContact CD1-CG1 3.82Å; F115-I159 HydrophobicContact CE1-CG1 4.17Å; F115-I159 HydrophobicContact CZ-CB 4.47Å; F115-I159 HydrophobicContact CZ-CG1 4.28Å; F115-I159 HydrophobicContact CZ-CG2 4.3Å; E155-I159 HydrophobicContact CG-CD1 4.16Å; E155-I159 WeakPolarHBondContact O-CG1 3.14Å; E155-I159 PolarHBondContact O-N 3.12Å; F156-I159 PolarHBondContact O-N 3.05Å; F157-I159 VanDerWaalsContact C-N 3.3Å; F157-I159 PolarHBondContact O-N 3.01Å; I159-S163 VanDerWaalsContact O-CB 3.27Å; I159-S163 WeakPolarHBondContact O-CB 3.15Å; I159-S163 PolarHBondContact O-N 3.43Å
160C98.7Very high98.1Very high0 Ų031 Ų310%015%0.154CC..Hα-helixtrans-59.3-48.6176.4-69.10000111.3F135 F156 F157 I158 K162 S163 W164F135-C160 HydrophobicContact CD2-CB 4.3Å; F135-C160 HydrophobicContact CE2-CB 4.46Å; F156-C160 WeakPolarHBondContact CE1-SG 3.45Å; F156-C160 PolarHBondContact O-N 2.93Å; F156-C160 PolarHBondContact O-SG 2.66Å; F157-C160 WeakPolarHBondContact O-CB 3.49Å; F157-C160 PolarHBondContact O-N 3.39Å; F157-C160 VanDerWaalsContact O-N 3.12Å; I158-C160 PolarHBondContact O-N 3.13Å; C160-K162 PolarHBondContact O-N 3.48Å; C160-S163 WeakPolarHBondContact O-CB 3.35Å; C160-S163 PolarHBondContact O-N 2.94Å; C160-W164 HydrophobicContact CB-CD2 4.36Å; C160-W164 HydrophobicContact CB-CE3 4.46Å; C160-W164 HydrophobicContact CB-CH2 4.02Å; C160-W164 HydrophobicContact CB-CZ2 3.88Å; C160-W164 HydrophobicContact CB-CZ3 4.3Å; C160-W164 PolarHBondContact O-N 3.39Å
161C98.7Very high98Very high0 Ų032.1 Ų32.10%016%0.158CC..Hα-helixtrans-57.9-51.7179.2-67.50000111.8D120 I125 F157 I158 S163 W164 I165D120-C161 HydrophobicContact CB-CB 3.75Å; D120-C161 WeakPolarHBondContact O-CB 3.39Å; I125-C161 HydrophobicContact CD1-CB 3.82Å; I125-C161 VanDerWaalsContact CD1-SG 3.51Å; F157-C161 VanDerWaalsContact CE1-SG 3.53Å; F157-C161 WeakPolarHBondContact CZ-SG 3.34Å; F157-C161 PolarHBondContact O-N 3.37Å; F157-C161 PolarHBondContact O-SG 3.07Å; I158-C161 PolarHBondContact O-N 2.75Å; C161-S163 VanDerWaalsContact C-N 3.29Å; C161-S163 PolarHBondContact O-N 2.9Å; C161-W164 PolarHBondContact O-N 3.01Å; C161-I165 WeakPolarHBondContact O-CG1 3.34Å; C161-I165 PolarHBondContact O-N 3.39Å; C161-I165 VanDerWaalsContact O-N 3.1Å
162K98.8Very high97.6Very high17 Ų1732.4 Ų32.47%0.07416%0.16CC..Hα-helixtrans-60.1-39.9177-66.2-179.5-169.7-65.70111.8F115 S116 L118 D120 I158 C160 N166F115-K162 HydrophobicContact CD1-CD 4.1Å; F115-K162 HydrophobicContact CE1-CB 4.34Å; F115-K162 HydrophobicContact CE1-CD 3.63Å; F115-K162 HydrophobicContact CE2-CB 4.4Å; F115-K162 HydrophobicContact CZ-CB 3.88Å; F115-K162 HydrophobicContact CZ-CD 4.08Å; S116-K162 PolarHBondContact O-NZ 3.48Å; L118-K162 HydrophobicContact CB-CB 4.14Å; L118-K162 HydrophobicContact CB-CD 4.08Å; L118-K162 HydrophobicContact CB-CG 4.09Å; L118-K162 HydrophobicContact CD1-CB 4.24Å; L118-K162 PolarHBondContact O-NZ 3.23Å; D120-K162 HydrophobicContact CB-CG 3.71Å; D120-K162 IonicContact OD2-NZ 3.71Å; D120-K162 PolarHBondContact OD2-NZ 3.14Å; I158-K162 HydrophobicContact CG2-CD 4.25Å; I158-K162 VanDerWaalsContact CG2-CE 3.49Å; I158-K162 WeakPolarHBondContact O-CG 3.32Å; I158-K162 PolarHBondContact O-N 3.21Å; C160-K162 PolarHBondContact O-N 3.48Å; K162-N166 WeakPolarHBondContact O-CB 3.41Å; K162-N166 PolarHBondContact O-N 2.83Å; K162-N166 PolarHBondContact O-ND2 3.16Å
163S98.6Very high97Very high1 Ų128.3 Ų28.31%0.00714%0.138CC..Hα-helixtrans-61.2-50.1175.4176.50000112.2F89 I159 C160 C161 I165 N166 S167F89-S163 WeakPolarHBondContact CE1-OG 3.2Å; I159-S163 VanDerWaalsContact O-CB 3.27Å; I159-S163 WeakPolarHBondContact O-CB 3.15Å; I159-S163 PolarHBondContact O-N 3.43Å; C160-S163 WeakPolarHBondContact O-CB 3.35Å; C160-S163 PolarHBondContact O-N 2.94Å; C161-S163 VanDerWaalsContact C-N 3.29Å; C161-S163 PolarHBondContact O-N 2.9Å; S163-I165 VanDerWaalsContact C-N 3.34Å; S163-I165 PolarHBondContact O-N 3.15Å; S163-N166 PolarHBondContact O-N 3.2Å; S163-S167 WeakPolarHBondContact O-CB 3.32Å; S163-S167 PolarHBondContact O-N 3.07Å; S163-S167 PolarHBondContact O-OG 3.31Å
164W98Very high96.2Very high51 Ų5129.1 Ų29.119%0.19315%0.146CC..Hα-helixtrans-64.3-36.2-177.2-64.4-25.4000113.6E86 I125 H134 F135 C160 C161E86-W164 PolarHBondContact OE1-NE1 2.97Å; I125-W164 HydrophobicContact CD1-CE3 4.08Å; I125-W164 HydrophobicContact CG2-CE3 4.37Å; I125-W164 HydrophobicContact CG2-CZ3 3.88Å; H134-W164 AromaticContact CD2-CZ2 3.64Å; F135-W164 HydrophobicContact CB-CH2 3.96Å; F135-W164 HydrophobicContact CD2-CH2 4.31Å; C160-W164 HydrophobicContact CB-CD2 4.36Å; C160-W164 HydrophobicContact CB-CE3 4.46Å; C160-W164 HydrophobicContact CB-CH2 4.02Å; C160-W164 HydrophobicContact CB-CZ2 3.88Å; C160-W164 HydrophobicContact CB-CZ3 4.3Å; C160-W164 PolarHBondContact O-N 3.39Å; C161-W164 PolarHBondContact O-N 3.01Å
165I98.3Very high95.6Very high10 Ų1026.4 Ų26.45%0.05114%0.144CC..Hα-helixtrans-78.7-39.9-179.3-61.4-54.7000112.1M119 D120 H121 C161 S163 K244 W245 Y246M119-I165 HydrophobicContact CB-CG2 4.31Å; M119-I165 HydrophobicContact CG-CG2 4.34Å; D120-I165 WeakPolarHBondContact O-CG1 3.07Å; H121-I165 HydrophobicContact CB-CD1 4.21Å; H121-I165 HydrophobicContact CB-CG1 4.31Å; C161-I165 WeakPolarHBondContact O-CG1 3.34Å; C161-I165 PolarHBondContact O-N 3.39Å; C161-I165 VanDerWaalsContact O-N 3.1Å; S163-I165 VanDerWaalsContact C-N 3.34Å; S163-I165 PolarHBondContact O-N 3.15Å; I165-K244 WeakPolarHBondContact CD1-O 3.3Å; I165-W245 PolarHBondContact O-NE1 2.7Å; I165-Y246 HydrophobicContact CD1-CD2 4.14Å; I165-Y246 HydrophobicContact CD1-CE2 4.02Å
166N98.4Very high95.1Very high23 Ų2324.6 Ų24.612%0.12314%0.139CC..Hα-helixtrans-107.8-6.5-166.2-58.9-90.8000114.8L118 M119 K162 S163 L182L118-N166 HydrophobicContact CD1-CB 4.29Å; L118-N166 HydrophobicContact CD2-CB 4.13Å; M119-N166 PolarHBondContact O-ND2 3.15Å; K162-N166 WeakPolarHBondContact O-CB 3.41Å; K162-N166 PolarHBondContact O-N 2.83Å; K162-N166 PolarHBondContact O-ND2 3.16Å; S163-N166 PolarHBondContact O-N 3.2Å; N166-L182 HydrophobicContact CB-CD1 3.67Å
167S98.2Very high94.9Very high11 Ų1128.5 Ų28.58%0.07716%0.157CC..EExtended strand (participates in β ladder)trans-80148.9175-560000111.6F89 S163 A181F89-S167 WeakPolarHBondContact CE1-OG 3.31Å; S163-S167 WeakPolarHBondContact O-CB 3.32Å; S163-S167 PolarHBondContact O-N 3.07Å; S163-S167 PolarHBondContact O-OG 3.31Å; S167-A181 CarbonylContact C-O 3.49Å; S167-A181 VanDerWaalsContact CA-O 3.27Å; S167-A181 WeakPolarHBondContact CA-O 3.4Å; S167-A181 WeakPolarHBondContact CB-O 3.45Å
168H96.8Very high94.8Very high29 Ų2928.5 Ų28.513%0.13416%0.157CC..EExtended strand (participates in β ladder)trans-125.4153.7175.661.2-85.2000110.7M180 A181 M199 F201H168-M180 CarbonylContact O-C 3.45Å; H168-M180 WeakPolarHBondContact O-CA 3.45Å; H168-A181 PolarHBondContact CE1-O 3.45Å; H168-A181 PolarHBondContact N-O 2.94Å; H168-A181 PolarHBondContact ND1-O 2.86Å; H168-A181 PolarHBondContact O-N 3.34Å; H168-M199 HydrophobicContact CB-CE 4.49Å; H168-F201 AromaticContact CD2-CE1 3.92Å; H168-F201 AromaticContact CD2-CZ 3.77Å; H168-F201 AromaticContact NE2-CE1 3.86Å
169S96.6Very high94.7Very high39 Ų3926.3 Ų26.327%0.27315%0.146SC..EExtended strand (participates in β ladder)trans-78.5135.7174.8-65.40000110.7H171 E177 F201S169-H171 WeakPolarHBondContact CB-CE1 3.42Å; S169-H171 PolarHBondContact O-CE1 3.16Å; S169-H171 PolarHBondContact O-ND1 2.95Å; S169-H171 VanDerWaalsContact O-ND1 3.09Å; S169-E177 VanDerWaalsContact CB-OE1 3.26Å; S169-E177 WeakPolarHBondContact CB-OE1 3.38Å; S169-E177 PolarHBondContact OG-OE1 2.62Å; S169-F201 WeakPolarHBondContact O-CZ 3.21Å
170V97.5Very high94.7Very high0 Ų027.9 Ų27.90%015%0.154CC..EExtended strand (participates in β ladder)trans-94.3127.8173.8-178.50000108.3L33 V178 G179 A181 F201 G203L33-V170 HydrophobicContact CD1-CB 4.22Å; L33-V170 HydrophobicContact CD1-CG1 3.98Å; L33-V170 HydrophobicContact CD1-CG2 4.32Å; V170-V178 HydrophobicContact CB-CG2 4.43Å; V170-V178 HydrophobicContact CG1-CG2 4.04Å; V170-V178 WeakPolarHBondContact O-CG2 3.22Å; V170-V178 PolarHBondContact O-N 3.05Å; V170-G179 PolarHBondContact N-O 3.4Å; V170-G179 PolarHBondContact O-N 2.9Å; V170-A181 HydrophobicContact CG2-CB 3.85Å; V170-F201 HydrophobicContact CB-CE1 4.47Å; V170-F201 HydrophobicContact CG1-CB 4.4Å; V170-F201 HydrophobicContact CG1-CD1 3.91Å; V170-F201 HydrophobicContact CG1-CE1 4.3Å; V170-F201 HydrophobicContact CG1-CG 4.05Å; V170-F201 HydrophobicContact CG2-CE1 4.18Å; V170-G203 WeakPolarHBondContact CG1-O 3.44Å
171H93.9Very high94.7Very high57 Ų5727.9 Ų27.926%0.26415%0.154SC..EExtended strand (participates in β ladder)trans-123.3152.7-175.4-55.182.1000111.4S169 T176 F201S169-H171 WeakPolarHBondContact CB-CE1 3.42Å; S169-H171 PolarHBondContact O-CE1 3.16Å; S169-H171 PolarHBondContact O-ND1 2.95Å; S169-H171 VanDerWaalsContact O-ND1 3.09Å; H171-T176 CarbonylContact C-O 3.55Å; H171-T176 WeakPolarHBondContact CA-O 3.41Å; H171-F201 HydrophobicContact CB-CD2 4.43Å; H171-F201 WeakPolarHBondContact O-CB 3.33Å
172T90.5Very high94.7Very high25 Ų2527.9 Ų27.915%0.15315%0.154CC..  trans-65.8166.3161.670.70000110.4Y28 L174 G175 T176 V178Y28-T172 HydrophobicContact CE1-CG2 3.71Å; T172-L174 PolarHBondContact O-N 3.19Å; T172-L174 VanDerWaalsContact O-N 3.14Å; T172-L174 PolarHBondContact OG1-N 2.97Å; T172-G175 PolarHBondContact O-N 2.98Å; T172-T176 PolarHBondContact N-O 3.07Å; T172-T176 WeakPolarHBondContact OG1-CB 3.48Å; T172-T176 PolarHBondContact OG1-N 3.38Å; T172-V178 HydrophobicContact CG2-CG1 3.51Å
173N84.6Confident94.7Very high8 Ų827.2 Ų27.24%0.04315%0.151CC..THydrogen-bonded Turntrans-66.7-11.7174.3-64.7-44.1000113.5F201 F423 H427 Y429N173-F201 PolarHBondContact OD1-O 2.87Å; N173-F423 HydrophobicContact CB-CE1 4.23Å; N173-H427 PolarHBondContact ND2-NE2 3.03Å; N173-Y429 HydrophobicContact CB-CD2 4.29Å; N173-Y429 HydrophobicContact CB-CE2 3.48Å; N173-Y429 VanDerWaalsContact CB-CE2 3.48Å
174L80.6Confident94.7Very high99 Ų9927.4 Ų27.452%0.51815%0.152SC..THydrogen-bonded Turntrans-87-6.7170-61.3178.4000113.3T172 Y429 F457T172-L174 PolarHBondContact O-N 3.19Å; T172-L174 VanDerWaalsContact O-N 3.14Å; T172-L174 PolarHBondContact OG1-N 2.97Å; L174-Y429 HydrophobicContact CD2-CE2 4.17Å; L174-Y429 VanDerWaalsContact CD2-OH 3.29Å; L174-Y429 WeakPolarHBondContact CD2-OH 3.42Å; L174-Y429 WeakPolarHBondContact CG-OH 3.33Å; L174-F457 HydrophobicContact CD2-CB 3.81Å
175G85.3Confident94.6Very high40 Ų4025 Ų2541%0.41214%0.144SC..  trans90.25.8-178.800000114.9T172 E177T172-G175 PolarHBondContact O-N 2.98Å; G175-E177 PolarHBondContact O-N 3.22Å
176T88.6Confident94.6Very high55 Ų5525 Ų2534%0.33714%0.143SC..  trans-68.5123.6171.7-49.80000109.2H171 T172 V178H171-T176 CarbonylContact C-O 3.55Å; H171-T176 WeakPolarHBondContact CA-O 3.41Å; T172-T176 PolarHBondContact N-O 3.07Å; T172-T176 WeakPolarHBondContact OG1-CB 3.48Å; T172-T176 PolarHBondContact OG1-N 3.38Å; T176-V178 PolarHBondContact O-N 3.42Å
177E94.4Very high94.6Very high81 Ų8124.9 Ų24.938%0.37915%0.145SC..EExtended strand (participates in β ladder)trans-71.3120.3173.5-163.8-177.2178.500110L21 Q24 S169 G175L21-E177 HydrophobicContact CD1-CB 4.33Å; L21-E177 HydrophobicContact CD1-CG 3.88Å; Q24-E177 PolarHBondContact NE2-O 2.8Å; S169-E177 VanDerWaalsContact CB-OE1 3.26Å; S169-E177 WeakPolarHBondContact CB-OE1 3.38Å; S169-E177 PolarHBondContact OG-OE1 2.62Å; G175-E177 PolarHBondContact O-N 3.22Å
178V96.6Very high94.5Very high1 Ų127.4 Ų27.41%0.00615%0.154CC..EExtended strand (participates in β ladder)trans-112.7-25.9-176.6-660000112.6L20 L21 Y28 L33 V170 T172 T176L20-V178 HydrophobicContact CD1-CB 4.48Å; L20-V178 WeakPolarHBondContact CD1-O 3.29Å; L21-V178 PolarHBondContact N-O 2.85Å; Y28-V178 HydrophobicContact CD1-CB 4.43Å; Y28-V178 HydrophobicContact CD1-CG1 3.79Å; Y28-V178 HydrophobicContact CD2-CG1 4Å; Y28-V178 HydrophobicContact CE1-CG1 3.51Å; Y28-V178 HydrophobicContact CE2-CG1 3.76Å; Y28-V178 HydrophobicContact CG-CB 4.44Å; Y28-V178 HydrophobicContact CG-CG1 4.03Å; Y28-V178 VanDerWaalsContact CZ-CG1 3.49Å; L33-V178 HydrophobicContact CB-CG2 4.33Å; V170-V178 HydrophobicContact CB-CG2 4.43Å; V170-V178 HydrophobicContact CG1-CG2 4.04Å; V170-V178 WeakPolarHBondContact O-CG2 3.22Å; V170-V178 PolarHBondContact O-N 3.05Å; T172-V178 HydrophobicContact CG2-CG1 3.51Å; T176-V178 PolarHBondContact O-N 3.42Å
179G97.9Very high94.6Very high0 Ų026.2 Ų26.20%015%0.149CC..EExtended strand (participates in β ladder)trans-161.9-175.4-174.300000112.5I19 V170I19-G179 CarbonylContact O-C 3.51Å; I19-G179 WeakPolarHBondContact O-CA 3.18Å; V170-G179 PolarHBondContact N-O 3.4Å; V170-G179 PolarHBondContact O-N 2.9Å
180M98.2Very high94.6Very high38 Ų3828.7 Ų28.719%0.18716%0.159CC..EExtended strand (participates in β ladder)trans-137.1153.2169.563-179.5-59.800109.6Y18 I19 F89 H168Y18-M180 CarbonylContact C-O 3.58Å; Y18-M180 VanDerWaalsContact CA-O 3.23Å; Y18-M180 WeakPolarHBondContact CA-O 3.38Å; I19-M180 HydrophobicContact CG2-CG 3.59Å; I19-M180 HydrophobicContact CG2-SD 4.36Å; I19-M180 PolarHBondContact N-O 3.36Å; I19-M180 PolarHBondContact O-N 2.97Å; F89-M180 HydrophobicContact CB-SD 4.25Å; F89-M180 HydrophobicContact CD1-CE 3.62Å; F89-M180 HydrophobicContact CD1-SD 4.13Å; F89-M180 HydrophobicContact CD2-CE 4.4Å; F89-M180 HydrophobicContact CD2-CG 3.85Å; F89-M180 HydrophobicContact CD2-SD 4.19Å; F89-M180 HydrophobicContact CE1-CE 3.59Å; F89-M180 HydrophobicContact CE2-CE 4.36Å; F89-M180 HydrophobicContact CE2-CG 3.94Å; F89-M180 HydrophobicContact CG-CE 4.03Å; F89-M180 HydrophobicContact CG-CG 4.22Å; F89-M180 HydrophobicContact CG-SD 3.93Å; F89-M180 HydrophobicContact CZ-CE 3.96Å; F89-M180 HydrophobicContact CZ-CG 4.41Å; H168-M180 CarbonylContact O-C 3.45Å; H168-M180 WeakPolarHBondContact O-CA 3.45Å
181A98.6Very high94.7Very high0 Ų029.4 Ų29.40%016%0.162CC..EExtended strand (participates in β ladder)trans-142.2144.4179.900000111.8P15 V17 S167 H168 V170P15-A181 HydrophobicContact CB-CB 4.17Å; V17-A181 CarbonylContact O-C 3.58Å; V17-A181 VanDerWaalsContact O-CA 3.26Å; V17-A181 WeakPolarHBondContact O-CA 3.33Å; S167-A181 CarbonylContact C-O 3.49Å; S167-A181 VanDerWaalsContact CA-O 3.27Å; S167-A181 WeakPolarHBondContact CA-O 3.4Å; S167-A181 WeakPolarHBondContact CB-O 3.45Å; H168-A181 PolarHBondContact CE1-O 3.45Å; H168-A181 PolarHBondContact N-O 2.94Å; H168-A181 PolarHBondContact ND1-O 2.86Å; H168-A181 PolarHBondContact O-N 3.34Å; V170-A181 HydrophobicContact CG2-CB 3.85Å
182L98.6Very high94.8Very high0 Ų027.2 Ų27.20%015%0.153CC..EExtended strand (participates in β ladder)trans-104.9109.8164.7177.763.4000106.1F16 V17 F89 I93 F115 L118 N166F16-L182 WeakPolarHBondContact CA-O 3.27Å; F16-L182 VanDerWaalsContact CB-O 3.32Å; F16-L182 WeakPolarHBondContact CB-O 3.39Å; F16-L182 HydrophobicContact CD1-CD2 4.1Å; F16-L182 PolarHBondContact N-O 3.43Å; V17-L182 PolarHBondContact N-O 2.71Å; V17-L182 VanDerWaalsContact N-O 3.15Å; V17-L182 PolarHBondContact O-N 3.4Å; F89-L182 HydrophobicContact CE1-CB 4.33Å; F89-L182 HydrophobicContact CZ-CB 3.75Å; I93-L182 HydrophobicContact CD1-CD2 3.93Å; I93-L182 HydrophobicContact CG1-CD2 4.38Å; F115-L182 HydrophobicContact CD2-CD2 3.91Å; F115-L182 HydrophobicContact CE2-CD2 3.6Å; L118-L182 HydrophobicContact CD1-CD1 3.98Å; L118-L182 HydrophobicContact CD1-CD2 4.17Å; N166-L182 HydrophobicContact CB-CD1 3.67Å
183D98.2Very high95.1Very high4 Ų426 Ų262%0.02115%0.145CC..  trans-118.4115.6179.3-172.7-55.6000108.9F12 P15 G185 I186 S187F12-D183 WeakPolarHBondContact CB-OD2 3.44Å; P15-D183 WeakPolarHBondContact CA-OD2 3.49Å; P15-D183 HydrophobicContact CB-CB 4.09Å; D183-G185 PolarHBondContact O-N 3.38Å; D183-G185 VanDerWaalsContact OD1-CA 3.3Å; D183-G185 WeakPolarHBondContact OD1-CA 3.41Å; D183-G185 PolarHBondContact OD1-N 3.06Å; D183-I186 HydrophobicContact CB-CB 4Å; D183-I186 HydrophobicContact CB-CD1 3.68Å; D183-I186 HydrophobicContact CB-CG1 3.92Å; D183-I186 PolarHBondContact O-N 3.35Å; D183-I186 PolarHBondContact OD1-N 2.92Å; D183-S187 WeakPolarHBondContact O-CB 3.48Å; D183-S187 PolarHBondContact O-N 3.43Å
184L98.4Very high95.6Very high5 Ų528.8 Ų28.83%0.02616%0.155CC..THydrogen-bonded Turntrans-68.3-21-176.1-62.9176.5000112.4F16 E110 E112 R113 L118 S187F16-L184 HydrophobicContact CB-CD1 3.99Å; F16-L184 HydrophobicContact CB-CG 3.85Å; F16-L184 HydrophobicContact CD2-CD1 3.48Å; F16-L184 VanDerWaalsContact CD2-CD1 3.48Å; F16-L184 HydrophobicContact CD2-CG 4.27Å; F16-L184 HydrophobicContact CE2-CD1 4.12Å; F16-L184 HydrophobicContact CG-CD1 3.91Å; F16-L184 HydrophobicContact CG-CG 4.2Å; E110-L184 HydrophobicContact CB-CD1 4.48Å; E110-L184 HydrophobicContact CG-CD1 4.19Å; E112-L184 HydrophobicContact CB-CB 4.48Å; R113-L184 WeakPolarHBondContact CD-O 3.26Å; R113-L184 HydrophobicContact CG-CB 3.93Å; R113-L184 VanDerWaalsContact CG-O 3.29Å; R113-L184 WeakPolarHBondContact CG-O 3.44Å; R113-L184 WeakPolarHBondContact O-CD1 3.34Å; L118-L184 HydrophobicContact CD1-CD2 3.72Å; L118-L184 HydrophobicContact CD2-CD2 3.85Å; L118-L184 HydrophobicContact CG-CD2 3.95Å; L184-S187 PolarHBondContact O-OG 2.67Å
185G97.6Very high96.4Very high1 Ų124.5 Ų24.51%0.0113%0.133CC..THydrogen-bonded Turntrans-77.7-47.7172.300000112.1F12 D183 S187 K188 Y189F12-G185 VanDerWaalsContact CE1-CA 3.46Å; D183-G185 PolarHBondContact O-N 3.38Å; D183-G185 VanDerWaalsContact OD1-CA 3.3Å; D183-G185 WeakPolarHBondContact OD1-CA 3.41Å; D183-G185 PolarHBondContact OD1-N 3.06Å; G185-S187 VanDerWaalsContact C-N 3.32Å; G185-S187 PolarHBondContact O-N 3.39Å; G185-K188 WeakPolarHBondContact O-CB 3.32Å; G185-K188 WeakPolarHBondContact O-CG 3.12Å; G185-K188 PolarHBondContact O-N 3.11Å; G185-Y189 WeakPolarHBondContact O-CD2 3.35Å; G185-Y189 WeakPolarHBondContact O-CE2 3.13Å
186I97.7Very high96.9Very high8 Ų824 Ų244%0.04112%0.121CC..G310 helixtrans-67.7-33.1-179.7-59.9170.4000111.6F12 D183 K188 Y189 M199 A206 I225F12-I186 HydrophobicContact CB-CD1 4.35Å; F12-I186 HydrophobicContact CB-CG1 4.27Å; F12-I186 HydrophobicContact CD2-CD1 4.28Å; F12-I186 HydrophobicContact CD2-CG1 3.55Å; F12-I186 HydrophobicContact CE2-CG1 3.99Å; F12-I186 HydrophobicContact CG-CD1 4.5Å; F12-I186 HydrophobicContact CG-CG1 3.91Å; D183-I186 HydrophobicContact CB-CB 4Å; D183-I186 HydrophobicContact CB-CD1 3.68Å; D183-I186 HydrophobicContact CB-CG1 3.92Å; D183-I186 PolarHBondContact O-N 3.35Å; D183-I186 PolarHBondContact OD1-N 2.92Å; I186-K188 PolarHBondContact O-N 3.33Å; I186-Y189 WeakPolarHBondContact O-CD2 3.41Å; I186-Y189 PolarHBondContact O-N 3.35Å; I186-M199 HydrophobicContact CD1-SD 4.07Å; I186-M199 HydrophobicContact CG2-SD 4.05Å; I186-A206 HydrophobicContact CD1-CB 3.22Å; I186-A206 HydrophobicContact CG1-CB 4.31Å; I186-I225 HydrophobicContact CG2-CD1 4.13Å
187S97.4Very high97.3Very high22 Ų2221.4 Ų21.415%0.15411%0.105CC..G310 helixtrans-64-5.9178.271.80000114.4L118 D183 L184 G185L118-S187 WeakPolarHBondContact CD2-OG 3.12Å; D183-S187 WeakPolarHBondContact O-CB 3.48Å; D183-S187 PolarHBondContact O-N 3.43Å; L184-S187 PolarHBondContact O-OG 2.67Å; G185-S187 VanDerWaalsContact C-N 3.32Å; G185-S187 PolarHBondContact O-N 3.39Å
188K97.2Very high97.3Very high64 Ų6418.2 Ų18.228%0.2789%0.091SC..G310 helixtrans-82.1-16.5172.7-60.5173.8-179.6177.40113.8E112 G185 I186 P220E112-K188 VanDerWaalsContact C-NZ 3.3Å; E112-K188 WeakPolarHBondContact O-CE 3.45Å; E112-K188 PolarHBondContact O-NZ 2.99Å; E112-K188 IonicContact OE2-NZ 2.67Å; E112-K188 PolarHBondContact OE2-NZ 3.27Å; G185-K188 WeakPolarHBondContact O-CB 3.32Å; G185-K188 WeakPolarHBondContact O-CG 3.12Å; G185-K188 PolarHBondContact O-N 3.11Å; I186-K188 PolarHBondContact O-N 3.33Å; K188-P220 HydrophobicContact CB-CB 4.09Å; K188-P220 HydrophobicContact CB-CG 4.32Å
189Y98Very high97.3Very high4 Ų419.8 Ų19.82%0.01610%0.099CC..PPolyproline II helixtrans-91.3120.2-169.5-71.6-101.9000111F12 G185 I186 L208 A217 P220 A223 I225 Y227F12-Y189 AromaticContact CE2-CE2 3.8Å; F12-Y189 HydrophobicContact CE2-CE2 3.8Å; F12-Y189 AromaticContact CZ-CE2 3.61Å; F12-Y189 HydrophobicContact CZ-CE2 3.61Å; G185-Y189 WeakPolarHBondContact O-CD2 3.35Å; G185-Y189 WeakPolarHBondContact O-CE2 3.13Å; I186-Y189 WeakPolarHBondContact O-CD2 3.41Å; I186-Y189 PolarHBondContact O-N 3.35Å; Y189-L208 HydrophobicContact CD1-CD1 3.76Å; Y189-L208 HydrophobicContact CD2-CD1 4.09Å; Y189-L208 HydrophobicContact CE1-CD1 3.4Å; Y189-L208 VanDerWaalsContact CE1-CD1 3.4Å; Y189-L208 HydrophobicContact CE2-CD1 3.78Å; Y189-L208 HydrophobicContact CG-CD1 4.09Å; Y189-L208 VanDerWaalsContact CZ-CD1 3.42Å; Y189-A217 VanDerWaalsContact CE1-O 3.25Å; Y189-A217 WeakPolarHBondContact CE1-O 3.17Å; Y189-A217 PolarHBondContact OH-O 3.06Å; Y189-P220 HydrophobicContact CD1-CB 4.19Å; Y189-P220 HydrophobicContact CD2-CB 4.37Å; Y189-P220 HydrophobicContact CE1-CB 4.17Å; Y189-P220 HydrophobicContact CE2-CB 4.34Å; Y189-P220 HydrophobicContact CG-CB 4.29Å; Y189-A223 HydrophobicContact CD1-CB 3.67Å; Y189-A223 HydrophobicContact CE1-CB 3.56Å; Y189-I225 HydrophobicContact CD1-CG2 4.46Å; Y189-Y227 VanDerWaalsContact O-CE1 3.29Å; Y189-Y227 WeakPolarHBondContact O-CE1 3.43Å; Y189-Y227 PolarHBondContact O-OH 3.45Å
190D97.7Very high97Very high91 Ų9120 Ų2049%0.48710%0.101SC..PPolyproline II helixtrans-70.7151.6178.3-74.4-35000113.7R224 I225 Y227D190-R224 WeakPolarHBondContact O-CA 3.29Å; D190-R224 VanDerWaalsContact O-CD 3.29Å; D190-R224 WeakPolarHBondContact O-CD 3.47Å; D190-I225 PolarHBondContact O-N 3.16Å; D190-I225 VanDerWaalsContact O-N 3.11Å; D190-Y227 VanDerWaalsContact CA-OH 3.32Å; D190-Y227 WeakPolarHBondContact CA-OH 3.27Å
191H97.9Very high96.8Very high15 Ų1518.9 Ų18.97%0.06910%0.095CC..BIsolated β-bridgetrans-70.8143.1173.6-177.452.7000113.2C193 I225 Y227 L241 F247H191-C193 PolarHBondContact NE2-N 3.07Å; H191-C193 PolarHBondContact NE2-SG 2.86Å; H191-I225 CarbonylContact C-O 3.6Å; H191-I225 VanDerWaalsContact CA-O 3.26Å; H191-I225 WeakPolarHBondContact CA-O 3.48Å; H191-I225 PolarHBondContact ND1-O 3.3Å; H191-I225 VanDerWaalsContact ND1-O 3.13Å; H191-Y227 HydrophobicContact CB-CD1 3.86Å; H191-Y227 HydrophobicContact CB-CD2 3.68Å; H191-Y227 HydrophobicContact CB-CE1 3.79Å; H191-Y227 HydrophobicContact CB-CE2 3.64Å; H191-Y227 HydrophobicContact CB-CG 3.77Å; H191-Y227 AromaticContact CG-CG 4Å; H191-Y227 VanDerWaalsContact N-CZ 3.33Å; H191-Y227 PolarHBondContact N-OH 3.19Å; H191-Y227 AromaticContact ND1-CG 3.91Å; H191-Y227 PolarHBondContact ND1-N 2.91Å; H191-L241 VanDerWaalsContact CD2-CD1 3.42Å; H191-L241 WeakPolarHBondContact CD2-CD1 3.29Å; H191-F247 HydrophobicContact CB-CZ 3.8Å
192S97.6Very high96.5Very high10 Ų1020.8 Ų20.87%0.0711%0.105CC..  trans-136.4140.7155.21790000110.7R194 P195 I225 C251S192-R194 WeakPolarHBondContact CB-O 3.37Å; S192-R194 PolarHBondContact O-N 3.09Å; S192-R194 PolarHBondContact OG-N 3.36Å; S192-R194 PolarHBondContact OG-O 2.98Å; S192-P195 WeakPolarHBondContact O-CD 3.43Å; S192-I225 PolarHBondContact N-O 2.95Å; S192-C251 WeakPolarHBondContact OG-CB 3.21Å
193C96.5Very high96.3Very high0 Ų021.2 Ų21.20%011%0.109CC..SBendtrans-74.9-6.4168.5-63.90000113.5H191 V230 R237 C251 R253 C254H191-C193 PolarHBondContact NE2-N 3.07Å; H191-C193 PolarHBondContact NE2-SG 2.86Å; C193-V230 HydrophobicContact CB-CG1 4.46Å; C193-R237 PolarHBondContact SG-NH1 3.42Å; C193-C251 PolarHBondContact N-SG 3.19Å; C193-R253 WeakPolarHBondContact O-CD 3.49Å; C193-R253 PolarHBondContact O-NH1 3.34Å; C193-R253 VanDerWaalsContact O-NH1 3.14Å; C193-C254 VanDerWaalsContact SG-SG 3.66Å
194R95.4Very high96.2Very high67 Ų6722 Ų2225%0.25311%0.112SC..SBendtrans-121.378.4160.2-171.674.365.2178.5-3.4107.5S192 E252 R253 K379 C380 L381S192-R194 WeakPolarHBondContact CB-O 3.37Å; S192-R194 PolarHBondContact O-N 3.09Å; S192-R194 PolarHBondContact OG-N 3.36Å; S192-R194 PolarHBondContact OG-O 2.98Å; R194-E252 HydrophobicContact CB-CG 4.26Å; R194-E252 WeakPolarHBondContact CG-OE1 3.46Å; R194-R253 HydrophobicContact CB-CB 4.14Å; R194-K379 PolarHBondContact NH2-O 2.98Å; R194-C380 PolarHBondContact NH1-O 2.86Å; R194-L381 PolarHBondContact NH1-O 3.41Å
195P96.6Very high96Very high8 Ų825.2 Ų25.25%0.05213%0.126CC..  trans-67.2146-178.931.2-36.5000109.8S192 R224 A226 P382S192-P195 WeakPolarHBondContact O-CD 3.43Å; P195-R224 WeakPolarHBondContact CA-O 3.33Å; P195-R224 VanDerWaalsContact CB-O 3.26Å; P195-R224 WeakPolarHBondContact CB-O 3.35Å; P195-A226 HydrophobicContact CB-CB 4.42Å; P195-A226 HydrophobicContact CG-CB 4.09Å; P195-P382 HydrophobicContact CG-CG 3.89Å; P195-P382 WeakPolarHBondContact O-CG 3.29Å
196N96Very high96Very high29 Ų2925.1 Ų25.116%0.15513%0.126CC..SBendtrans-104.7-2.5172.864.33.9000111.9L211 V212 I215 K222 A223 R224N196-L211 PolarHBondContact O-N 2.92Å; N196-V212 HydrophobicContact CB-CG2 3.97Å; N196-I215 HydrophobicContact CB-CG1 4.28Å; N196-I215 WeakPolarHBondContact ND2-CD1 3.36Å; N196-K222 PolarHBondContact ND2-O 3.41Å; N196-A223 WeakPolarHBondContact OD1-CA 3.47Å; N196-R224 PolarHBondContact N-O 2.89Å; N196-R224 PolarHBondContact OD1-N 3.18Å; N196-R224 PolarHBondContact OD1-O 3.31Å
197V96.9Very high95.9Very high1 Ų126 Ų261%0.00613%0.13CC..EExtended strand (participates in β ladder)trans-131.3135.8175170.20000108.6L208 R209 I215 A217 A223 R224 I225V197-L208 HydrophobicContact CG1-CB 3.68Å; V197-L208 HydrophobicContact CG1-CD1 4.3Å; V197-L208 HydrophobicContact CG1-CD2 4.22Å; V197-L208 HydrophobicContact CG1-CG 4.28Å; V197-R209 CarbonylContact C-O 3.24Å; V197-R209 VanDerWaalsContact CA-O 3.3Å; V197-R209 WeakPolarHBondContact CA-O 3.37Å; V197-I215 HydrophobicContact CG2-CG2 3.8Å; V197-A217 HydrophobicContact CG1-CB 4.2Å; V197-A217 HydrophobicContact CG2-CB 4.05Å; V197-A223 HydrophobicContact CB-CB 4.49Å; V197-A223 HydrophobicContact CG2-CB 3.73Å; V197-R224 PolarHBondContact N-O 3.1Å; V197-I225 HydrophobicContact CB-CG2 4.25Å; V197-I225 HydrophobicContact CG1-CG2 4.02Å
198T95Very high95.8Very high14 Ų1424.9 Ų24.99%0.08612%0.122CC..EExtended strand (participates in β ladder)trans-101.7147.8171-169.70000110.5V200 L208 R209 L211T198-V200 HydrophobicContact CG2-CG1 4.48Å; T198-L208 WeakPolarHBondContact O-CA 3.46Å; T198-R209 HydrophobicContact CG2-CB 4.1Å; T198-R209 PolarHBondContact N-O 3.37Å; T198-R209 PolarHBondContact O-N 2.92Å; T198-L211 HydrophobicContact CG2-CD2 3.76Å; T198-L211 HydrophobicContact CG2-CG 4.24Å
199M94.9Very high95.7Very high35 Ų3523.5 Ų23.517%0.17212%0.115CC..EExtended strand (participates in β ladder)trans-107.4121.3173.2-175168.762.900109.2H168 I186 F201 A206 L208 R386H168-M199 HydrophobicContact CB-CE 4.49Å; I186-M199 HydrophobicContact CD1-SD 4.07Å; I186-M199 HydrophobicContact CG2-SD 4.05Å; M199-F201 HydrophobicContact CE-CE2 4.34Å; M199-F201 HydrophobicContact CE-CZ 3.75Å; M199-F201 HydrophobicContact CG-CE1 4.42Å; M199-F201 HydrophobicContact CG-CE2 4.4Å; M199-F201 HydrophobicContact CG-CZ 4.05Å; M199-F201 HydrophobicContact SD-CE1 4.35Å; M199-F201 HydrophobicContact SD-CZ 3.98Å; M199-A206 HydrophobicContact CG-CB 4.27Å; M199-A206 HydrophobicContact SD-CB 4.2Å; M199-L208 HydrophobicContact CB-CD2 3.62Å; M199-L208 HydrophobicContact CG-CD2 3.72Å; M199-L208 HydrophobicContact SD-CD2 4.16Å; M199-R386 PolarHBondContact O-NH1 3.46Å
200V93.3Very high95.6Very high5 Ų523.9 Ų23.93%0.0312%0.118CC..EExtended strand (participates in β ladder)trans-123.7161.6172.9-60.20000109.6T198 I207 C422 F423T198-V200 HydrophobicContact CG2-CG1 4.48Å; V200-I207 HydrophobicContact CG2-CB 3.92Å; V200-I207 HydrophobicContact CG2-CG2 4.38Å; V200-I207 PolarHBondContact N-O 3.08Å; V200-I207 PolarHBondContact O-N 3.3Å; V200-C422 WeakPolarHBondContact CG1-O 3.26Å; V200-F423 HydrophobicContact CB-CD1 4.4Å; V200-F423 HydrophobicContact CG1-CD1 3.99Å; V200-F423 HydrophobicContact CG1-CE1 3.98Å
201F93.8Very high95.4Very high14 Ų1420.2 Ų20.26%0.06110%0.099CC..EExtended strand (participates in β ladder)trans-122.2137.8-172.7-63.5-80.6000112.3H168 S169 V170 H171 N173 M199 K205 A206H168-F201 AromaticContact CD2-CE1 3.92Å; H168-F201 AromaticContact CD2-CZ 3.77Å; H168-F201 AromaticContact NE2-CE1 3.86Å; S169-F201 WeakPolarHBondContact O-CZ 3.21Å; V170-F201 HydrophobicContact CB-CE1 4.47Å; V170-F201 HydrophobicContact CG1-CB 4.4Å; V170-F201 HydrophobicContact CG1-CD1 3.91Å; V170-F201 HydrophobicContact CG1-CE1 4.3Å; V170-F201 HydrophobicContact CG1-CG 4.05Å; V170-F201 HydrophobicContact CG2-CE1 4.18Å; H171-F201 HydrophobicContact CB-CD2 4.43Å; H171-F201 WeakPolarHBondContact O-CB 3.33Å; N173-F201 PolarHBondContact OD1-O 2.87Å; M199-F201 HydrophobicContact CE-CE2 4.34Å; M199-F201 HydrophobicContact CE-CZ 3.75Å; M199-F201 HydrophobicContact CG-CE1 4.42Å; M199-F201 HydrophobicContact CG-CE2 4.4Å; M199-F201 HydrophobicContact CG-CZ 4.05Å; M199-F201 HydrophobicContact SD-CE1 4.35Å; M199-F201 HydrophobicContact SD-CZ 3.98Å; F201-K205 VanDerWaalsContact CA-O 3.27Å; F201-K205 WeakPolarHBondContact CA-O 3.37Å; F201-A206 HydrophobicContact CD1-CB 4.16Å; F201-A206 HydrophobicContact CE1-CB 3.92Å
202D92.3Very high95Very high39 Ų3923 Ų2321%0.20912%0.117CC..EExtended strand (participates in β ladder)trans-111.188159.5174.622.4000108.2Q34 F204 K205 I207Q34-D202 PolarHBondContact NE2-OD1 3.41Å; D202-F204 PolarHBondContact O-N 2.83Å; D202-K205 PolarHBondContact N-O 3.35Å; D202-K205 WeakPolarHBondContact O-CB 3.35Å; D202-K205 PolarHBondContact O-N 3.13Å; D202-I207 HydrophobicContact CB-CD1 4.08Å
203G93.9Very high94.5Very high9 Ų931.3 Ų31.39%0.09315%0.154CC..THydrogen-bonded Turntrans66.7-127.1-169.300000111.6C32 V170 K205C32-G203 CarbonylContact O-C 3.55Å; C32-G203 WeakPolarHBondContact O-CA 3.35Å; V170-G203 WeakPolarHBondContact CG1-O 3.44Å; G203-K205 VanDerWaalsContact C-N 3.28Å
204F95.2Very high94.1Very high20 Ų2035.3 Ų35.39%0.08820%0.195CC..THydrogen-bonded Turntrans-78.9-9.1174.564.7-100.4000113.8D13 P15 Y18 Y31 C32 L33 D202D13-F204 WeakPolarHBondContact O-CE2 3.38Å; P15-F204 HydrophobicContact CG-CD2 3.89Å; Y18-F204 HydrophobicContact CD1-CB 4.41Å; Y18-F204 HydrophobicContact CD1-CD2 4.49Å; Y18-F204 HydrophobicContact CD1-CG 4.39Å; Y18-F204 HydrophobicContact CD2-CB 3.82Å; Y18-F204 HydrophobicContact CD2-CD1 4.47Å; Y18-F204 HydrophobicContact CD2-CG 4.27Å; Y18-F204 HydrophobicContact CE1-CD1 4.41Å; Y18-F204 HydrophobicContact CE1-CD2 4.36Å; Y18-F204 HydrophobicContact CE1-CG 4.25Å; Y18-F204 HydrophobicContact CE2-CB 4.15Å; Y18-F204 AromaticContact CE2-CD1 3.93Å; Y18-F204 HydrophobicContact CE2-CD1 3.93Å; Y18-F204 HydrophobicContact CE2-CG 4.14Å; Y18-F204 HydrophobicContact CG-CB 3.95Å; Y18-F204 HydrophobicContact CG-CG 4.37Å; Y18-F204 AromaticContact CZ-CD1 3.87Å; Y31-F204 HydrophobicContact CE1-CE1 4.25Å; Y31-F204 VanDerWaalsContact O-CD1 3.23Å; Y31-F204 WeakPolarHBondContact O-CD1 3.28Å; C32-F204 PolarHBondContact O-N 3.16Å; L33-F204 HydrophobicContact CD1-CB 3.83Å; L33-F204 HydrophobicContact CG-CB 4.14Å; D202-F204 PolarHBondContact O-N 2.83Å
205K95.7Very high94Very high73 Ų7333.7 Ų33.732%0.31719%0.191SC..EExtended strand (participates in β ladder)trans-78.5127.9-178.9-54.4-178.5178.5-1780109.7F12 D13 F201 D202 G203F12-K205 CarbonylContact O-C 3.51Å; F12-K205 WeakPolarHBondContact O-CA 3.41Å; D13-K205 HydrophobicContact CB-CB 4.34Å; D13-K205 HydrophobicContact CB-CD 3.75Å; D13-K205 HydrophobicContact CB-CG 3.79Å; F201-K205 VanDerWaalsContact CA-O 3.27Å; F201-K205 WeakPolarHBondContact CA-O 3.37Å; D202-K205 PolarHBondContact N-O 3.35Å; D202-K205 WeakPolarHBondContact O-CB 3.35Å; D202-K205 PolarHBondContact O-N 3.13Å; G203-K205 VanDerWaalsContact C-N 3.28Å
206A96.3Very high93.9Very high0 Ų036.1 Ų36.10%020%0.204CC..EExtended strand (participates in β ladder)trans-92.2136.9171.800000110.5F12 I186 M199 F201F12-A206 HydrophobicContact CB-CB 4.42Å; F12-A206 PolarHBondContact N-O 3.08Å; F12-A206 PolarHBondContact O-N 3.12Å; I186-A206 HydrophobicContact CD1-CB 3.22Å; I186-A206 HydrophobicContact CG1-CB 4.31Å; M199-A206 HydrophobicContact CG-CB 4.27Å; M199-A206 HydrophobicContact SD-CB 4.2Å; F201-A206 HydrophobicContact CD1-CB 4.16Å; F201-A206 HydrophobicContact CE1-CB 3.92Å
207I95.6Very high93.9Very high25 Ų2534.7 Ų34.713%0.12820%0.196CC..EExtended strand (participates in β ladder)trans-124.2112.5-179.9-54171.2000107.1V9 I11 V200 D202 R209V9-I207 HydrophobicContact CG1-CG2 3.51Å; I11-I207 HydrophobicContact CG1-CG1 4.44Å; I11-I207 HydrophobicContact CG1-CG2 4.3Å; V200-I207 HydrophobicContact CG2-CB 3.92Å; V200-I207 HydrophobicContact CG2-CG2 4.38Å; V200-I207 PolarHBondContact N-O 3.08Å; V200-I207 PolarHBondContact O-N 3.3Å; D202-I207 HydrophobicContact CB-CD1 4.08Å; I207-R209 HydrophobicContact CG2-CG 3.92Å
208L96.9Very high93.8Very high0 Ų036.1 Ų36.10%021%0.211CC..EExtended strand (participates in β ladder)trans-91.2120175.9-64.1-163.5000109.8V9 K10 F12 Y189 V197 T198 M199 A217 I225V9-L208 WeakPolarHBondContact CA-O 3.35Å; V9-L208 WeakPolarHBondContact CG1-O 3.36Å; K10-L208 HydrophobicContact CB-CB 4.31Å; K10-L208 PolarHBondContact N-O 3.23Å; K10-L208 PolarHBondContact O-N 2.74Å; F12-L208 HydrophobicContact CD2-CG 4.37Å; F12-L208 HydrophobicContact CE2-CD1 3.79Å; F12-L208 HydrophobicContact CE2-CG 4.1Å; Y189-L208 HydrophobicContact CD1-CD1 3.76Å; Y189-L208 HydrophobicContact CD2-CD1 4.09Å; Y189-L208 HydrophobicContact CE1-CD1 3.4Å; Y189-L208 VanDerWaalsContact CE1-CD1 3.4Å; Y189-L208 HydrophobicContact CE2-CD1 3.78Å; Y189-L208 HydrophobicContact CG-CD1 4.09Å; Y189-L208 VanDerWaalsContact CZ-CD1 3.42Å; V197-L208 HydrophobicContact CG1-CB 3.68Å; V197-L208 HydrophobicContact CG1-CD1 4.3Å; V197-L208 HydrophobicContact CG1-CD2 4.22Å; V197-L208 HydrophobicContact CG1-CG 4.28Å; T198-L208 WeakPolarHBondContact O-CA 3.46Å; M199-L208 HydrophobicContact CB-CD2 3.62Å; M199-L208 HydrophobicContact CG-CD2 3.72Å; M199-L208 HydrophobicContact SD-CD2 4.16Å; L208-A217 HydrophobicContact CB-CB 4.03Å; L208-A217 WeakPolarHBondContact O-CB 3.4Å; L208-I225 HydrophobicContact CD1-CG2 4.48Å; L208-I225 HydrophobicContact CD2-CG2 4.22Å
209R95.1Very high93.9Very high34 Ų3436.3 Ų36.313%0.12821%0.211CC..EExtended strand (participates in β ladder)trans-121.3134.1-178.8-52.2-173.590.889.80.8110.9V9 V197 T198 I207 I421 C422 F423V9-R209 HydrophobicContact CG1-CG 4.27Å; V9-R209 HydrophobicContact CG2-CG 4.18Å; V197-R209 CarbonylContact C-O 3.24Å; V197-R209 VanDerWaalsContact CA-O 3.3Å; V197-R209 WeakPolarHBondContact CA-O 3.37Å; T198-R209 HydrophobicContact CG2-CB 4.1Å; T198-R209 PolarHBondContact N-O 3.37Å; T198-R209 PolarHBondContact O-N 2.92Å; I207-R209 HydrophobicContact CG2-CG 3.92Å; R209-I421 VanDerWaalsContact CD-O 3.32Å; R209-I421 WeakPolarHBondContact CD-O 3.41Å; R209-I421 PolarHBondContact NE-O 2.89Å; R209-C422 WeakPolarHBondContact CD-O 3.29Å; R209-F423 PolarHBondContact NH1-O 3Å
210P95.2Very high94Very high12 Ų1236.2 Ų36.28%0.07821%0.213CC..EExtended strand (participates in β ladder)trans-68.9133.4177.229.8-33.5000110.6I7 I215 I421I7-P210 HydrophobicContact CG2-CG 3.63Å; P210-I215 HydrophobicContact CB-CB 4.02Å; P210-I215 HydrophobicContact CB-CG2 4.18Å; P210-I215 WeakPolarHBondContact CB-O 3.36Å; P210-I421 WeakPolarHBondContact O-CG2 3.29Å
211L93.6Very high94.1Very high14 Ų1445.1 Ų45.17%0.07325%0.247CC..SBendtrans-89.7-12.8176.8-68172.9000112.7N196 T198 P382 A384N196-L211 PolarHBondContact O-N 2.92Å; T198-L211 HydrophobicContact CG2-CD2 3.76Å; T198-L211 HydrophobicContact CG2-CG 4.24Å; L211-P382 HydrophobicContact CD1-CB 3.81Å; L211-P382 HydrophobicContact CD1-CG 3.83Å; L211-A384 HydrophobicContact CD2-CB 4.07Å; L211-A384 WeakPolarHBondContact CD2-O 3.02Å
212V88.9Confident94.2Very high74 Ų7450.6 Ų50.645%0.44827%0.27SS..SBendtrans-136.3149.8-179-58.50000109.7N196 I215N196-V212 HydrophobicContact CB-CG2 3.97Å; V212-I215 HydrophobicContact CG2-CB 4.37Å; V212-I215 HydrophobicContact CG2-CD1 4.49Å; V212-I215 HydrophobicContact CG2-CG1 3.43Å; V212-I215 VanDerWaalsContact CG2-CG1 3.43Å
213H86.8Confident94.4Very high184 Ų18448.7 Ų48.785%0.85226%0.26SS*.THydrogen-bonded Turntrans-63.8146.8-180-69.5-70.5000112.2I215H213-I215 VanDerWaalsContact C-N 3.33Å
214G89.3Confident94.6Very high84 Ų8451.6 Ų51.687%0.86627%0.268SS*.THydrogen-bonded Turntrans80.56.3176.200000115.5
215I91.9Very high94.7Very high33 Ų3351 Ų5117%0.16927%0.266CS..  trans-96.4125.2173.9-64.7-62.4000110.3N196 V197 P210 V212 H213N196-I215 HydrophobicContact CB-CG1 4.28Å; N196-I215 WeakPolarHBondContact ND2-CD1 3.36Å; V197-I215 HydrophobicContact CG2-CG2 3.8Å; P210-I215 HydrophobicContact CB-CB 4.02Å; P210-I215 HydrophobicContact CB-CG2 4.18Å; P210-I215 WeakPolarHBondContact CB-O 3.36Å; V212-I215 HydrophobicContact CG2-CB 4.37Å; V212-I215 HydrophobicContact CG2-CD1 4.49Å; V212-I215 HydrophobicContact CG2-CG1 3.43Å; V212-I215 VanDerWaalsContact CG2-CG1 3.43Å; H213-I215 VanDerWaalsContact C-N 3.33Å
216D94.6Very high94.7Very high59 Ų5949.3 Ų49.332%0.31627%0.266SS..  trans-80.5113.9164.7-171.6-8.9000109.2Q8 G218 D219Q8-D216 HydrophobicContact CB-CB 4.43Å; Q8-D216 VanDerWaalsContact OE1-CA 3.32Å; D216-G218 PolarHBondContact O-N 2.89Å; D216-G218 WeakPolarHBondContact OD1-CA 3.21Å; D216-G218 PolarHBondContact OD1-N 3.44Å; D216-D219 HydrophobicContact CB-CB 4.14Å; D216-D219 PolarHBondContact O-N 3.22Å
217A96Very high94.7Very high0 Ų052.6 Ų52.60%028%0.279CS..THydrogen-bonded Turntrans-71.4-10.3175.800000113.1Q8 K10 Y189 V197 L208Q8-A217 WeakPolarHBondContact O-CB 3.4Å; Q8-A217 PolarHBondContact O-N 3.42Å; K10-A217 HydrophobicContact CB-CB 4.43Å; Y189-A217 VanDerWaalsContact CE1-O 3.25Å; Y189-A217 WeakPolarHBondContact CE1-O 3.17Å; Y189-A217 PolarHBondContact OH-O 3.06Å; V197-A217 HydrophobicContact CG1-CB 4.2Å; V197-A217 HydrophobicContact CG2-CB 4.05Å; L208-A217 HydrophobicContact CB-CB 4.03Å; L208-A217 WeakPolarHBondContact O-CB 3.4Å
218G95.8Very high94.6Very high30 Ų3052 Ų5231%0.30928%0.275SS..THydrogen-bonded Turntrans-88.3-11.5174.500000115.1D216 P220D216-G218 PolarHBondContact O-N 2.89Å; D216-G218 WeakPolarHBondContact OD1-CA 3.21Å; D216-G218 PolarHBondContact OD1-N 3.44Å; G218-P220 WeakPolarHBondContact O-CD 3.26Å
219D96.5Very high94.4Very high18 Ų1854.9 Ų54.910%0.09629%0.291CS..  trans-97.396.1177.5-173.4-4.3000111.1D216 R221 K222 A223D216-D219 HydrophobicContact CB-CB 4.14Å; D216-D219 PolarHBondContact O-N 3.22Å; D219-R221 PolarHBondContact O-N 2.67Å; D219-R221 VanDerWaalsContact OD1-CB 3.24Å; D219-R221 WeakPolarHBondContact OD1-CB 3.49Å; D219-R221 WeakPolarHBondContact OD1-CG 3.31Å; D219-R221 IonicContact OD1-CZ 3.76Å; D219-R221 PolarHBondContact OD1-N 2.94Å; D219-R221 IonicContact OD1-NE 3.93Å; D219-R221 PolarHBondContact OD1-NE 3.45Å; D219-R221 IonicContact OD1-NH2 2.91Å; D219-R221 IonicContact OD2-CZ 3.88Å; D219-R221 IonicContact OD2-NE 3.87Å; D219-R221 PolarHBondContact OD2-NE 2.96Å; D219-R221 IonicContact OD2-NH2 3.01Å; D219-R221 PolarHBondContact OD2-NH2 3.44Å; D219-K222 PolarHBondContact O-N 3.42Å; D219-A223 WeakPolarHBondContact O-CB 3.48Å; D219-A223 PolarHBondContact O-N 2.97Å
220P96.6Very high94.3Very high34 Ų3453.6 Ų53.622%0.22129%0.287CS..THydrogen-bonded Turntrans-62-16.6-179.225.6-35.2000113.5K188 Y189 G218 K222 R224K188-P220 HydrophobicContact CB-CB 4.09Å; K188-P220 HydrophobicContact CB-CG 4.32Å; Y189-P220 HydrophobicContact CD1-CB 4.19Å; Y189-P220 HydrophobicContact CD2-CB 4.37Å; Y189-P220 HydrophobicContact CE1-CB 4.17Å; Y189-P220 HydrophobicContact CE2-CB 4.34Å; Y189-P220 HydrophobicContact CG-CB 4.29Å; G218-P220 WeakPolarHBondContact O-CD 3.26Å; P220-K222 VanDerWaalsContact C-N 3.27Å; P220-K222 PolarHBondContact O-N 3.34Å; P220-R224 PolarHBondContact O-NH1 2.94Å
221R96.2Very high94.1Very high192 Ų19253.4 Ų53.473%0.72529%0.287SS*.THydrogen-bonded Turntrans-69-29175.6-57.1170.3-62.7-178.64.4111.7D219 R224D219-R221 PolarHBondContact O-N 2.67Å; D219-R221 VanDerWaalsContact OD1-CB 3.24Å; D219-R221 WeakPolarHBondContact OD1-CB 3.49Å; D219-R221 WeakPolarHBondContact OD1-CG 3.31Å; D219-R221 IonicContact OD1-CZ 3.76Å; D219-R221 PolarHBondContact OD1-N 2.94Å; D219-R221 IonicContact OD1-NE 3.93Å; D219-R221 PolarHBondContact OD1-NE 3.45Å; D219-R221 IonicContact OD1-NH2 2.91Å; D219-R221 IonicContact OD2-CZ 3.88Å; D219-R221 IonicContact OD2-NE 3.87Å; D219-R221 PolarHBondContact OD2-NE 2.96Å; D219-R221 IonicContact OD2-NH2 3.01Å; D219-R221 PolarHBondContact OD2-NH2 3.44Å; R221-R224 VanDerWaalsContact C-NH1 3.32Å; R221-R224 PolarHBondContact O-NH1 3.48Å; R221-R224 PolarHBondContact O-NH2 3.34Å
222K95.2Very high94Very high128 Ų12853.6 Ų53.656%0.55729%0.287SS*.THydrogen-bonded Turntrans-110.5-34.6-177.8-62.6178.5-175.9172.70113.2N196 D219 P220N196-K222 PolarHBondContact ND2-O 3.41Å; D219-K222 PolarHBondContact O-N 3.42Å; P220-K222 VanDerWaalsContact C-N 3.27Å; P220-K222 PolarHBondContact O-N 3.34Å
223A97.2Very high94.3Very high0 Ų050.2 Ų50.20%027%0.266CS..  trans-71.7134.9176.900000110.9Y189 N196 V197 D219Y189-A223 HydrophobicContact CD1-CB 3.67Å; Y189-A223 HydrophobicContact CE1-CB 3.56Å; N196-A223 WeakPolarHBondContact OD1-CA 3.47Å; V197-A223 HydrophobicContact CB-CB 4.49Å; V197-A223 HydrophobicContact CG2-CB 3.73Å; D219-A223 WeakPolarHBondContact O-CB 3.48Å; D219-A223 PolarHBondContact O-N 2.97Å
224R97.8Very high94.7Very high70 Ų7043 Ų4326%0.26423%0.232SC..  trans-132.3129.3176-64.5-67179.2-78.6-0.8109.6D190 P195 N196 V197 P220 R221D190-R224 WeakPolarHBondContact O-CA 3.29Å; D190-R224 VanDerWaalsContact O-CD 3.29Å; D190-R224 WeakPolarHBondContact O-CD 3.47Å; P195-R224 WeakPolarHBondContact CA-O 3.33Å; P195-R224 VanDerWaalsContact CB-O 3.26Å; P195-R224 WeakPolarHBondContact CB-O 3.35Å; N196-R224 PolarHBondContact N-O 2.89Å; N196-R224 PolarHBondContact OD1-N 3.18Å; N196-R224 PolarHBondContact OD1-O 3.31Å; V197-R224 PolarHBondContact N-O 3.1Å; P220-R224 PolarHBondContact O-NH1 2.94Å; R221-R224 VanDerWaalsContact C-NH1 3.32Å; R221-R224 PolarHBondContact O-NH1 3.48Å; R221-R224 PolarHBondContact O-NH2 3.34Å
225I97.2Very high95Very high7 Ų742.2 Ų42.24%0.03620%0.204CC..BIsolated β-bridgetrans-108.5165.4-179.763.5172.2000111.2I186 Y189 D190 H191 S192 V197 L208 Y227I186-I225 HydrophobicContact CG2-CD1 4.13Å; Y189-I225 HydrophobicContact CD1-CG2 4.46Å; D190-I225 PolarHBondContact O-N 3.16Å; D190-I225 VanDerWaalsContact O-N 3.11Å; H191-I225 CarbonylContact C-O 3.6Å; H191-I225 VanDerWaalsContact CA-O 3.26Å; H191-I225 WeakPolarHBondContact CA-O 3.48Å; H191-I225 PolarHBondContact ND1-O 3.3Å; H191-I225 VanDerWaalsContact ND1-O 3.13Å; S192-I225 PolarHBondContact N-O 2.95Å; V197-I225 HydrophobicContact CB-CG2 4.25Å; V197-I225 HydrophobicContact CG1-CG2 4.02Å; L208-I225 HydrophobicContact CD1-CG2 4.48Å; L208-I225 HydrophobicContact CD2-CG2 4.22Å; I225-Y227 HydrophobicContact CD1-CD1 4.15Å; I225-Y227 HydrophobicContact CD1-CE1 3.92Å; I225-Y227 HydrophobicContact CG1-CD1 3.89Å; I225-Y227 HydrophobicContact CG1-CE1 3.65Å
226A96.2Very high95.1Very high38 Ų3841.5 Ų41.531%0.31420%0.199SC..  trans-93.7122.4171.200000110P195 V230P195-A226 HydrophobicContact CB-CB 4.42Å; P195-A226 HydrophobicContact CG-CB 4.09Å; A226-V230 HydrophobicContact CB-CG1 3.78Å
227Y95.9Very high95.2Very high69 Ų6938.7 Ų38.727%0.27118%0.184SC..SBendtrans-84.8-23.9173.7-64.21.1000111.8Y189 D190 H191 I225 L241 W245 F247Y189-Y227 VanDerWaalsContact O-CE1 3.29Å; Y189-Y227 WeakPolarHBondContact O-CE1 3.43Å; Y189-Y227 PolarHBondContact O-OH 3.45Å; D190-Y227 VanDerWaalsContact CA-OH 3.32Å; D190-Y227 WeakPolarHBondContact CA-OH 3.27Å; H191-Y227 HydrophobicContact CB-CD1 3.86Å; H191-Y227 HydrophobicContact CB-CD2 3.68Å; H191-Y227 HydrophobicContact CB-CE1 3.79Å; H191-Y227 HydrophobicContact CB-CE2 3.64Å; H191-Y227 HydrophobicContact CB-CG 3.77Å; H191-Y227 AromaticContact CG-CG 4Å; H191-Y227 VanDerWaalsContact N-CZ 3.33Å; H191-Y227 PolarHBondContact N-OH 3.19Å; H191-Y227 AromaticContact ND1-CG 3.91Å; H191-Y227 PolarHBondContact ND1-N 2.91Å; I225-Y227 HydrophobicContact CD1-CD1 4.15Å; I225-Y227 HydrophobicContact CD1-CE1 3.92Å; I225-Y227 HydrophobicContact CG1-CD1 3.89Å; I225-Y227 HydrophobicContact CG1-CE1 3.65Å; Y227-L241 HydrophobicContact CD2-CD2 4.39Å; Y227-W245 AromaticContact CD2-CD2 3.87Å; Y227-W245 HydrophobicContact CD2-CD2 3.87Å; Y227-W245 AromaticContact CD2-CE2 3.64Å; Y227-W245 HydrophobicContact CD2-CE3 4.43Å; Y227-W245 HydrophobicContact CD2-CG 4.17Å; Y227-W245 AromaticContact CD2-CZ2 3.99Å; Y227-W245 HydrophobicContact CD2-CZ2 3.99Å; Y227-W245 AromaticContact CD2-NE1 3.83Å; Y227-W245 HydrophobicContact CE2-CG 4.47Å; Y227-W245 HydrophobicContact CG-CZ2 4.17Å; Y227-F247 HydrophobicContact CD2-CE1 4.42Å; Y227-F247 HydrophobicContact CE2-CE1 4.27Å; Y227-F247 HydrophobicContact CE2-CZ 4.49Å
228I94.2Very high95.3Very high12 Ų1241.4 Ų41.46%0.06220%0.195CC..SBendtrans-128.6166.7-173.957.5160.2000109.4V230 R237 E240 L241 W245I228-V230 PolarHBondContact O-N 3.45Å; I228-V230 VanDerWaalsContact O-N 3.08Å; I228-R237 VanDerWaalsContact CD1-CA 3.49Å; I228-R237 HydrophobicContact CD1-CB 3.62Å; I228-R237 HydrophobicContact CD1-CG 3.79Å; I228-R237 WeakPolarHBondContact CD1-O 3.21Å; I228-E240 HydrophobicContact CB-CG 4.5Å; I228-E240 HydrophobicContact CG2-CB 4.34Å; I228-E240 VanDerWaalsContact CG2-CD 3.46Å; I228-E240 HydrophobicContact CG2-CG 3.67Å; I228-L241 HydrophobicContact CD1-CD1 4.16Å; I228-L241 HydrophobicContact CD1-CD2 4.27Å; I228-L241 HydrophobicContact CD1-CG 3.89Å; I228-L241 HydrophobicContact CG1-CD2 4.22Å; I228-L241 HydrophobicContact CG1-CG 4.39Å; I228-L241 HydrophobicContact CG2-CD2 4.01Å; I228-L241 HydrophobicContact CG2-CG 4.49Å; I228-W245 HydrophobicContact CG2-CE3 4.49Å; I228-W245 HydrophobicContact CG2-CH2 3.9Å; I228-W245 HydrophobicContact CG2-CZ3 3.46Å; I228-W245 VanDerWaalsContact CG2-CZ3 3.46Å
229D91.2Very high95.3Very high61 Ų6143.6 Ų43.633%0.32620%0.196SC..  trans-64.7108.2168.9169.517.5000110.4G231 R232 R348D229-G231 PolarHBondContact O-N 3.22Å; D229-G231 WeakPolarHBondContact OD1-CA 3.3Å; D229-G231 PolarHBondContact OD1-N 2.92Å; D229-R232 HydrophobicContact CB-CG 4.47Å; D229-R232 WeakPolarHBondContact O-CG 3.36Å; D229-R232 IonicContact OD2-CZ 3.36Å; D229-R232 IonicContact OD2-NE 2.87Å; D229-R232 PolarHBondContact OD2-NE 2.81Å; D229-R232 IonicContact OD2-NH2 2.95Å; D229-R348 IonicContact OD2-CZ 3.78Å; D229-R348 IonicContact OD2-NE 2.78Å; D229-R348 IonicContact OD2-NH2 2.83Å; D229-R348 PolarHBondContact OD2-NH2 2.96Å
230V93.1Very high95.3Very high7 Ų745.3 Ų45.34%0.04220%0.203CC..SBendtrans-75.3-10.6179.6-65.90000112.6C193 A226 I228 R232 R253 L381C193-V230 HydrophobicContact CB-CG1 4.46Å; A226-V230 HydrophobicContact CB-CG1 3.78Å; I228-V230 PolarHBondContact O-N 3.45Å; I228-V230 VanDerWaalsContact O-N 3.08Å; V230-R232 PolarHBondContact O-N 3.44Å; V230-R253 PolarHBondContact O-NH1 2.9Å; V230-R253 PolarHBondContact O-NH2 3.3Å; V230-R253 VanDerWaalsContact O-NH2 3.15Å; V230-L381 HydrophobicContact CG2-CD2 3.61Å
231G91.1Very high95.3Very high7 Ų743.7 Ų43.77%0.07219%0.193CC..SBendtrans-72.529.8173.500000113.9D229 I344 R348D229-G231 PolarHBondContact O-N 3.22Å; D229-G231 WeakPolarHBondContact OD1-CA 3.3Å; D229-G231 PolarHBondContact OD1-N 2.92Å; G231-I344 WeakPolarHBondContact O-CD1 3.14Å; G231-I344 WeakPolarHBondContact O-CG1 3.44Å; G231-R348 WeakPolarHBondContact O-CD 3.26Å
232R92.2Very high95.4Very high19 Ų1937.4 Ų37.47%0.07217%0.171CC..SBendtrans-124164.2-176.7-62179.3-174.8-170.90.6111.4D229 V230 Q236 R237 E240 R253 S314D229-R232 HydrophobicContact CB-CG 4.47Å; D229-R232 WeakPolarHBondContact O-CG 3.36Å; D229-R232 IonicContact OD2-CZ 3.36Å; D229-R232 IonicContact OD2-NE 2.87Å; D229-R232 PolarHBondContact OD2-NE 2.81Å; D229-R232 IonicContact OD2-NH2 2.95Å; V230-R232 PolarHBondContact O-N 3.44Å; R232-Q236 HydrophobicContact CB-CB 4.1Å; R232-R237 HydrophobicContact CB-CG 3.86Å; R232-R237 WeakPolarHBondContact O-CD 3.49Å; R232-R237 PolarHBondContact O-NE 3.37Å; R232-E240 IonicContact CZ-OE2 2.9Å; R232-E240 IonicContact NH1-OE1 3.99Å; R232-E240 IonicContact NH1-OE2 3.28Å; R232-E240 PolarHBondContact NH1-OE2 3.03Å; R232-R253 PolarHBondContact O-NH2 3.44Å; R232-S314 PolarHBondContact NH2-O 3.19Å
233S94.3Very high95.4Very high2 Ų236.5 Ų36.51%0.01417%0.169CC..  trans-65.2161.4176.5740000112.1Y235 Q236 R237 E280 Y345S233-Y235 VanDerWaalsContact C-N 3.25Å; S233-Y235 PolarHBondContact O-N 3.16Å; S233-Q236 PolarHBondContact O-N 2.91Å; S233-Q236 WeakPolarHBondContact OG-CG 3.47Å; S233-Q236 PolarHBondContact OG-N 3.14Å; S233-R237 WeakPolarHBondContact O-CB 3.2Å; S233-R237 VanDerWaalsContact O-CG 3.28Å; S233-R237 WeakPolarHBondContact O-CG 3.02Å; S233-R237 PolarHBondContact O-N 3.23Å; S233-R237 PolarHBondContact O-NE 2.78Å; S233-E280 WeakPolarHBondContact CB-OE1 3.2Å; S233-E280 PolarHBondContact OG-OE1 3.31Å; S233-Y345 PolarHBondContact OG-OH 3.5Å
234K95.6Very high95.3Very high33 Ų3340.6 Ų40.614%0.14319%0.187CC..Hα-helixtrans-53.6-42.4175-170179.2-67167.90112.6R238 C254 S256 D259 D260K234-R238 WeakPolarHBondContact O-CB 3.5Å; K234-R238 PolarHBondContact O-N 2.81Å; K234-R238 VanDerWaalsContact O-N 3.1Å; K234-C254 VanDerWaalsContact CE-O 3.24Å; K234-C254 WeakPolarHBondContact CE-O 3.42Å; K234-S256 PolarHBondContact NZ-O 3.11Å; K234-D259 WeakPolarHBondContact CB-OD2 3.42Å; K234-D260 IonicContact NZ-OD1 2.61Å; K234-D260 PolarHBondContact NZ-OD1 2.85Å
235Y95.7Very high95.3Very high68 Ų6838.5 Ų38.527%0.26718%0.179SC..Hα-helixtrans-61.4-53.5178171.5-105.1000111.6S233 R237 R238 K239 E280 T281 K310S233-Y235 VanDerWaalsContact C-N 3.25Å; S233-Y235 PolarHBondContact O-N 3.16Å; Y235-R237 PolarHBondContact O-N 3.15Å; Y235-R238 PolarHBondContact O-N 3.26Å; Y235-K239 HydrophobicContact CE1-CD 4.39Å; Y235-K239 VanDerWaalsContact O-CB 3.31Å; Y235-K239 WeakPolarHBondContact O-CB 3.4Å; Y235-K239 PolarHBondContact O-N 2.98Å; Y235-E280 WeakPolarHBondContact CB-OE2 3.37Å; Y235-E280 HydrophobicContact CD1-CB 4.23Å; Y235-E280 HydrophobicContact CD1-CG 4.3Å; Y235-E280 HydrophobicContact CG-CB 4.17Å; Y235-E280 HydrophobicContact CG-CG 4.5Å; Y235-T281 HydrophobicContact CD2-CG2 3.5Å; Y235-T281 HydrophobicContact CE2-CG2 3.83Å; Y235-T281 HydrophobicContact CG-CG2 4.34Å; Y235-K310 HydrophobicContact CE1-CG 4.1Å
236Q95.6Very high95.3Very high17 Ų1740 Ų408%0.07918%0.184CC..Hα-helixtrans-63.4-43.5-178.1-66.5-67.9-22.500111.9R232 S233 R238 K239 E240 Y345R232-Q236 HydrophobicContact CB-CB 4.1Å; S233-Q236 PolarHBondContact O-N 2.91Å; S233-Q236 WeakPolarHBondContact OG-CG 3.47Å; S233-Q236 PolarHBondContact OG-N 3.14Å; Q236-R238 PolarHBondContact O-N 2.72Å; Q236-K239 PolarHBondContact O-N 3.05Å; Q236-E240 WeakPolarHBondContact O-CB 3.29Å; Q236-E240 PolarHBondContact O-N 3.32Å; Q236-Y345 HydrophobicContact CG-CE1 4.13Å; Q236-Y345 WeakPolarHBondContact CG-OH 3.25Å; Q236-Y345 PolarHBondContact NE2-OH 3.12Å
237R96.3Very high95.3Very high0 Ų041.2 Ų41.20%018%0.183CC..Hα-helixtrans-58.8-47.5177.9-70.6-178.6-70.3118.5-8.4111.6C193 I228 R232 S233 Y235 L241 C254 D259C193-R237 PolarHBondContact SG-NH1 3.42Å; I228-R237 VanDerWaalsContact CD1-CA 3.49Å; I228-R237 HydrophobicContact CD1-CB 3.62Å; I228-R237 HydrophobicContact CD1-CG 3.79Å; I228-R237 WeakPolarHBondContact CD1-O 3.21Å; R232-R237 HydrophobicContact CB-CG 3.86Å; R232-R237 WeakPolarHBondContact O-CD 3.49Å; R232-R237 PolarHBondContact O-NE 3.37Å; S233-R237 WeakPolarHBondContact O-CB 3.2Å; S233-R237 VanDerWaalsContact O-CG 3.28Å; S233-R237 WeakPolarHBondContact O-CG 3.02Å; S233-R237 PolarHBondContact O-N 3.23Å; S233-R237 PolarHBondContact O-NE 2.78Å; Y235-R237 PolarHBondContact O-N 3.15Å; R237-L241 WeakPolarHBondContact O-CB 3.3Å; R237-L241 WeakPolarHBondContact O-CD1 3.43Å; R237-L241 WeakPolarHBondContact O-CG 3.38Å; R237-L241 PolarHBondContact O-N 3.28Å; R237-L241 VanDerWaalsContact O-N 3.11Å; R237-C254 PolarHBondContact NH1-SG 3.14Å; R237-D259 IonicContact CZ-OD2 2.98Å; R237-D259 IonicContact NH2-OD1 3.87Å; R237-D259 PolarHBondContact NH2-OD1 2.82Å; R237-D259 IonicContact NH2-OD2 3.93Å; R237-D259 PolarHBondContact NH2-OD2 3.07Å
238R97.2Very high95.3Very high57 Ų5744.9 Ų44.922%0.21520%0.196CC..Hα-helixtrans-70.2-37.3179.7-80.1174.5159.8177.53.1113K234 Y235 Q236 L241 Q242 W248 C249K234-R238 WeakPolarHBondContact O-CB 3.5Å; K234-R238 PolarHBondContact O-N 2.81Å; K234-R238 VanDerWaalsContact O-N 3.1Å; Y235-R238 PolarHBondContact O-N 3.26Å; Q236-R238 PolarHBondContact O-N 2.72Å; R238-L241 PolarHBondContact O-N 2.94Å; R238-Q242 VanDerWaalsContact O-CB 3.3Å; R238-Q242 WeakPolarHBondContact O-CB 3.32Å; R238-Q242 PolarHBondContact O-N 2.98Å; R238-W248 HydrophobicContact CB-CE3 3.62Å; R238-W248 HydrophobicContact CB-CZ3 3.54Å; R238-W248 HydrophobicContact CG-CE3 3.86Å; R238-W248 HydrophobicContact CG-CZ3 4.21Å; R238-C249 PolarHBondContact NE-O 3.1Å; R238-C249 VanDerWaalsContact NE-O 3.14Å; R238-C249 PolarHBondContact NH2-O 3.27Å
239K96.3Very high95.5Very high77 Ų7744.6 Ų44.634%0.33520%0.195SC..Hα-helixtrans-57.5-52.7174.4179.3-178.8173.5-176.60110.7Y235 Q236 L241 Q242 E243Y235-K239 HydrophobicContact CE1-CD 4.39Å; Y235-K239 VanDerWaalsContact O-CB 3.31Å; Y235-K239 WeakPolarHBondContact O-CB 3.4Å; Y235-K239 PolarHBondContact O-N 2.98Å; Q236-K239 PolarHBondContact O-N 3.05Å; K239-L241 PolarHBondContact O-N 3.46Å; K239-Q242 PolarHBondContact O-N 3.2Å; K239-E243 WeakPolarHBondContact CE-OE1 3.22Å; K239-E243 HydrophobicContact CG-CG 4.45Å; K239-E243 WeakPolarHBondContact CG-OE1 3.48Å; K239-E243 IonicContact NZ-OE1 2.66Å; K239-E243 WeakPolarHBondContact O-CB 3.25Å; K239-E243 VanDerWaalsContact O-CG 3.31Å; K239-E243 WeakPolarHBondContact O-CG 3.34Å; K239-E243 PolarHBondContact O-N 3.01Å
240E95.9Very high95.8Very high54 Ų5449.4 Ų49.425%0.25221%0.213SC..Hα-helixtrans-63.1-41.3-179.4-171.3174.1-177.700112.5I228 R232 Q236 E243 K244I228-E240 HydrophobicContact CB-CG 4.5Å; I228-E240 HydrophobicContact CG2-CB 4.34Å; I228-E240 VanDerWaalsContact CG2-CD 3.46Å; I228-E240 HydrophobicContact CG2-CG 3.67Å; R232-E240 IonicContact CZ-OE2 2.9Å; R232-E240 IonicContact NH1-OE1 3.99Å; R232-E240 IonicContact NH1-OE2 3.28Å; R232-E240 PolarHBondContact NH1-OE2 3.03Å; Q236-E240 WeakPolarHBondContact O-CB 3.29Å; Q236-E240 PolarHBondContact O-N 3.32Å; E240-E243 PolarHBondContact O-N 3.01Å; E240-K244 PolarHBondContact O-N 3.44Å; E240-K244 VanDerWaalsContact O-N 3.12Å
241L98.1Very high95.9Very high0 Ų050.1 Ų50.10%022%0.218CC..Hα-helixtrans-64-39.5175.4-69.6170.1000112.6H191 Y227 I228 R237 R238 K239 W245 Y246 F247 C249H191-L241 VanDerWaalsContact CD2-CD1 3.42Å; H191-L241 WeakPolarHBondContact CD2-CD1 3.29Å; Y227-L241 HydrophobicContact CD2-CD2 4.39Å; I228-L241 HydrophobicContact CD1-CD1 4.16Å; I228-L241 HydrophobicContact CD1-CD2 4.27Å; I228-L241 HydrophobicContact CD1-CG 3.89Å; I228-L241 HydrophobicContact CG1-CD2 4.22Å; I228-L241 HydrophobicContact CG1-CG 4.39Å; I228-L241 HydrophobicContact CG2-CD2 4.01Å; I228-L241 HydrophobicContact CG2-CG 4.49Å; R237-L241 WeakPolarHBondContact O-CB 3.3Å; R237-L241 WeakPolarHBondContact O-CD1 3.43Å; R237-L241 WeakPolarHBondContact O-CG 3.38Å; R237-L241 PolarHBondContact O-N 3.28Å; R237-L241 VanDerWaalsContact O-N 3.11Å; R238-L241 PolarHBondContact O-N 2.94Å; K239-L241 PolarHBondContact O-N 3.46Å; L241-W245 HydrophobicContact CD2-CE3 3.85Å; L241-W245 HydrophobicContact CD2-CZ3 4.14Å; L241-W245 CarbonylContact O-C 3.52Å; L241-W245 WeakPolarHBondContact O-CA 3.39Å; L241-W245 WeakPolarHBondContact O-CB 3.5Å; L241-W245 PolarHBondContact O-N 3.01Å; L241-Y246 PolarHBondContact O-N 2.88Å; L241-Y246 VanDerWaalsContact O-N 3.09Å; L241-F247 CarbonylContact C-O 3.36Å; L241-F247 HydrophobicContact CB-CE1 4.4Å; L241-F247 HydrophobicContact CB-CZ 4.27Å; L241-F247 HydrophobicContact CD1-CE2 4.13Å; L241-F247 HydrophobicContact CD1-CZ 4.06Å; L241-F247 HydrophobicContact CD2-CE1 3.98Å; L241-F247 HydrophobicContact CD2-CZ 3.65Å; L241-F247 HydrophobicContact CG-CZ 4.2Å; L241-C249 HydrophobicContact CD1-CB 3.61Å
242Q97.2Very high96.1Very high59 Ų5956.4 Ų56.428%0.27625%0.246SC..Hα-helixtrans-69.9-40.6177.6-174.361.230.200111.9R238 K239 Y246 W248R238-Q242 VanDerWaalsContact O-CB 3.3Å; R238-Q242 WeakPolarHBondContact O-CB 3.32Å; R238-Q242 PolarHBondContact O-N 2.98Å; K239-Q242 PolarHBondContact O-N 3.2Å; Q242-Y246 VanDerWaalsContact O-CA 3.3Å; Q242-Y246 WeakPolarHBondContact O-CA 3.38Å; Q242-Y246 PolarHBondContact O-N 3.03Å; Q242-Y246 VanDerWaalsContact O-N 3.15Å; Q242-W248 HydrophobicContact CB-CZ2 4.43Å; Q242-W248 HydrophobicContact CG-CZ2 4.11Å
243E95.2Very high96.2Very high110 Ų11055.9 Ų55.951%0.51424%0.244SC..Hα-helixtrans-68.1-38.1-178.1-75.3170.4170.400112.8K131 K239 E240K131-E243 PolarHBondContact NZ-O 2.81Å; K239-E243 WeakPolarHBondContact CE-OE1 3.22Å; K239-E243 HydrophobicContact CG-CG 4.45Å; K239-E243 WeakPolarHBondContact CG-OE1 3.48Å; K239-E243 IonicContact NZ-OE1 2.66Å; K239-E243 WeakPolarHBondContact O-CB 3.25Å; K239-E243 VanDerWaalsContact O-CG 3.31Å; K239-E243 WeakPolarHBondContact O-CG 3.34Å; K239-E243 PolarHBondContact O-N 3.01Å; E240-E243 PolarHBondContact O-N 3.01Å
244K95Very high96.3Very high86 Ų8655.9 Ų55.937%0.37424%0.244SC..Hα-helixtrans-98.8-41.1-176.9179.4167.8171.5-1760114.2I165 E240I165-K244 WeakPolarHBondContact CD1-O 3.3Å; E240-K244 PolarHBondContact O-N 3.44Å; E240-K244 VanDerWaalsContact O-N 3.12Å
245W97.4Very high96.3Very high25 Ų2560 Ų6010%0.09527%0.267CS..Hα-helixtrans-1164.4-174.5-66.1-86.8000114.1H121 I165 Y227 I228 L241 F247H121-W245 PolarHBondContact NE2-O 3.49Å; I165-W245 PolarHBondContact O-NE1 2.7Å; Y227-W245 AromaticContact CD2-CD2 3.87Å; Y227-W245 HydrophobicContact CD2-CD2 3.87Å; Y227-W245 AromaticContact CD2-CE2 3.64Å; Y227-W245 HydrophobicContact CD2-CE3 4.43Å; Y227-W245 HydrophobicContact CD2-CG 4.17Å; Y227-W245 AromaticContact CD2-CZ2 3.99Å; Y227-W245 HydrophobicContact CD2-CZ2 3.99Å; Y227-W245 AromaticContact CD2-NE1 3.83Å; Y227-W245 HydrophobicContact CE2-CG 4.47Å; Y227-W245 HydrophobicContact CG-CZ2 4.17Å; I228-W245 HydrophobicContact CG2-CE3 4.49Å; I228-W245 HydrophobicContact CG2-CH2 3.9Å; I228-W245 HydrophobicContact CG2-CZ3 3.46Å; I228-W245 VanDerWaalsContact CG2-CZ3 3.46Å; L241-W245 HydrophobicContact CD2-CE3 3.85Å; L241-W245 HydrophobicContact CD2-CZ3 4.14Å; L241-W245 CarbonylContact O-C 3.52Å; L241-W245 WeakPolarHBondContact O-CA 3.39Å; L241-W245 WeakPolarHBondContact O-CB 3.5Å; L241-W245 PolarHBondContact O-N 3.01Å; W245-F247 HydrophobicContact CB-CD1 3.53Å; W245-F247 HydrophobicContact CB-CE1 3.51Å; W245-F247 HydrophobicContact CG-CE1 4.18Å; W245-F247 PolarHBondContact O-N 3.25Å; W245-F247 VanDerWaalsContact O-N 3.12Å
246Y97Very high96.3Very high38 Ų3858.5 Ų58.515%0.14927%0.266CS..  trans58.527.9172.5-57-81.1000115.6H121 E124 I125 K131 I165 L241 Q242H121-Y246 HydrophobicContact CB-CD2 3.52Å; H121-Y246 HydrophobicContact CB-CE2 3.73Å; H121-Y246 HydrophobicContact CB-CG 4.37Å; H121-Y246 AromaticContact CD2-CD2 3.84Å; H121-Y246 AromaticContact CG-CD2 3.54Å; E124-Y246 HydrophobicContact CB-CD1 3.61Å; E124-Y246 HydrophobicContact CB-CD2 4.4Å; E124-Y246 HydrophobicContact CB-CE1 3.34Å; E124-Y246 HydrophobicContact CB-CE2 4.18Å; E124-Y246 HydrophobicContact CB-CG 4.11Å; E124-Y246 HydrophobicContact CG-CD1 3.99Å; E124-Y246 HydrophobicContact CG-CE1 4.23Å; E124-Y246 HydrophobicContact CG-CG 4.3Å; I125-Y246 HydrophobicContact CG1-CE2 4.06Å; I125-Y246 VanDerWaalsContact CG1-OH 3.29Å; I125-Y246 WeakPolarHBondContact CG1-OH 3.47Å; I125-Y246 PolarHBondContact N-OH 3.19Å; K131-Y246 WeakPolarHBondContact CD-OH 3.47Å; K131-Y246 VanDerWaalsContact NZ-CZ 3.29Å; K131-Y246 PolarHBondContact NZ-OH 2.91Å; I165-Y246 HydrophobicContact CD1-CD2 4.14Å; I165-Y246 HydrophobicContact CD1-CE2 4.02Å; L241-Y246 PolarHBondContact O-N 2.88Å; L241-Y246 VanDerWaalsContact O-N 3.09Å; Q242-Y246 VanDerWaalsContact O-CA 3.3Å; Q242-Y246 WeakPolarHBondContact O-CA 3.38Å; Q242-Y246 PolarHBondContact O-N 3.03Å; Q242-Y246 VanDerWaalsContact O-N 3.15Å
247F97.1Very high96.1Very high64 Ų6461.7 Ų61.728%0.28129%0.29SS..  trans-136.1157.2175.880.9-88000114.3H191 Y227 L241 W245 C249H191-F247 HydrophobicContact CB-CZ 3.8Å; Y227-F247 HydrophobicContact CD2-CE1 4.42Å; Y227-F247 HydrophobicContact CE2-CE1 4.27Å; Y227-F247 HydrophobicContact CE2-CZ 4.49Å; L241-F247 CarbonylContact C-O 3.36Å; L241-F247 HydrophobicContact CB-CE1 4.4Å; L241-F247 HydrophobicContact CB-CZ 4.27Å; L241-F247 HydrophobicContact CD1-CE2 4.13Å; L241-F247 HydrophobicContact CD1-CZ 4.06Å; L241-F247 HydrophobicContact CD2-CE1 3.98Å; L241-F247 HydrophobicContact CD2-CZ 3.65Å; L241-F247 HydrophobicContact CG-CZ 4.2Å; W245-F247 HydrophobicContact CB-CD1 3.53Å; W245-F247 HydrophobicContact CB-CE1 3.51Å; W245-F247 HydrophobicContact CG-CE1 4.18Å; W245-F247 PolarHBondContact O-N 3.25Å; W245-F247 VanDerWaalsContact O-N 3.12Å; F247-C249 HydrophobicContact CE2-CB 4.07Å
248W95.8Very high95.9Very high146 Ų14667.7 Ų67.755%0.55332%0.323SS*.  trans-100.9115.6174.1-6789.1000111.2R238 Q242 K250R238-W248 HydrophobicContact CB-CE3 3.62Å; R238-W248 HydrophobicContact CB-CZ3 3.54Å; R238-W248 HydrophobicContact CG-CE3 3.86Å; R238-W248 HydrophobicContact CG-CZ3 4.21Å; Q242-W248 HydrophobicContact CB-CZ2 4.43Å; Q242-W248 HydrophobicContact CG-CZ2 4.11Å; W248-K250 PolarHBondContact O-N 3.4Å
249C98Very high95.7Very high6 Ų665.5 Ų65.54%0.04132%0.315CS..  trans-65.4131176.9-175.30000112.4R238 L241 F247 C254R238-C249 PolarHBondContact NE-O 3.1Å; R238-C249 VanDerWaalsContact NE-O 3.14Å; R238-C249 PolarHBondContact NH2-O 3.27Å; L241-C249 HydrophobicContact CD1-CB 3.61Å; F247-C249 HydrophobicContact CE2-CB 4.07Å; C249-C254 WeakPolarHBondContact O-CB 3.22Å
250K97.1Very high95.6Very high162 Ų16263.8 Ų63.870%0.70431%0.31SS*.  trans-119.725.8178-57.5-179.1-175.3175.90113W248 L255W248-K250 PolarHBondContact O-N 3.4Å; K250-L255 VanDerWaalsContact O-CD1 3.22Å; K250-L255 WeakPolarHBondContact O-CD1 3.35Å
251C96.6Very high95.5Very high22 Ų2265.3 Ų65.315%0.14931%0.313CS..SBendtrans-65.8166175.5740000112.2S192 C193 R253 C254 L255S192-C251 WeakPolarHBondContact OG-CB 3.21Å; C193-C251 PolarHBondContact N-SG 3.19Å; C251-R253 PolarHBondContact O-N 3.1Å; C251-R253 VanDerWaalsContact O-N 3.09Å; C251-C254 WeakPolarHBondContact O-CB 3.35Å; C251-C254 PolarHBondContact O-N 3.09Å; C251-L255 PolarHBondContact O-N 3.47Å
252E94.4Very high95.2Very high140 Ų14065.6 Ų65.665%0.65432%0.315SS*.Hα-helixtrans-47.2-42.3-179.556.3169-142.500113.8R194 L255 S256R194-E252 HydrophobicContact CB-CG 4.26Å; R194-E252 WeakPolarHBondContact CG-OE1 3.46Å; E252-L255 PolarHBondContact O-N 3.4Å; E252-S256 WeakPolarHBondContact O-CB 3.26Å; E252-S256 PolarHBondContact O-N 2.81Å
253R94.8Very high95.2Very high7 Ų763 Ų633%0.02630%0.303CS..Hα-helixtrans-70.7-37.2180-178.6-178.4170.8-151.9-7.4112.3C193 R194 V230 R232 C251 L255 D259 C380C193-R253 WeakPolarHBondContact O-CD 3.49Å; C193-R253 PolarHBondContact O-NH1 3.34Å; C193-R253 VanDerWaalsContact O-NH1 3.14Å; R194-R253 HydrophobicContact CB-CB 4.14Å; V230-R253 PolarHBondContact O-NH1 2.9Å; V230-R253 PolarHBondContact O-NH2 3.3Å; V230-R253 VanDerWaalsContact O-NH2 3.15Å; R232-R253 PolarHBondContact O-NH2 3.44Å; C251-R253 PolarHBondContact O-N 3.1Å; C251-R253 VanDerWaalsContact O-N 3.09Å; R253-L255 VanDerWaalsContact C-N 3.25Å; R253-L255 PolarHBondContact O-N 3.33Å; R253-D259 HydrophobicContact CG-CB 4.49Å; R253-D259 WeakPolarHBondContact CG-OD1 2.95Å; R253-D259 IonicContact CZ-OD1 3.17Å; R253-D259 IonicContact NE-OD1 3.17Å; R253-D259 PolarHBondContact NE-OD1 2.88Å; R253-D259 IonicContact NH2-OD1 2.97Å; R253-D259 PolarHBondContact NH2-OD1 3.47Å; R253-C380 PolarHBondContact NH1-O 3.05Å
254C96Very high95.3Very high3 Ų357.8 Ų57.82%0.0228%0.278CS..Hα-helixtrans-70.7-25.5176.5-70.90000112.3C193 K234 R237 C249 C251C193-C254 VanDerWaalsContact SG-SG 3.66Å; K234-C254 VanDerWaalsContact CE-O 3.24Å; K234-C254 WeakPolarHBondContact CE-O 3.42Å; R237-C254 PolarHBondContact NH1-SG 3.14Å; C249-C254 WeakPolarHBondContact O-CB 3.22Å; C251-C254 WeakPolarHBondContact O-CB 3.35Å; C251-C254 PolarHBondContact O-N 3.09Å
255L95.9Very high95.4Very high120 Ų12053.7 Ų53.763%0.62826%0.26SS*.Hα-helixtrans-89.2-24.6178.3-64.4179000113.2K250 C251 E252 R253K250-L255 VanDerWaalsContact O-CD1 3.22Å; K250-L255 WeakPolarHBondContact O-CD1 3.35Å; C251-L255 PolarHBondContact O-N 3.47Å; E252-L255 PolarHBondContact O-N 3.4Å; R253-L255 VanDerWaalsContact C-N 3.25Å; R253-L255 PolarHBondContact O-N 3.33Å
256S94.5Very high95.4Very high35 Ų3556.3 Ų56.325%0.24527%0.27CS..  trans-71138.3177.8178.50000112.6K234 E252 D258K234-S256 PolarHBondContact NZ-O 3.11Å; E252-S256 WeakPolarHBondContact O-CB 3.26Å; E252-S256 PolarHBondContact O-N 2.81Å; S256-D258 VanDerWaalsContact C-N 3.26Å; S256-D258 WeakPolarHBondContact OG-CB 3.43Å; S256-D258 PolarHBondContact OG-N 3.3Å; S256-D258 PolarHBondContact OG-OD2 3.33Å
257S92.6Very high95.4Very high84 Ų8454.5 Ų54.559%0.58726%0.264SS*.G310 helixtrans-70.8-20.9168.651.70000112.7D259 D260S257-D259 PolarHBondContact O-N 2.81Å; S257-D260 VanDerWaalsContact O-CB 3.3Å; S257-D260 WeakPolarHBondContact O-CB 3.27Å; S257-D260 PolarHBondContact O-N 3.38Å
258D92Very high95.4Very high127 Ų12753 Ų5368%0.67926%0.263SS*.G310 helixtrans-62.5-27.8179.8-60.6-29.3000111.8S256 D260 R261S256-D258 VanDerWaalsContact C-N 3.26Å; S256-D258 WeakPolarHBondContact OG-CB 3.43Å; S256-D258 PolarHBondContact OG-N 3.3Å; S256-D258 PolarHBondContact OG-OD2 3.33Å; D258-D260 PolarHBondContact O-N 2.79Å; D258-R261 WeakPolarHBondContact O-CB 3.42Å; D258-R261 PolarHBondContact O-N 3.37Å
259D93.2Very high95.5Very high11 Ų1149 Ų496%0.05925%0.253CS..G310 helixtrans-67.8-23.3177-160.582.3000112.4K234 R237 R253 S257 R261 L262K234-D259 WeakPolarHBondContact CB-OD2 3.42Å; R237-D259 IonicContact CZ-OD2 2.98Å; R237-D259 IonicContact NH2-OD1 3.87Å; R237-D259 PolarHBondContact NH2-OD1 2.82Å; R237-D259 IonicContact NH2-OD2 3.93Å; R237-D259 PolarHBondContact NH2-OD2 3.07Å; R253-D259 HydrophobicContact CG-CB 4.49Å; R253-D259 WeakPolarHBondContact CG-OD1 2.95Å; R253-D259 IonicContact CZ-OD1 3.17Å; R253-D259 IonicContact NE-OD1 3.17Å; R253-D259 PolarHBondContact NE-OD1 2.88Å; R253-D259 IonicContact NH2-OD1 2.97Å; R253-D259 PolarHBondContact NH2-OD1 3.47Å; S257-D259 PolarHBondContact O-N 2.81Å; D259-R261 PolarHBondContact O-N 3.36Å; D259-L262 VanDerWaalsContact O-CB 3.26Å; D259-L262 WeakPolarHBondContact O-CB 3.46Å; D259-L262 WeakPolarHBondContact O-CG 3.3Å; D259-L262 PolarHBondContact O-N 2.96Å; D259-L262 WeakPolarHBondContact OD1-CD1 3.26Å
260D94.2Very high95.3Very high40 Ų4054 Ų5421%0.21427%0.27CS..G310 helixtrans-68-20.2179.2-59.5-14.7000111.6K234 S257 D258 L262 T263 I277 T279K234-D260 IonicContact NZ-OD1 2.61Å; K234-D260 PolarHBondContact NZ-OD1 2.85Å; S257-D260 VanDerWaalsContact O-CB 3.3Å; S257-D260 WeakPolarHBondContact O-CB 3.27Å; S257-D260 PolarHBondContact O-N 3.38Å; D258-D260 PolarHBondContact O-N 2.79Å; D260-L262 PolarHBondContact O-N 2.9Å; D260-T263 PolarHBondContact O-N 2.6Å; D260-T263 PolarHBondContact O-OG1 3.17Å; D260-I277 HydrophobicContact CB-CG2 3.96Å; D260-T279 HydrophobicContact CB-CG2 3.79Å
261R92.7Very high95.2Very high86 Ų8650.8 Ų50.833%0.32528%0.275SS..G310 helixtrans-63.7-25.6172.7-169.8175.6177.7108.1-1.8112.3D258 D259 T263 A264 E342D258-R261 WeakPolarHBondContact O-CB 3.42Å; D258-R261 PolarHBondContact O-N 3.37Å; D259-R261 PolarHBondContact O-N 3.36Å; R261-T263 PolarHBondContact O-N 3.05Å; R261-T263 VanDerWaalsContact O-N 3.15Å; R261-A264 VanDerWaalsContact O-CB 3.29Å; R261-A264 WeakPolarHBondContact O-CB 3.41Å; R261-A264 PolarHBondContact O-N 3.4Å; R261-A264 VanDerWaalsContact O-N 3.16Å; R261-E342 IonicContact CZ-OE2 3.52Å; R261-E342 IonicContact NE-OE2 3.56Å; R261-E342 PolarHBondContact NE-OE2 3.45Å; R261-E342 IonicContact NH2-OE1 3.92Å; R261-E342 PolarHBondContact NH2-OE1 3.29Å; R261-E342 IonicContact NH2-OE2 2.86Å; R261-E342 PolarHBondContact NH2-OE2 3Å
262L93.3Very high95.2Very high7 Ų750.5 Ų50.54%0.03727%0.272CS..G310 helixtrans-66.7-11.1177.1-63.2179.8000113.2D259 D260 N343 I344 K379 C380D259-L262 VanDerWaalsContact O-CB 3.26Å; D259-L262 WeakPolarHBondContact O-CB 3.46Å; D259-L262 WeakPolarHBondContact O-CG 3.3Å; D259-L262 PolarHBondContact O-N 2.96Å; D259-L262 WeakPolarHBondContact OD1-CD1 3.26Å; D260-L262 PolarHBondContact O-N 2.9Å; L262-N343 CarbonylContact O-C 3.5Å; L262-N343 VanDerWaalsContact O-CA 3.29Å; L262-N343 WeakPolarHBondContact O-CA 3.26Å; L262-I344 HydrophobicContact CB-CB 4.26Å; L262-I344 HydrophobicContact CB-CG2 4.32Å; L262-I344 WeakPolarHBondContact O-CG2 3.36Å; L262-I344 PolarHBondContact O-N 3.09Å; L262-K379 HydrophobicContact CD2-CB 4.3Å; L262-C380 HydrophobicContact CD1-CB 3.99Å
263T96.1Very high95.2Very high4 Ų447.7 Ų47.73%0.02527%0.268CS..G310 helixtrans-114.714.8177.845.50000112.6D260 R261 I278 E280 M309 N343 Y345D260-T263 PolarHBondContact O-N 2.6Å; D260-T263 PolarHBondContact O-OG1 3.17Å; R261-T263 PolarHBondContact O-N 3.05Å; R261-T263 VanDerWaalsContact O-N 3.15Å; T263-I278 CarbonylContact C-O 3.58Å; T263-I278 VanDerWaalsContact CB-O 3.32Å; T263-I278 WeakPolarHBondContact CB-O 3.37Å; T263-I278 WeakPolarHBondContact O-CG1 3.4Å; T263-I278 PolarHBondContact OG1-O 3.28Å; T263-E280 WeakPolarHBondContact CG2-OE1 3.44Å; T263-M309 HydrophobicContact CG2-SD 4.4Å; T263-N343 VanDerWaalsContact C-ND2 3.32Å; T263-N343 PolarHBondContact O-ND2 3.45Å; T263-Y345 HydrophobicContact CG2-CE2 4.16Å
264A96.7Very high95.3Very high0 Ų049.4 Ų49.40%028%0.276CS..  trans-61.3147.8179.200000113.4R261 P275 I276 H340 N343R261-A264 VanDerWaalsContact O-CB 3.29Å; R261-A264 WeakPolarHBondContact O-CB 3.41Å; R261-A264 PolarHBondContact O-N 3.4Å; R261-A264 VanDerWaalsContact O-N 3.16Å; A264-P275 HydrophobicContact CB-CB 3.63Å; A264-I276 CarbonylContact C-O 3.55Å; A264-I276 WeakPolarHBondContact CA-O 3.1Å; A264-I276 WeakPolarHBondContact CB-O 3.49Å; A264-H340 HydrophobicContact CB-CB 4.23Å; A264-H340 WeakPolarHBondContact O-CB 3.35Å; A264-H340 PolarHBondContact O-N 3.09Å; A264-H340 VanDerWaalsContact O-N 3.16Å; A264-N343 WeakPolarHBondContact O-CB 3.29Å; A264-N343 PolarHBondContact O-ND2 3.46Å
265I97.9Very high95.3Very high0 Ų049.4 Ų49.40%028%0.277CS..EExtended strand (participates in β ladder)trans-109.4165.4177.264.6171.1000111I276 I278 L301 I302 A305 L338 L339I265-I276 HydrophobicContact CG1-CB 3.81Å; I265-I276 HydrophobicContact CG1-CG2 4.23Å; I265-I276 PolarHBondContact N-O 3.17Å; I265-I276 PolarHBondContact O-N 3.27Å; I265-I278 HydrophobicContact CB-CD1 4.47Å; I265-I278 HydrophobicContact CD1-CD1 4.15Å; I265-I278 HydrophobicContact CD1-CG2 4.47Å; I265-I278 HydrophobicContact CG1-CD1 4.3Å; I265-I278 HydrophobicContact CG1-CG1 4.38Å; I265-I278 HydrophobicContact CG1-CG2 4.5Å; I265-I278 HydrophobicContact CG2-CD1 3.44Å; I265-I278 VanDerWaalsContact CG2-CD1 3.44Å; I265-I278 HydrophobicContact CG2-CG1 3.82Å; I265-L301 HydrophobicContact CD1-CD2 4.45Å; I265-L301 HydrophobicContact CD1-CG 4.23Å; I265-I302 HydrophobicContact CD1-CG1 4.28Å; I265-A305 HydrophobicContact CG2-CB 3.48Å; I265-A305 VanDerWaalsContact CG2-CB 3.48Å; I265-L338 WeakPolarHBondContact CB-O 3.39Å; I265-L339 HydrophobicContact CG2-CD2 4.08Å
266R97.5Very high95.4Very high80 Ų8043.9 Ų43.930%0.30225%0.248SC..EExtended strand (participates in β ladder)trans-68.5146.9172.7-65.2-17568.9-173.90.1110.1R270 E336 L338 L339R266-R270 PolarHBondContact NH2-O 3.14Å; R266-E336 WeakPolarHBondContact CD-O 3.46Å; R266-E336 PolarHBondContact NH1-O 3.06Å; R266-L338 PolarHBondContact N-O 3.48Å; R266-L339 VanDerWaalsContact CG-O 3.26Å; R266-L339 WeakPolarHBondContact CG-O 3.34Å
267C98.1Very high95.5Very high1 Ų146.4 Ų46.41%0.00726%0.258CS..  trans-56.4149165.9-170.30000111N269 R270 C272 I276 C293C267-N269 WeakPolarHBondContact CB-O 3.4Å; C267-N269 PolarHBondContact O-N 3.48Å; C267-N269 PolarHBondContact SG-N 2.85Å; C267-N269 VanDerWaalsContact SG-N 3.42Å; C267-R270 PolarHBondContact O-NH1 3.37Å; C267-R270 VanDerWaalsContact O-NH1 3.13Å; C267-C272 HydrophobicContact CB-CB 3.86Å; C267-I276 HydrophobicContact CB-CD1 4.32Å; C267-I276 HydrophobicContact CB-CG1 4.26Å; C267-C293 VanDerWaalsContact SG-SG 3.65Å
268A96.7Very high95.7Very high33 Ų3342.5 Ų42.527%0.27323%0.23SC..SBendtrans-62.5-35.1170.800000111.2R270 T295 I297 L301A268-R270 PolarHBondContact O-N 3.39Å; A268-T295 HydrophobicContact CB-CG2 4.02Å; A268-I297 HydrophobicContact CB-CD1 4.19Å; A268-L301 HydrophobicContact CB-CD2 4.15Å
269N97.1Very high95.9Very high62 Ų6237.5 Ų37.533%0.33220%0.204SC..SBendtrans-73.7105.5164.6176.92.4000109.2C267 A271 C272 T295C267-N269 WeakPolarHBondContact CB-O 3.4Å; C267-N269 PolarHBondContact O-N 3.48Å; C267-N269 PolarHBondContact SG-N 2.85Å; C267-N269 VanDerWaalsContact SG-N 3.42Å; N269-A271 PolarHBondContact O-N 3.23Å; N269-A271 WeakPolarHBondContact OD1-CB 3.25Å; N269-A271 PolarHBondContact OD1-N 3.37Å; N269-A271 VanDerWaalsContact OD1-N 3.13Å; N269-C272 HydrophobicContact CB-CB 4.19Å; N269-C272 VanDerWaalsContact O-CB 3.3Å; N269-C272 WeakPolarHBondContact O-CB 3.35Å; N269-C272 PolarHBondContact O-N 3.09Å; N269-T295 HydrophobicContact CB-CG2 4.01Å; N269-T295 WeakPolarHBondContact CB-OG1 3.38Å
270R93.9Very high96.1Very high109 Ų10937.2 Ų37.241%0.41120%0.202SC..THydrogen-bonded Turntrans-69.3-16.8-173.9-56.8-50.8-171.7175.710.4114.5R266 C267 A268 C272 K337R266-R270 PolarHBondContact NH2-O 3.14Å; C267-R270 PolarHBondContact O-NH1 3.37Å; C267-R270 VanDerWaalsContact O-NH1 3.13Å; A268-R270 PolarHBondContact O-N 3.39Å; R270-C272 VanDerWaalsContact C-N 3.32Å; R270-K337 VanDerWaalsContact CZ-O 3.25Å; R270-K337 PolarHBondContact NH1-O 3.1Å; R270-K337 PolarHBondContact NH2-O 3.29Å; R270-K337 VanDerWaalsContact NH2-O 3.12Å
271A95.3Very high96.2Very high96 Ų9639.6 Ų39.679%0.79322%0.219SC*.THydrogen-bonded Turntrans-79.3-16.117200000112.6N269N269-A271 PolarHBondContact O-N 3.23Å; N269-A271 WeakPolarHBondContact OD1-CB 3.25Å; N269-A271 PolarHBondContact OD1-N 3.37Å; N269-A271 VanDerWaalsContact OD1-N 3.13Å
272C97.1Very high96.3Very high15 Ų1538.1 Ų38.110%0.10122%0.216CC..  trans-83.3126.9177-175.70000110.8C267 N269 R270 E274 C290 C293C267-C272 HydrophobicContact CB-CB 3.86Å; N269-C272 HydrophobicContact CB-CB 4.19Å; N269-C272 VanDerWaalsContact O-CB 3.3Å; N269-C272 WeakPolarHBondContact O-CB 3.35Å; N269-C272 PolarHBondContact O-N 3.09Å; R270-C272 VanDerWaalsContact C-N 3.32Å; C272-E274 VanDerWaalsContact C-N 3.35Å; C272-E274 VanDerWaalsContact SG-CB 3.52Å; C272-E274 PolarHBondContact SG-N 2.84Å; C272-C290 VanDerWaalsContact SG-SG 3.65Å; C272-C293 HydrophobicContact CB-CB 4.37Å; C272-C293 VanDerWaalsContact SG-SG 3.67Å
273S94.2Very high96.4Very high81 Ų8143.9 Ų43.957%0.56625%0.251SS*.  trans-89.12.2177.261.20000113.9H340S273-H340 PolarHBondContact O-NE2 3.08Å; S273-H340 VanDerWaalsContact O-NE2 3.11Å
274E96.7Very high96.3Very high43 Ų4344.7 Ų44.720%0.20126%0.256CS..  trans-72.7126.7-177.3-175.157.7-158.500111.2C272 I276 P291 M292C272-E274 VanDerWaalsContact C-N 3.35Å; C272-E274 VanDerWaalsContact SG-CB 3.52Å; C272-E274 PolarHBondContact SG-N 2.84Å; E274-I276 PolarHBondContact O-N 2.9Å; E274-P291 HydrophobicContact CG-CG 3.77Å; E274-M292 HydrophobicContact CB-CB 3.6Å; E274-M292 HydrophobicContact CB-CE 4.02Å; E274-M292 HydrophobicContact CB-CG 4.38Å; E274-M292 HydrophobicContact CB-SD 3.93Å; E274-M292 HydrophobicContact CG-CB 3.76Å; E274-M292 HydrophobicContact CG-CE 4.45Å; E274-M292 WeakPolarHBondContact OE2-CE 3.45Å
275P95.6Very high96.1Very high4 Ų447 Ų473%0.02627%0.271CS..EExtended strand (participates in β ladder)trans-67.2129.3172.323.1-29.9000111.2A264 I277 H340A264-P275 HydrophobicContact CB-CB 3.63Å; P275-I277 PolarHBondContact O-N 3.38Å; P275-H340 HydrophobicContact CB-CB 4.36Å
276I97.8Very high95.8Very high4 Ų454.9 Ų54.92%0.02131%0.306CS..EExtended strand (participates in β ladder)trans-89.7107.9169.2-52.1-55.1000107.8A264 I265 C267 E274 I278 L288 C290 I297A264-I276 CarbonylContact C-O 3.55Å; A264-I276 WeakPolarHBondContact CA-O 3.1Å; A264-I276 WeakPolarHBondContact CB-O 3.49Å; I265-I276 HydrophobicContact CG1-CB 3.81Å; I265-I276 HydrophobicContact CG1-CG2 4.23Å; I265-I276 PolarHBondContact N-O 3.17Å; I265-I276 PolarHBondContact O-N 3.27Å; C267-I276 HydrophobicContact CB-CD1 4.32Å; C267-I276 HydrophobicContact CB-CG1 4.26Å; E274-I276 PolarHBondContact O-N 2.9Å; I276-I278 HydrophobicContact CG2-CG2 4.34Å; I276-I278 PolarHBondContact O-N 2.71Å; I276-L288 HydrophobicContact CG2-CD2 3.67Å; I276-L288 HydrophobicContact CG2-CG 4.39Å; I276-C290 HydrophobicContact CD1-CB 3.75Å; I276-I297 HydrophobicContact CD1-CD1 3.95Å; I276-I297 HydrophobicContact CD1-CG1 4.25Å; I276-I297 HydrophobicContact CG1-CD1 3.89Å; I276-I297 HydrophobicContact CG1-CG1 4.24Å; I276-I297 HydrophobicContact CG2-CG1 4.1Å; I276-I297 HydrophobicContact CG2-CG2 4.39Å
277I96.7Very high95.6Very high88 Ų8860.2 Ų60.245%0.45133%0.331SS..  trans-70.4117.4-177.5-57.6179.1000109.1D260 P275D260-I277 HydrophobicContact CB-CG2 3.96Å; P275-I277 PolarHBondContact O-N 3.38Å
278I96.9Very high95.5Very high1 Ų162 Ų621%0.00534%0.341CS..  trans-136.5165.2170.367.6160.7000109.3T263 I265 I276 M282 L288 I302 A305 Q306 M309T263-I278 CarbonylContact C-O 3.58Å; T263-I278 VanDerWaalsContact CB-O 3.32Å; T263-I278 WeakPolarHBondContact CB-O 3.37Å; T263-I278 WeakPolarHBondContact O-CG1 3.4Å; T263-I278 PolarHBondContact OG1-O 3.28Å; I265-I278 HydrophobicContact CB-CD1 4.47Å; I265-I278 HydrophobicContact CD1-CD1 4.15Å; I265-I278 HydrophobicContact CD1-CG2 4.47Å; I265-I278 HydrophobicContact CG1-CD1 4.3Å; I265-I278 HydrophobicContact CG1-CG1 4.38Å; I265-I278 HydrophobicContact CG1-CG2 4.5Å; I265-I278 HydrophobicContact CG2-CD1 3.44Å; I265-I278 VanDerWaalsContact CG2-CD1 3.44Å; I265-I278 HydrophobicContact CG2-CG1 3.82Å; I276-I278 HydrophobicContact CG2-CG2 4.34Å; I276-I278 PolarHBondContact O-N 2.71Å; I278-M282 WeakPolarHBondContact CA-SD 3.46Å; I278-M282 HydrophobicContact CB-SD 3.59Å; I278-M282 VanDerWaalsContact CB-SD 3.59Å; I278-M282 HydrophobicContact CG2-SD 3.96Å; I278-L288 HydrophobicContact CG2-CD2 4.42Å; I278-I302 HydrophobicContact CD1-CG2 4.04Å; I278-I302 HydrophobicContact CG2-CG1 4.48Å; I278-I302 HydrophobicContact CG2-CG2 4.26Å; I278-A305 HydrophobicContact CD1-CB 4.3Å; I278-Q306 HydrophobicContact CD1-CG 4.19Å; I278-M309 HydrophobicContact CD1-CE 4.06Å
279T96.8Very high95.5Very high23 Ų2366.5 Ų66.514%0.14135%0.351CS..  trans-117.7164.7165.9690000110.9D260 T281 M282 Q306D260-T279 HydrophobicContact CB-CG2 3.79Å; T279-T281 PolarHBondContact O-N 3.28Å; T279-M282 PolarHBondContact N-SD 3.15Å; T279-M282 VanDerWaalsContact N-SD 3.4Å; T279-M282 VanDerWaalsContact OG1-CB 3.32Å; T279-M282 WeakPolarHBondContact OG1-CB 3.28Å; T279-M282 PolarHBondContact OG1-N 2.73Å; T279-Q306 PolarHBondContact O-NE2 3.35Å
280E97Very high95.6Very high4 Ų463.7 Ų63.72%0.01934%0.335CS..SBendtrans-63.8-23178.4-57.495.4141.700112.7S233 Y235 T263 M309 K310 Y345S233-E280 WeakPolarHBondContact CB-OE1 3.2Å; S233-E280 PolarHBondContact OG-OE1 3.31Å; Y235-E280 WeakPolarHBondContact CB-OE2 3.37Å; Y235-E280 HydrophobicContact CD1-CB 4.23Å; Y235-E280 HydrophobicContact CD1-CG 4.3Å; Y235-E280 HydrophobicContact CG-CB 4.17Å; Y235-E280 HydrophobicContact CG-CG 4.5Å; T263-E280 WeakPolarHBondContact CG2-OE1 3.44Å; E280-M309 HydrophobicContact CG-CB 4.1Å; E280-M309 HydrophobicContact CG-CE 4.12Å; E280-M309 HydrophobicContact CG-SD 4.36Å; E280-K310 HydrophobicContact CB-CG 4.29Å; E280-K310 WeakPolarHBondContact O-CE 3.35Å; E280-K310 PolarHBondContact O-NZ 2.65Å; E280-Y345 HydrophobicContact CG-CE2 4.34Å; E280-Y345 WeakPolarHBondContact OE1-CE2 3.24Å; E280-Y345 VanDerWaalsContact OE1-CZ 3.31Å; E280-Y345 PolarHBondContact OE1-OH 2.92Å
281T95.5Very high95.7Very high91 Ų9163.3 Ų63.356%0.55835%0.347SS*.SBendtrans-117.5-5.2-170.858.20000114.2Y235 T279Y235-T281 HydrophobicContact CD2-CG2 3.5Å; Y235-T281 HydrophobicContact CE2-CG2 3.83Å; Y235-T281 HydrophobicContact CG-CG2 4.34Å; T279-T281 PolarHBondContact O-N 3.28Å
282M95.2Very high95.8Very high54 Ų5464.1 Ų64.127%0.26634%0.336SS..SBendtrans-64.7147.3176.267.4176.5-63.300111.2I278 T279 P284 P285 Q306I278-M282 WeakPolarHBondContact CA-SD 3.46Å; I278-M282 HydrophobicContact CB-SD 3.59Å; I278-M282 VanDerWaalsContact CB-SD 3.59Å; I278-M282 HydrophobicContact CG2-SD 3.96Å; T279-M282 PolarHBondContact N-SD 3.15Å; T279-M282 VanDerWaalsContact N-SD 3.4Å; T279-M282 VanDerWaalsContact OG1-CB 3.32Å; T279-M282 WeakPolarHBondContact OG1-CB 3.28Å; T279-M282 PolarHBondContact OG1-N 2.73Å; M282-P284 WeakPolarHBondContact O-CD 3.29Å; M282-P285 HydrophobicContact CE-CG 3.62Å; M282-Q306 PolarHBondContact O-NE2 2.81Å
283V96.6Very high95.9Very high128 Ų12865.5 Ų65.578%0.77635%0.345SS*.PPolyproline II helixtrans-70.2124.4168.1-179.70000108.2P285V283-P285 WeakPolarHBondContact O-CD 3.26Å
284P94.1Very high96Very high21 Ų2166.3 Ų66.314%0.13634%0.343CS..PPolyproline II helixtrans-55.1125.1178.1-29.838.1000112.7M282 E299 I302 I303M282-P284 WeakPolarHBondContact O-CD 3.29Å; P284-E299 HydrophobicContact CB-CG 3.54Å; P284-E299 HydrophobicContact CG-CG 4.31Å; P284-I302 HydrophobicContact CB-CB 4.33Å; P284-I302 HydrophobicContact CB-CD1 4.29Å; P284-I302 HydrophobicContact CB-CG2 4.12Å; P284-I302 HydrophobicContact CG-CB 4.49Å; P284-I302 HydrophobicContact CG-CG2 4.01Å; P284-I303 HydrophobicContact CG-CD1 4.47Å; P284-I303 HydrophobicContact CG-CG1 3.84Å
285P92.4Very high96.1Very high48 Ų4866.3 Ų66.331%0.31235%0.346SS..PPolyproline II helixtrans-78.7126.9-179.5-11.327.9000111.1M282 V283 K287 L288M282-P285 HydrophobicContact CE-CG 3.62Å; V283-P285 WeakPolarHBondContact O-CD 3.26Å; P285-K287 PolarHBondContact O-N 3.24Å; P285-L288 HydrophobicContact CB-CB 4.2Å; P285-L288 HydrophobicContact CG-CB 4.35Å; P285-L288 PolarHBondContact O-N 2.95Å
286K90.5Very high96.2Very high167 Ų16774 Ų7473%0.72638%0.375SS*.THydrogen-bonded Turntrans-57.4-22.5-178.5-67.6-175.7176.7-177.70115.5
287K92.7Very high96.2Very high191 Ų19174 Ų7483%0.8337%0.374SS*.THydrogen-bonded Turntrans-127.631-174.7-63.2-175.7179.5179.40112.8P285 R289P285-K287 PolarHBondContact O-N 3.24Å; K287-R289 PolarHBondContact O-N 3.35Å
288L96.2Very high96.2Very high40 Ų4072.1 Ų72.121%0.20937%0.368CS..  trans-65.7131.9176.8-172.361.6000110.9I276 I278 P285 I297 I302I276-L288 HydrophobicContact CG2-CD2 3.67Å; I276-L288 HydrophobicContact CG2-CG 4.39Å; I278-L288 HydrophobicContact CG2-CD2 4.42Å; P285-L288 HydrophobicContact CB-CB 4.2Å; P285-L288 HydrophobicContact CG-CB 4.35Å; P285-L288 PolarHBondContact O-N 2.95Å; L288-I297 HydrophobicContact CB-CB 4.23Å; L288-I297 HydrophobicContact CD2-CB 4.19Å; L288-I297 HydrophobicContact CD2-CG1 4.4Å; L288-I297 HydrophobicContact CD2-CG2 4.25Å; L288-I297 HydrophobicContact CG-CB 4.14Å; L288-I297 HydrophobicContact CG-CG1 4.16Å; L288-I297 PolarHBondContact O-N 2.97Å; L288-I302 HydrophobicContact CD2-CD1 3.71Å
289R97.7Very high96.2Very high127 Ų12775.7 Ų75.748%0.47939%0.385SS..BIsolated β-bridgetrans-129.2149.1176.4-70.1-179.1171.9-97.35.8110K287 D294 T295K287-R289 PolarHBondContact O-N 3.35Å; R289-D294 VanDerWaalsContact CD-OD1 3.3Å; R289-D294 WeakPolarHBondContact CD-OD1 3.43Å; R289-D294 IonicContact CZ-OD2 2.66Å; R289-D294 PolarHBondContact NH1-O 3.19Å; R289-D294 IonicContact NH1-OD1 3.04Å; R289-D294 IonicContact NH1-OD2 3.53Å; R289-D294 PolarHBondContact NH1-OD2 2.94Å; R289-T295 WeakPolarHBondContact CA-O 3.41Å
290C98.1Very high96.1Very high2 Ų281 Ų811%0.01441%0.408CS..  trans-65.5128.1174.3179.40000110.4C272 I276 M292 D294 T295 I297C272-C290 VanDerWaalsContact SG-SG 3.65Å; I276-C290 HydrophobicContact CD1-CB 3.75Å; C290-M292 PolarHBondContact O-N 2.74Å; C290-D294 VanDerWaalsContact O-CA 3.24Å; C290-D294 WeakPolarHBondContact O-CA 3.43Å; C290-D294 PolarHBondContact O-N 3Å; C290-T295 PolarHBondContact N-O 3.41Å; C290-I297 HydrophobicContact CB-CD1 4.36Å
291P96.7Very high96.1Very high101 Ų10181.7 Ų81.766%0.65641%0.412SS*.THydrogen-bonded Turntrans-69.2-17.6-178.826.5-32.3000113.5E274E274-P291 HydrophobicContact CG-CG 3.77Å
292M97.5Very high96.2Very high114 Ų11477.4 Ų77.456%0.56239%0.385SS*.THydrogen-bonded Turntrans-95.9-41.6-178.8-176.4-178.7-75.800113.9E274 C290E274-M292 HydrophobicContact CB-CB 3.6Å; E274-M292 HydrophobicContact CB-CE 4.02Å; E274-M292 HydrophobicContact CB-CG 4.38Å; E274-M292 HydrophobicContact CB-SD 3.93Å; E274-M292 HydrophobicContact CG-CB 3.76Å; E274-M292 HydrophobicContact CG-CE 4.45Å; E274-M292 WeakPolarHBondContact OE2-CE 3.45Å; C290-M292 PolarHBondContact O-N 2.74Å
293C97.9Very high96.4Very high44 Ų4478.3 Ų78.330%0.29739%0.391SS..THydrogen-bonded Turntrans-121.27.8-173.271.40000114.2C267 C272 T295C267-C293 VanDerWaalsContact SG-SG 3.65Å; C272-C293 HydrophobicContact CB-CB 4.37Å; C272-C293 VanDerWaalsContact SG-SG 3.67Å; C293-T295 PolarHBondContact O-N 3.33Å; C293-T295 PolarHBondContact SG-OG1 2.86Å
294D97.4Very high96.4Very high98 Ų9876.3 Ų76.352%0.52437%0.373SS..  trans56.53.8-179.3-162.753000116.3R289 C290 R296R289-D294 VanDerWaalsContact CD-OD1 3.3Å; R289-D294 WeakPolarHBondContact CD-OD1 3.43Å; R289-D294 IonicContact CZ-OD2 2.66Å; R289-D294 PolarHBondContact NH1-O 3.19Å; R289-D294 IonicContact NH1-OD1 3.04Å; R289-D294 IonicContact NH1-OD2 3.53Å; R289-D294 PolarHBondContact NH1-OD2 2.94Å; C290-D294 VanDerWaalsContact O-CA 3.24Å; C290-D294 WeakPolarHBondContact O-CA 3.43Å; C290-D294 PolarHBondContact O-N 3Å; D294-R296 PolarHBondContact O-N 3.09Å
295T98.1Very high96.6Very high43 Ų4375.3 Ų75.326%0.26437%0.367SS..  trans-58.1127178.9-63.10000109.9A268 N269 R289 C290 C293 I297A268-T295 HydrophobicContact CB-CG2 4.02Å; N269-T295 HydrophobicContact CB-CG2 4.01Å; N269-T295 WeakPolarHBondContact CB-OG1 3.38Å; R289-T295 WeakPolarHBondContact CA-O 3.41Å; C290-T295 PolarHBondContact N-O 3.41Å; C293-T295 PolarHBondContact O-N 3.33Å; C293-T295 PolarHBondContact SG-OG1 2.86Å; T295-I297 PolarHBondContact O-N 3.18Å
296R97.5Very high96.9Very high165 Ų16573.8 Ų73.862%0.62336%0.355SS*.BIsolated β-bridgetrans-62130.9174.2-177-179.6179.4-175.2-2109.6D294 P298D294-R296 PolarHBondContact O-N 3.09Å; R296-P298 WeakPolarHBondContact O-CD 3.47Å
297I97.9Very high97.3Very high3 Ų369 Ų692%0.01534%0.343CS..  trans-93.7115.8176.3-52-54.4000108A268 I276 L288 C290 T295 L301 I302A268-I297 HydrophobicContact CB-CD1 4.19Å; I276-I297 HydrophobicContact CD1-CD1 3.95Å; I276-I297 HydrophobicContact CD1-CG1 4.25Å; I276-I297 HydrophobicContact CG1-CD1 3.89Å; I276-I297 HydrophobicContact CG1-CG1 4.24Å; I276-I297 HydrophobicContact CG2-CG1 4.1Å; I276-I297 HydrophobicContact CG2-CG2 4.39Å; L288-I297 HydrophobicContact CB-CB 4.23Å; L288-I297 HydrophobicContact CD2-CB 4.19Å; L288-I297 HydrophobicContact CD2-CG1 4.4Å; L288-I297 HydrophobicContact CD2-CG2 4.25Å; L288-I297 HydrophobicContact CG-CB 4.14Å; L288-I297 HydrophobicContact CG-CG1 4.16Å; L288-I297 PolarHBondContact O-N 2.97Å; C290-I297 HydrophobicContact CB-CD1 4.36Å; T295-I297 PolarHBondContact O-N 3.18Å; I297-L301 HydrophobicContact CG2-CD2 4.34Å; I297-I302 HydrophobicContact CG2-CD1 4.22Å; I297-I302 HydrophobicContact CG2-CG1 4.02Å
298P96.5Very high97.5Very high50 Ų5060.6 Ų60.633%0.32531%0.306SS..  trans-62.7145.4177.6-21.533.8000111.8R296 E300 L301R296-P298 WeakPolarHBondContact O-CD 3.47Å; P298-E300 VanDerWaalsContact C-N 3.27Å; P298-E300 WeakPolarHBondContact CB-OE2 3.17Å; P298-E300 PolarHBondContact O-N 3.42Å; P298-L301 HydrophobicContact CB-CB 4.32Å; P298-L301 PolarHBondContact O-N 3.4Å
299E96.9Very high97.6Very high76 Ų7658.7 Ų58.736%0.35530%0.296SS..Hα-helixtrans-64-38.4178.6-171.2171158.400110.8P284 L301 I302 I303P284-E299 HydrophobicContact CB-CG 3.54Å; P284-E299 HydrophobicContact CG-CG 4.31Å; E299-L301 VanDerWaalsContact C-N 3.28Å; E299-L301 PolarHBondContact O-N 3.14Å; E299-I302 WeakPolarHBondContact O-CB 3.43Å; E299-I302 PolarHBondContact O-N 3.36Å; E299-I302 VanDerWaalsContact O-N 3.1Å; E299-I303 HydrophobicContact CG-CD1 4Å; E299-I303 WeakPolarHBondContact O-CG1 2.95Å; E299-I303 PolarHBondContact O-N 3.02Å
300E96.5Very high97.5Very high135 Ų13557 Ų5763%0.63129%0.292SS*.Hα-helixtrans-62-36.5-179.8-56.676.4-166.200111.5P298 I302 I303 E304P298-E300 VanDerWaalsContact C-N 3.27Å; P298-E300 WeakPolarHBondContact CB-OE2 3.17Å; P298-E300 PolarHBondContact O-N 3.42Å; E300-I302 VanDerWaalsContact C-N 3.34Å; E300-I303 PolarHBondContact O-N 2.91Å; E300-E304 VanDerWaalsContact O-CB 3.31Å; E300-E304 WeakPolarHBondContact O-CB 3.49Å; E300-E304 PolarHBondContact O-N 2.9Å
301L96.7Very high97.4Very high18 Ų1860.7 Ų60.79%0.09432%0.323CS..Hα-helixtrans-66-38.5176.6179.364000111.4I265 A268 I297 P298 E299 A305 L338I265-L301 HydrophobicContact CD1-CD2 4.45Å; I265-L301 HydrophobicContact CD1-CG 4.23Å; A268-L301 HydrophobicContact CB-CD2 4.15Å; I297-L301 HydrophobicContact CG2-CD2 4.34Å; P298-L301 HydrophobicContact CB-CB 4.32Å; P298-L301 PolarHBondContact O-N 3.4Å; E299-L301 VanDerWaalsContact C-N 3.28Å; E299-L301 PolarHBondContact O-N 3.14Å; L301-A305 WeakPolarHBondContact O-CB 3.16Å; L301-A305 PolarHBondContact O-N 2.8Å; L301-A305 VanDerWaalsContact O-N 3.1Å; L301-L338 HydrophobicContact CD1-CD2 3.84Å
302I97.9Very high97.2Very high0 Ų056.3 Ų56.30%029%0.294CS..Hα-helixtrans-66.7-48.5176.6-59.1172.2000109.3I265 I278 P284 L288 I297 E299 E300 E304 A305 Q306I265-I302 HydrophobicContact CD1-CG1 4.28Å; I278-I302 HydrophobicContact CD1-CG2 4.04Å; I278-I302 HydrophobicContact CG2-CG1 4.48Å; I278-I302 HydrophobicContact CG2-CG2 4.26Å; P284-I302 HydrophobicContact CB-CB 4.33Å; P284-I302 HydrophobicContact CB-CD1 4.29Å; P284-I302 HydrophobicContact CB-CG2 4.12Å; P284-I302 HydrophobicContact CG-CB 4.49Å; P284-I302 HydrophobicContact CG-CG2 4.01Å; L288-I302 HydrophobicContact CD2-CD1 3.71Å; I297-I302 HydrophobicContact CG2-CD1 4.22Å; I297-I302 HydrophobicContact CG2-CG1 4.02Å; E299-I302 WeakPolarHBondContact O-CB 3.43Å; E299-I302 PolarHBondContact O-N 3.36Å; E299-I302 VanDerWaalsContact O-N 3.1Å; E300-I302 VanDerWaalsContact C-N 3.34Å; I302-E304 VanDerWaalsContact C-N 3.34Å; I302-E304 PolarHBondContact O-N 3.49Å; I302-A305 PolarHBondContact O-N 2.84Å; I302-Q306 HydrophobicContact CG2-CG 4.29Å; I302-Q306 WeakPolarHBondContact O-CB 3.45Å; I302-Q306 VanDerWaalsContact O-CG 3.26Å; I302-Q306 WeakPolarHBondContact O-CG 3.36Å; I302-Q306 PolarHBondContact O-N 3.21Å
303I97.9Very high96.8Very high74 Ų7453.4 Ų53.438%0.37928%0.284SS..Hα-helixtrans-61.1-42.9179.4-66.5169.2000111.1P284 E299 E300 Q306 S307P284-I303 HydrophobicContact CG-CD1 4.47Å; P284-I303 HydrophobicContact CG-CG1 3.84Å; E299-I303 HydrophobicContact CG-CD1 4Å; E299-I303 WeakPolarHBondContact O-CG1 2.95Å; E299-I303 PolarHBondContact O-N 3.02Å; E300-I303 PolarHBondContact O-N 2.91Å; I303-Q306 PolarHBondContact O-N 3.17Å; I303-S307 VanDerWaalsContact O-CB 3.29Å; I303-S307 WeakPolarHBondContact O-CB 3.42Å; I303-S307 PolarHBondContact O-N 3Å; I303-S307 PolarHBondContact O-OG 2.93Å
304E98Very high95.9Very high86 Ų8654.2 Ų54.240%0.40229%0.29SS..Hα-helixtrans-60.8-47.3177.1-172.7-173.917700111E300 I302 S307 F308 L338E300-E304 VanDerWaalsContact O-CB 3.31Å; E300-E304 WeakPolarHBondContact O-CB 3.49Å; E300-E304 PolarHBondContact O-N 2.9Å; I302-E304 VanDerWaalsContact C-N 3.34Å; I302-E304 PolarHBondContact O-N 3.49Å; E304-S307 PolarHBondContact O-N 3.09Å; E304-F308 WeakPolarHBondContact O-CB 3.45Å; E304-F308 PolarHBondContact O-N 2.76Å; E304-L338 HydrophobicContact CG-CD1 4.01Å; E304-L338 HydrophobicContact CG-CD2 4.36Å
305A98.2Very high94.9Very high0 Ų052.7 Ų52.70%028%0.284CS..Hα-helixtrans-65.5-41.717900000112.5I265 I278 L301 I302 F308 M309 L339I265-A305 HydrophobicContact CG2-CB 3.48Å; I265-A305 VanDerWaalsContact CG2-CB 3.48Å; I278-A305 HydrophobicContact CD1-CB 4.3Å; L301-A305 WeakPolarHBondContact O-CB 3.16Å; L301-A305 PolarHBondContact O-N 2.8Å; L301-A305 VanDerWaalsContact O-N 3.1Å; I302-A305 PolarHBondContact O-N 2.84Å; A305-F308 PolarHBondContact O-N 2.9Å; A305-M309 WeakPolarHBondContact O-CB 3.4Å; A305-M309 WeakPolarHBondContact O-CG 3.26Å; A305-M309 PolarHBondContact O-N 2.81Å; A305-L339 HydrophobicContact CB-CD2 4.22Å
306Q98.3Very high93.9Very high16 Ų1651.4 Ų51.48%0.07528%0.275CS..Hα-helixtrans-61.3-45175.1-73177.6-28.700111.6I278 T279 M282 I302 I303 M309 K310I278-Q306 HydrophobicContact CD1-CG 4.19Å; T279-Q306 PolarHBondContact O-NE2 3.35Å; M282-Q306 PolarHBondContact O-NE2 2.81Å; I302-Q306 HydrophobicContact CG2-CG 4.29Å; I302-Q306 WeakPolarHBondContact O-CB 3.45Å; I302-Q306 VanDerWaalsContact O-CG 3.26Å; I302-Q306 WeakPolarHBondContact O-CG 3.36Å; I302-Q306 PolarHBondContact O-N 3.21Å; I303-Q306 PolarHBondContact O-N 3.17Å; Q306-M309 PolarHBondContact O-N 2.86Å; Q306-K310 WeakPolarHBondContact O-CB 3.32Å; Q306-K310 WeakPolarHBondContact O-CG 3.48Å; Q306-K310 PolarHBondContact O-N 3.36Å
307S97.9Very high92.3Very high67 Ų6750.8 Ų50.847%0.46928%0.279SS..Hα-helixtrans-64.5-42.4178.6-58.40000111.1I303 E304 A311I303-S307 VanDerWaalsContact O-CB 3.29Å; I303-S307 WeakPolarHBondContact O-CB 3.42Å; I303-S307 PolarHBondContact O-N 3Å; I303-S307 PolarHBondContact O-OG 2.93Å; E304-S307 PolarHBondContact O-N 3.09Å; S307-A311 VanDerWaalsContact O-CB 3.28Å; S307-A311 WeakPolarHBondContact O-CB 3.45Å; S307-A311 PolarHBondContact O-N 2.77Å; S307-A311 VanDerWaalsContact O-N 3.08Å
308F97.9Very high90.5Very high13 Ų1353.8 Ų53.86%0.05730%0.299CS..Hα-helixtrans-61.6-51.4175176.4-114.2000111.9E304 A305 K310 A311 L312 Y331 K334 A335 L338 L339 L349E304-F308 WeakPolarHBondContact O-CB 3.45Å; E304-F308 PolarHBondContact O-N 2.76Å; A305-F308 PolarHBondContact O-N 2.9Å; F308-K310 VanDerWaalsContact C-N 3.33Å; F308-K310 PolarHBondContact O-N 2.86Å; F308-A311 PolarHBondContact O-N 3.29Å; F308-L312 HydrophobicContact CD1-CD1 4.49Å; F308-L312 HydrophobicContact CE1-CD1 4Å; F308-L312 HydrophobicContact CE2-CD2 3.94Å; F308-L312 HydrophobicContact CE2-CG 4.33Å; F308-L312 HydrophobicContact CZ-CD1 4.07Å; F308-L312 HydrophobicContact CZ-CD2 3.9Å; F308-L312 HydrophobicContact CZ-CG 4.24Å; F308-L312 WeakPolarHBondContact O-CG 3.35Å; F308-L312 PolarHBondContact O-N 3.26Å; F308-Y331 HydrophobicContact CE2-CD1 4.4Å; F308-Y331 WeakPolarHBondContact CZ-O 3.49Å; F308-K334 HydrophobicContact CD2-CD 3.61Å; F308-K334 HydrophobicContact CD2-CG 3.96Å; F308-K334 HydrophobicContact CE2-CB 4Å; F308-K334 HydrophobicContact CE2-CD 3.78Å; F308-K334 HydrophobicContact CE2-CG 3.85Å; F308-K334 HydrophobicContact CG-CD 4.28Å; F308-K334 HydrophobicContact CG-CG 4.36Å; F308-K334 HydrophobicContact CZ-CB 4.1Å; F308-K334 HydrophobicContact CZ-CG 4.17Å; F308-A335 HydrophobicContact CE1-CB 3.8Å; F308-A335 HydrophobicContact CZ-CB 4.07Å; F308-L338 HydrophobicContact CB-CD1 4.22Å; F308-L338 HydrophobicContact CD1-CD1 4.35Å; F308-L338 HydrophobicContact CG-CD1 4.31Å; F308-L339 HydrophobicContact CD1-CD1 4.01Å; F308-L339 HydrophobicContact CD1-CD2 4.37Å; F308-L339 HydrophobicContact CD1-CG 4.26Å; F308-L339 HydrophobicContact CE1-CD1 3.75Å; F308-L339 HydrophobicContact CE1-CG 4.23Å; F308-L349 HydrophobicContact CZ-CD1 4.39Å
309M97.6Very high88.9Confident0 Ų053 Ų530%030%0.295CS..Hα-helixtrans-59.2-40.6179.6-74-173.4-69.500112.8T263 I278 E280 A305 Q306 L339 N343 Y345T263-M309 HydrophobicContact CG2-SD 4.4Å; I278-M309 HydrophobicContact CD1-CE 4.06Å; E280-M309 HydrophobicContact CG-CB 4.1Å; E280-M309 HydrophobicContact CG-CE 4.12Å; E280-M309 HydrophobicContact CG-SD 4.36Å; A305-M309 WeakPolarHBondContact O-CB 3.4Å; A305-M309 WeakPolarHBondContact O-CG 3.26Å; A305-M309 PolarHBondContact O-N 2.81Å; Q306-M309 PolarHBondContact O-N 2.86Å; M309-L339 HydrophobicContact CG-CD1 4.19Å; M309-L339 HydrophobicContact CG-CD2 3.99Å; M309-L339 HydrophobicContact SD-CD2 4.14Å; M309-N343 PolarHBondContact SD-ND2 3.24Å; M309-Y345 HydrophobicContact CB-CD2 4.04Å; M309-Y345 HydrophobicContact CB-CE1 4.29Å; M309-Y345 HydrophobicContact CB-CE2 3.76Å; M309-Y345 HydrophobicContact CB-CG 4.41Å; M309-Y345 HydrophobicContact CG-CD2 3.6Å; M309-Y345 HydrophobicContact CG-CE2 3.77Å; M309-Y345 HydrophobicContact CG-CG 4.06Å; M309-Y345 VanDerWaalsContact O-CE1 3.3Å; M309-Y345 WeakPolarHBondContact O-CE1 3.44Å; M309-Y345 HydrophobicContact SD-CD2 3.53Å; M309-Y345 VanDerWaalsContact SD-CD2 3.53Å; M309-Y345 HydrophobicContact SD-CE2 3.6Å; M309-Y345 VanDerWaalsContact SD-CE2 3.6Å
310K96.5Very high87Confident91 Ų9155.9 Ų55.940%0.39631%0.313SS..Hα-helixtrans-70.2-29.7178.2-75.2174.4177.1164.50113.8Y235 E280 Q306 F308Y235-K310 HydrophobicContact CE1-CG 4.1Å; E280-K310 HydrophobicContact CB-CG 4.29Å; E280-K310 WeakPolarHBondContact O-CE 3.35Å; E280-K310 PolarHBondContact O-NZ 2.65Å; Q306-K310 WeakPolarHBondContact O-CB 3.32Å; Q306-K310 WeakPolarHBondContact O-CG 3.48Å; Q306-K310 PolarHBondContact O-N 3.36Å; F308-K310 VanDerWaalsContact C-N 3.33Å; F308-K310 PolarHBondContact O-N 2.86Å
311A95Very high85.7Confident80 Ų8055.7 Ų55.766%0.66131%0.312SS*.Hα-helixtrans-82.9-15.1-178.800000113.6S307 F308S307-A311 VanDerWaalsContact O-CB 3.28Å; S307-A311 WeakPolarHBondContact O-CB 3.45Å; S307-A311 PolarHBondContact O-N 2.77Å; S307-A311 VanDerWaalsContact O-N 3.08Å; F308-A311 PolarHBondContact O-N 3.29Å
312L93.6Very high84.3Confident9 Ų958.3 Ų58.35%0.04734%0.336CS..SBendtrans-65.7143.1176.4-72.4171000111.1F308 F316 Y331 Y345 L349F308-L312 HydrophobicContact CD1-CD1 4.49Å; F308-L312 HydrophobicContact CE1-CD1 4Å; F308-L312 HydrophobicContact CE2-CD2 3.94Å; F308-L312 HydrophobicContact CE2-CG 4.33Å; F308-L312 HydrophobicContact CZ-CD1 4.07Å; F308-L312 HydrophobicContact CZ-CD2 3.9Å; F308-L312 HydrophobicContact CZ-CG 4.24Å; F308-L312 WeakPolarHBondContact O-CG 3.35Å; F308-L312 PolarHBondContact O-N 3.26Å; L312-F316 HydrophobicContact CB-CE1 4.34Å; L312-F316 HydrophobicContact CB-CZ 4.19Å; L312-F316 HydrophobicContact CD1-CZ 4.45Å; L312-F316 HydrophobicContact CD2-CE1 4.21Å; L312-Y331 HydrophobicContact CD2-CD1 4.05Å; L312-Y331 HydrophobicContact CD2-CD2 3.89Å; L312-Y331 HydrophobicContact CD2-CE1 4.47Å; L312-Y331 HydrophobicContact CD2-CE2 4.32Å; L312-Y331 HydrophobicContact CD2-CG 3.75Å; L312-Y345 HydrophobicContact CB-CD1 4.41Å; L312-Y345 HydrophobicContact CD1-CD1 3.67Å; L312-Y345 HydrophobicContact CD1-CG 4.09Å; L312-L349 HydrophobicContact CD1-CD1 4.05Å; L312-L349 HydrophobicContact CD2-CD1 4.23Å; L312-L349 HydrophobicContact CD2-CD2 4.38Å
313P88.1Confident83.3Confident54 Ų5464.1 Ų64.135%0.35137%0.367SS..  trans-64.2153.1175.728.6-36.1000111.6T315 F316 Y331P313-T315 VanDerWaalsContact C-N 3.27Å; P313-T315 WeakPolarHBondContact CB-O 3.02Å; P313-T315 PolarHBondContact O-N 3.46Å; P313-F316 HydrophobicContact CG-CD1 3.78Å; P313-F316 HydrophobicContact CG-CE1 3.66Å; P313-Y331 HydrophobicContact CG-CE2 4.33Å
314S78.8Confident82.4Confident61 Ų6161.4 Ų61.443%0.42736%0.355SS..SBendtrans-66.2-31.2179.758.50000112.5R232 R348R232-S314 PolarHBondContact NH2-O 3.19Å; S314-R348 PolarHBondContact O-NH1 3.08Å; S314-R348 VanDerWaalsContact O-NH1 3.11Å; S314-R348 PolarHBondContact O-NH2 3.35Å
315T78.1Confident81.5Confident66 Ų6660.7 Ų60.741%0.40535%0.35SS..  trans-126.4144.8175.259.50000110.4P313P313-T315 VanDerWaalsContact C-N 3.27Å; P313-T315 WeakPolarHBondContact CB-O 3.02Å; P313-T315 PolarHBondContact O-N 3.46Å
316F75.7Confident80.9Confident16 Ų1664.8 Ų64.87%0.0737%0.369CS..  trans-113.767.3174.8-55.2-72.2000106.3L312 P313 P318 L328 R348 L349 S352L312-F316 HydrophobicContact CB-CE1 4.34Å; L312-F316 HydrophobicContact CB-CZ 4.19Å; L312-F316 HydrophobicContact CD1-CZ 4.45Å; L312-F316 HydrophobicContact CD2-CE1 4.21Å; P313-F316 HydrophobicContact CG-CD1 3.78Å; P313-F316 HydrophobicContact CG-CE1 3.66Å; F316-P318 WeakPolarHBondContact O-CD 3.34Å; F316-L328 HydrophobicContact CB-CD2 4.04Å; F316-L328 HydrophobicContact CD1-CD2 3.8Å; F316-L328 HydrophobicContact CG-CD2 4.22Å; F316-R348 HydrophobicContact CD2-CB 3.98Å; F316-R348 HydrophobicContact CE2-CB 3.73Å; F316-L349 HydrophobicContact CD1-CD2 3.69Å; F316-L349 HydrophobicContact CE1-CD2 3.35Å; F316-L349 HydrophobicContact CE1-CG 4.06Å; F316-L349 HydrophobicContact CE2-CD2 4.45Å; F316-L349 HydrophobicContact CE2-CG 4.42Å; F316-L349 HydrophobicContact CG-CD2 4.36Å; F316-L349 HydrophobicContact CZ-CD2 3.79Å; F316-L349 HydrophobicContact CZ-CG 3.96Å; F316-S352 VanDerWaalsContact CB-OG 3.26Å; F316-S352 WeakPolarHBondContact CB-OG 3.38Å
317Q65.1Low80.4Confident152 Ų15270 Ų7071%0.7139%0.388SS*.  trans-64.9126-179.6-78.9-173-11.200109.3S319Q317-S319 PolarHBondContact O-N 2.88Å; Q317-S319 VanDerWaalsContact O-N 3.08Å
318P59.7Low79.9Confident66 Ų6667.2 Ų67.243%0.42937%0.368SS..  trans-55.5111163.1-27.739.6000109.6F316 Q355 I356F316-P318 WeakPolarHBondContact O-CD 3.34Å; P318-Q355 HydrophobicContact CG-CB 4.09Å; P318-I356 HydrophobicContact CB-CD1 4.07Å; P318-I356 HydrophobicContact CB-CG1 3.38Å; P318-I356 HydrophobicContact CG-CD1 4.45Å; P318-I356 HydrophobicContact CG-CG1 3.9Å
319S62.6Low79.4Confident33 Ų3370.4 Ų70.423%0.23138%0.38CS..  trans-114.9143.7157.481.40000108.5Q317 E321 S324Q317-S319 PolarHBondContact O-N 2.88Å; Q317-S319 VanDerWaalsContact O-N 3.08Å; S319-E321 PolarHBondContact O-N 3.38Å; S319-E321 PolarHBondContact OG-OE2 3.45Å; S319-S324 WeakPolarHBondContact OG-CB 3.4Å; S319-S324 PolarHBondContact OG-OG 3.24Å
320D57.2Low79.1Confident137 Ų13774.4 Ų74.473%0.73340%0.401SS*.  trans-72.2-1.8178.2-89.1-45.2000113.4A322 K325D320-A322 PolarHBondContact O-N 2.76Å; D320-K325 IonicContact OD1-NZ 3.53Å; D320-K325 PolarHBondContact OD1-NZ 3.17Å
321E68.2Low79Confident130 Ų13073.1 Ų73.161%0.60739%0.394SS*.SBendtrans-61.2129.2174.6-61.5172.8162.900109.8S319 D323 S324 K325S319-E321 PolarHBondContact O-N 3.38Å; S319-E321 PolarHBondContact OG-OE2 3.45Å; E321-D323 PolarHBondContact O-N 2.89Å; E321-D323 VanDerWaalsContact O-N 3.11Å; E321-S324 WeakPolarHBondContact O-CB 3.28Å; E321-S324 PolarHBondContact O-N 3.43Å; E321-K325 PolarHBondContact O-N 2.88Å
322A67.2Low78.8Confident74 Ų7469.8 Ų69.861%0.61237%0.365SS*.Hα-helixtrans-52.9-35.9-179.100000112.2D320 S324 K325 E326D320-A322 PolarHBondContact O-N 2.76Å; A322-S324 VanDerWaalsContact C-N 3.3Å; A322-S324 PolarHBondContact O-N 2.84Å; A322-K325 PolarHBondContact O-N 3.41Å; A322-E326 PolarHBondContact O-N 3Å
323D78.2Confident78.8Confident121 Ų12173.1 Ų73.165%0.64738%0.38SS*.Hα-helixtrans-68-25.1178.8-65.4-10.8000113.6E321 R327E321-D323 PolarHBondContact O-N 2.89Å; E321-D323 VanDerWaalsContact O-N 3.11Å; D323-R327 WeakPolarHBondContact O-CB 3.46Å; D323-R327 PolarHBondContact O-N 3.03Å; D323-R327 PolarHBondContact O-NE 3.39Å
324S78.3Confident79.2Confident18 Ų1874.7 Ų74.713%0.12638%0.381CS..Hα-helixtrans-79-41.5175.3-70.60000111.4S319 E321 A322 L328S319-S324 WeakPolarHBondContact OG-CB 3.4Å; S319-S324 PolarHBondContact OG-OG 3.24Å; E321-S324 WeakPolarHBondContact O-CB 3.28Å; E321-S324 PolarHBondContact O-N 3.43Å; A322-S324 VanDerWaalsContact C-N 3.3Å; A322-S324 PolarHBondContact O-N 2.84Å; S324-L328 PolarHBondContact O-N 2.89Å; S324-L328 VanDerWaalsContact O-N 3.09Å
325K79.4Confident80Confident70 Ų7071.8 Ų71.830%0.30436%0.361SS..Hα-helixtrans-57.9-53.8174.8-80.7169.3-173.9168.10111.3D320 E321 A322 R327 L328 R329 I356D320-K325 IonicContact OD1-NZ 3.53Å; D320-K325 PolarHBondContact OD1-NZ 3.17Å; E321-K325 PolarHBondContact O-N 2.88Å; A322-K325 PolarHBondContact O-N 3.41Å; K325-R327 VanDerWaalsContact C-N 3.35Å; K325-R327 PolarHBondContact O-N 2.79Å; K325-L328 PolarHBondContact O-N 2.86Å; K325-R329 PolarHBondContact O-N 2.9Å; K325-R329 VanDerWaalsContact O-N 3.07Å; K325-I356 HydrophobicContact CD-CG2 3.79Å; K325-I356 HydrophobicContact CG-CG2 3.24Å
326E85.4Confident80.7Confident86 Ų8673.2 Ų73.240%0.40236%0.363SS..Hα-helixtrans-64.2-40.4-177.2178.858.2-171.400112.1A322 L328 R329 I330A322-E326 PolarHBondContact O-N 3Å; E326-L328 PolarHBondContact O-N 3.4Å; E326-R329 WeakPolarHBondContact O-CB 3.41Å; E326-R329 PolarHBondContact O-N 3.22Å; E326-R329 IonicContact OE1-CZ 2.81Å; E326-R329 IonicContact OE1-NE 3.9Å; E326-R329 IonicContact OE1-NH2 3.81Å; E326-R329 PolarHBondContact OE1-NH2 2.93Å; E326-R329 IonicContact OE2-CZ 3.92Å; E326-R329 IonicContact OE2-NE 3.55Å; E326-R329 PolarHBondContact OE2-NE 3.37Å; E326-R329 IonicContact OE2-NH2 3.85Å; E326-R329 PolarHBondContact OE2-NH2 3.22Å; E326-I330 HydrophobicContact CG-CD1 4.11Å; E326-I330 WeakPolarHBondContact O-CG1 3.24Å; E326-I330 PolarHBondContact O-N 2.58Å
327R87.9Confident81.7Confident125 Ų12578.9 Ų78.947%0.47239%0.388SS..Hα-helixtrans-62.3-42.2177-170.9-171.4-34.5-152.33.8112.6D323 K325 I330 Y331D323-R327 WeakPolarHBondContact O-CB 3.46Å; D323-R327 PolarHBondContact O-N 3.03Å; D323-R327 PolarHBondContact O-NE 3.39Å; K325-R327 VanDerWaalsContact C-N 3.35Å; K325-R327 PolarHBondContact O-N 2.79Å; R327-I330 PolarHBondContact O-N 2.67Å; R327-Y331 HydrophobicContact CG-CD2 4.25Å; R327-Y331 HydrophobicContact CG-CE1 4.39Å; R327-Y331 HydrophobicContact CG-CE2 3.62Å; R327-Y331 WeakPolarHBondContact O-CD2 3.4Å; R327-Y331 PolarHBondContact O-N 2.66Å
328L87.3Confident83.2Confident10 Ų1071.9 Ų71.95%0.05236%0.355CS..Hα-helixtrans-67-37.8176.9-79.1167.2000112.3F316 S324 K325 E326 Y331 L332 L349 Y353 I356F316-L328 HydrophobicContact CB-CD2 4.04Å; F316-L328 HydrophobicContact CD1-CD2 3.8Å; F316-L328 HydrophobicContact CG-CD2 4.22Å; S324-L328 PolarHBondContact O-N 2.89Å; S324-L328 VanDerWaalsContact O-N 3.09Å; K325-L328 PolarHBondContact O-N 2.86Å; E326-L328 PolarHBondContact O-N 3.4Å; L328-Y331 PolarHBondContact O-N 3Å; L328-L332 WeakPolarHBondContact O-CB 3.32Å; L328-L332 PolarHBondContact O-N 3.44Å; L328-L349 HydrophobicContact CD2-CD2 3.8Å; L328-Y353 HydrophobicContact CB-CD2 4.5Å; L328-I356 HydrophobicContact CD1-CD1 3.03Å; L328-I356 HydrophobicContact CD1-CG1 4.49Å; L328-I356 HydrophobicContact CG-CD1 4.46Å
329R87.7Confident84.9Confident80 Ų8068.9 Ų68.930%0.30234%0.336SS..Hα-helixtrans-58.2-49.4172.2-168.9-172.668.277.92.1111K325 E326 Y331 L332 E333 Y353K325-R329 PolarHBondContact O-N 2.9Å; K325-R329 VanDerWaalsContact O-N 3.07Å; E326-R329 WeakPolarHBondContact O-CB 3.41Å; E326-R329 PolarHBondContact O-N 3.22Å; E326-R329 IonicContact OE1-CZ 2.81Å; E326-R329 IonicContact OE1-NE 3.9Å; E326-R329 IonicContact OE1-NH2 3.81Å; E326-R329 PolarHBondContact OE1-NH2 2.93Å; E326-R329 IonicContact OE2-CZ 3.92Å; E326-R329 IonicContact OE2-NE 3.55Å; E326-R329 PolarHBondContact OE2-NE 3.37Å; E326-R329 IonicContact OE2-NH2 3.85Å; E326-R329 PolarHBondContact OE2-NH2 3.22Å; R329-Y331 PolarHBondContact O-N 3.35Å; R329-L332 PolarHBondContact O-N 2.52Å; R329-E333 IonicContact CZ-OE1 2.75Å; R329-E333 IonicContact NH1-OE1 3.14Å; R329-E333 PolarHBondContact NH1-OE1 3.28Å; R329-E333 IonicContact NH1-OE2 2.67Å; R329-E333 PolarHBondContact NH1-OE2 2.83Å; R329-E333 WeakPolarHBondContact O-CG 3.11Å; R329-E333 PolarHBondContact O-N 3.01Å; R329-Y353 HydrophobicContact CB-CE2 4.06Å; R329-Y353 HydrophobicContact CG-CE2 4.32Å
330I91.5Very high86.5Confident84 Ų8467.8 Ų67.843%0.43133%0.327SS..Hα-helixtrans-59.3-44.8178-67.9165.5000111.4E326 R327 K334E326-I330 HydrophobicContact CG-CD1 4.11Å; E326-I330 WeakPolarHBondContact O-CG1 3.24Å; E326-I330 PolarHBondContact O-N 2.58Å; R327-I330 PolarHBondContact O-N 2.67Å; I330-K334 PolarHBondContact O-N 3.3Å; I330-K334 VanDerWaalsContact O-N 3.16Å
331Y93.7Very high88Confident63 Ų6367 Ų6725%0.24732%0.317CS..Hα-helixtrans-63.3-42.8176.2-67.5-24.3000112.1F308 L312 P313 R327 L328 R329 K334 A335 L349F308-Y331 HydrophobicContact CE2-CD1 4.4Å; F308-Y331 WeakPolarHBondContact CZ-O 3.49Å; L312-Y331 HydrophobicContact CD2-CD1 4.05Å; L312-Y331 HydrophobicContact CD2-CD2 3.89Å; L312-Y331 HydrophobicContact CD2-CE1 4.47Å; L312-Y331 HydrophobicContact CD2-CE2 4.32Å; L312-Y331 HydrophobicContact CD2-CG 3.75Å; P313-Y331 HydrophobicContact CG-CE2 4.33Å; R327-Y331 HydrophobicContact CG-CD2 4.25Å; R327-Y331 HydrophobicContact CG-CE1 4.39Å; R327-Y331 HydrophobicContact CG-CE2 3.62Å; R327-Y331 WeakPolarHBondContact O-CD2 3.4Å; R327-Y331 PolarHBondContact O-N 2.66Å; L328-Y331 PolarHBondContact O-N 3Å; R329-Y331 PolarHBondContact O-N 3.35Å; Y331-K334 PolarHBondContact O-N 3.2Å; Y331-A335 VanDerWaalsContact O-CB 3.29Å; Y331-A335 WeakPolarHBondContact O-CB 3.39Å; Y331-A335 PolarHBondContact O-N 3.08Å; Y331-L349 HydrophobicContact CD2-CD2 4.12Å; Y331-L349 HydrophobicContact CG-CD2 4.34Å
332L91.7Very high89Confident10 Ų1062.2 Ų62.25%0.05230%0.295CS..Hα-helixtrans-64.2-45.4179.7-174.760.1000111.4L328 R329 K334 A335 E336 F346 L349 L350 Y353L328-L332 WeakPolarHBondContact O-CB 3.32Å; L328-L332 PolarHBondContact O-N 3.44Å; R329-L332 PolarHBondContact O-N 2.52Å; L332-K334 VanDerWaalsContact C-N 3.31Å; L332-K334 PolarHBondContact O-N 3.03Å; L332-A335 CarbonylContact O-C 3.58Å; L332-A335 WeakPolarHBondContact O-CA 3.47Å; L332-A335 WeakPolarHBondContact O-CB 3.14Å; L332-A335 PolarHBondContact O-N 3.18Å; L332-A335 VanDerWaalsContact O-N 3.08Å; L332-E336 WeakPolarHBondContact O-CG 3.1Å; L332-E336 PolarHBondContact O-N 3.25Å; L332-F346 HydrophobicContact CD1-CD2 4.02Å; L332-F346 HydrophobicContact CD1-CE2 3.67Å; L332-L349 HydrophobicContact CD1-CB 4.24Å; L332-L350 HydrophobicContact CD1-CB 4.26Å; L332-L350 HydrophobicContact CD1-CD1 4.3Å; L332-L350 HydrophobicContact CD2-CD1 4.16Å; L332-Y353 HydrophobicContact CD2-CD1 3.71Å; L332-Y353 HydrophobicContact CD2-CD2 4.35Å; L332-Y353 HydrophobicContact CD2-CE1 4.17Å; L332-Y353 HydrophobicContact CD2-CG 3.8Å
333E93.8Very high90.3Very high80 Ų8058.7 Ų58.737%0.37427%0.265SS..Hα-helixtrans-60.4-39.6177.3-73.7-178168.100112.8R329 K337R329-E333 IonicContact CZ-OE1 2.75Å; R329-E333 IonicContact NH1-OE1 3.14Å; R329-E333 PolarHBondContact NH1-OE1 3.28Å; R329-E333 IonicContact NH1-OE2 2.67Å; R329-E333 PolarHBondContact NH1-OE2 2.83Å; R329-E333 WeakPolarHBondContact O-CG 3.11Å; R329-E333 PolarHBondContact O-N 3.01Å; E333-K337 WeakPolarHBondContact O-CG 3.42Å; E333-K337 PolarHBondContact O-N 2.79Å
334K96Very high91Very high87 Ų8753 Ų5338%0.37824%0.235SC..Hα-helixtrans-69.1-40.6174.1-174.7163.9-178.8173.10111.2F308 I330 Y331 L332 K337 L338F308-K334 HydrophobicContact CD2-CD 3.61Å; F308-K334 HydrophobicContact CD2-CG 3.96Å; F308-K334 HydrophobicContact CE2-CB 4Å; F308-K334 HydrophobicContact CE2-CD 3.78Å; F308-K334 HydrophobicContact CE2-CG 3.85Å; F308-K334 HydrophobicContact CG-CD 4.28Å; F308-K334 HydrophobicContact CG-CG 4.36Å; F308-K334 HydrophobicContact CZ-CB 4.1Å; F308-K334 HydrophobicContact CZ-CG 4.17Å; I330-K334 PolarHBondContact O-N 3.3Å; I330-K334 VanDerWaalsContact O-N 3.16Å; Y331-K334 PolarHBondContact O-N 3.2Å; L332-K334 VanDerWaalsContact C-N 3.31Å; L332-K334 PolarHBondContact O-N 3.03Å; K334-K337 PolarHBondContact O-N 2.85Å; K334-L338 HydrophobicContact CD-CD1 4.39Å; K334-L338 HydrophobicContact CG-CD1 3.82Å; K334-L338 HydrophobicContact CG-CG 4.5Å; K334-L338 PolarHBondContact O-N 3.13Å; K334-L338 VanDerWaalsContact O-N 3.13Å
335A95.7Very high91.7Very high0 Ų052.4 Ų52.40%023%0.23CC..Hα-helixtrans-62.5-41.5176.900000112.1F308 Y331 L332 K337 L338 L339 F346 L349F308-A335 HydrophobicContact CE1-CB 3.8Å; F308-A335 HydrophobicContact CZ-CB 4.07Å; Y331-A335 VanDerWaalsContact O-CB 3.29Å; Y331-A335 WeakPolarHBondContact O-CB 3.39Å; Y331-A335 PolarHBondContact O-N 3.08Å; L332-A335 CarbonylContact O-C 3.58Å; L332-A335 WeakPolarHBondContact O-CA 3.47Å; L332-A335 WeakPolarHBondContact O-CB 3.14Å; L332-A335 PolarHBondContact O-N 3.18Å; L332-A335 VanDerWaalsContact O-N 3.08Å; A335-K337 PolarHBondContact O-N 2.98Å; A335-L338 PolarHBondContact O-N 3.32Å; A335-L339 HydrophobicContact CB-CD1 4.06Å; A335-L339 HydrophobicContact CB-CG 4.38Å; A335-L339 WeakPolarHBondContact O-CA 3.49Å; A335-L339 WeakPolarHBondContact O-CB 3.23Å; A335-L339 PolarHBondContact O-N 3.42Å; A335-F346 HydrophobicContact CB-CD2 3.92Å; A335-L349 HydrophobicContact CB-CD1 3.79Å
336E93.6Very high92.3Very high96 Ų9650 Ų5045%0.44922%0.22SC..Hα-helixtrans-61.2-32.7176.9-75-178.9173.800113.2R266 L332 F346R266-E336 WeakPolarHBondContact CD-O 3.46Å; R266-E336 PolarHBondContact NH1-O 3.06Å; L332-E336 WeakPolarHBondContact O-CG 3.1Å; L332-E336 PolarHBondContact O-N 3.25Å; E336-F346 HydrophobicContact CG-CD2 4.42Å; E336-F346 HydrophobicContact CG-CE2 3.55Å; E336-F346 HydrophobicContact CG-CZ 4.31Å
337K94.7Very high92.5Very high134 Ų13446.1 Ų46.158%0.58320%0.202SC*.Hα-helixtrans-77.3-35.3177.9-67.8171.5-172.2173.90112.2R270 E333 K334 A335R270-K337 VanDerWaalsContact CZ-O 3.25Å; R270-K337 PolarHBondContact NH1-O 3.1Å; R270-K337 PolarHBondContact NH2-O 3.29Å; R270-K337 VanDerWaalsContact NH2-O 3.12Å; E333-K337 WeakPolarHBondContact O-CG 3.42Å; E333-K337 PolarHBondContact O-N 2.79Å; K334-K337 PolarHBondContact O-N 2.85Å; A335-K337 PolarHBondContact O-N 2.98Å
338L97.1Very high92.5Very high6 Ų641.5 Ų41.53%0.03118%0.184CC..Hα-helixtrans-102.1-48.1-171.3-64.9178000113.8I265 R266 L301 E304 F308 K334 A335I265-L338 WeakPolarHBondContact CB-O 3.39Å; R266-L338 PolarHBondContact N-O 3.48Å; L301-L338 HydrophobicContact CD1-CD2 3.84Å; E304-L338 HydrophobicContact CG-CD1 4.01Å; E304-L338 HydrophobicContact CG-CD2 4.36Å; F308-L338 HydrophobicContact CB-CD1 4.22Å; F308-L338 HydrophobicContact CD1-CD1 4.35Å; F308-L338 HydrophobicContact CG-CD1 4.31Å; K334-L338 HydrophobicContact CD-CD1 4.39Å; K334-L338 HydrophobicContact CG-CD1 3.82Å; K334-L338 HydrophobicContact CG-CG 4.5Å; K334-L338 PolarHBondContact O-N 3.13Å; K334-L338 VanDerWaalsContact O-N 3.13Å; A335-L338 PolarHBondContact O-N 3.32Å
339L96.7Very high92.6Very high3 Ų341 Ų412%0.01618%0.182CC..BIsolated β-bridgetrans-95.9142.3-164.9-51.6-173.7000111.5I265 R266 A305 F308 M309 A335 N343 F346I265-L339 HydrophobicContact CG2-CD2 4.08Å; R266-L339 VanDerWaalsContact CG-O 3.26Å; R266-L339 WeakPolarHBondContact CG-O 3.34Å; A305-L339 HydrophobicContact CB-CD2 4.22Å; F308-L339 HydrophobicContact CD1-CD1 4.01Å; F308-L339 HydrophobicContact CD1-CD2 4.37Å; F308-L339 HydrophobicContact CD1-CG 4.26Å; F308-L339 HydrophobicContact CE1-CD1 3.75Å; F308-L339 HydrophobicContact CE1-CG 4.23Å; M309-L339 HydrophobicContact CG-CD1 4.19Å; M309-L339 HydrophobicContact CG-CD2 3.99Å; M309-L339 HydrophobicContact SD-CD2 4.14Å; A335-L339 HydrophobicContact CB-CD1 4.06Å; A335-L339 HydrophobicContact CB-CG 4.38Å; A335-L339 WeakPolarHBondContact O-CA 3.49Å; A335-L339 WeakPolarHBondContact O-CB 3.23Å; A335-L339 PolarHBondContact O-N 3.42Å; L339-N343 HydrophobicContact CB-CB 3.87Å; L339-F346 HydrophobicContact CB-CB 4.23Å; L339-F346 HydrophobicContact CD1-CB 4.49Å
340H95Very high92.4Very high10 Ų1037.6 Ų37.65%0.04617%0.169CC..  trans-67.2154.4175.2-173.2-105000110.4A264 S273 P275 E342 N343A264-H340 HydrophobicContact CB-CB 4.23Å; A264-H340 WeakPolarHBondContact O-CB 3.35Å; A264-H340 PolarHBondContact O-N 3.09Å; A264-H340 VanDerWaalsContact O-N 3.16Å; S273-H340 PolarHBondContact O-NE2 3.08Å; S273-H340 VanDerWaalsContact O-NE2 3.11Å; P275-H340 HydrophobicContact CB-CB 4.36Å; H340-E342 IonicContact CE1-OE1 2.84Å; H340-E342 WeakPolarHBondContact ND1-CB 3.29Å; H340-E342 PolarHBondContact ND1-N 2.92Å; H340-E342 VanDerWaalsContact ND1-N 3.16Å; H340-E342 PolarHBondContact O-N 3.41Å; H340-N343 WeakPolarHBondContact O-CB 3.48Å; H340-N343 PolarHBondContact O-N 2.92Å
341K89.5Confident92Very high120 Ų12034.4 Ų34.452%0.52215%0.154SC..THydrogen-bonded Turntrans-61.5-17.1178.166.5-179.9179.1-177.40114.6F346 N376K341-F346 HydrophobicContact CB-CE1 4.24Å; K341-N376 PolarHBondContact O-ND2 3.46Å; K341-N376 VanDerWaalsContact O-ND2 3.12Å
342E88.9Confident91.5Very high30 Ų3032 Ų3214%0.1415%0.146CC..THydrogen-bonded Turntrans-89.5-4.4173.8-62.3-179.2-155.600113.2R261 H340 I344 N376 K379R261-E342 IonicContact CZ-OE2 3.52Å; R261-E342 IonicContact NE-OE2 3.56Å; R261-E342 PolarHBondContact NE-OE2 3.45Å; R261-E342 IonicContact NH2-OE1 3.92Å; R261-E342 PolarHBondContact NH2-OE1 3.29Å; R261-E342 IonicContact NH2-OE2 2.86Å; R261-E342 PolarHBondContact NH2-OE2 3Å; H340-E342 IonicContact CE1-OE1 2.84Å; H340-E342 WeakPolarHBondContact ND1-CB 3.29Å; H340-E342 PolarHBondContact ND1-N 2.92Å; H340-E342 VanDerWaalsContact ND1-N 3.16Å; H340-E342 PolarHBondContact O-N 3.41Å; E342-I344 PolarHBondContact O-N 3.13Å; E342-N376 VanDerWaalsContact CA-OD1 3.27Å; E342-N376 WeakPolarHBondContact CA-OD1 3.46Å; E342-N376 PolarHBondContact O-OD1 3.39Å; E342-K379 IonicContact OE1-NZ 3.41Å; E342-K379 IonicContact OE2-NZ 3.63Å; E342-K379 PolarHBondContact OE2-NZ 3.35Å
343N94Very high90.9Very high0 Ų033.5 Ų33.50%015%0.152CC..  trans-69.1129.1179.4-173-62.2000110.1L262 T263 A264 M309 L339 H340 Y345 F346 C347L262-N343 CarbonylContact O-C 3.5Å; L262-N343 VanDerWaalsContact O-CA 3.29Å; L262-N343 WeakPolarHBondContact O-CA 3.26Å; T263-N343 VanDerWaalsContact C-ND2 3.32Å; T263-N343 PolarHBondContact O-ND2 3.45Å; A264-N343 WeakPolarHBondContact O-CB 3.29Å; A264-N343 PolarHBondContact O-ND2 3.46Å; M309-N343 PolarHBondContact SD-ND2 3.24Å; L339-N343 HydrophobicContact CB-CB 3.87Å; H340-N343 WeakPolarHBondContact O-CB 3.48Å; H340-N343 PolarHBondContact O-N 2.92Å; N343-Y345 VanDerWaalsContact C-N 3.29Å; N343-Y345 PolarHBondContact O-N 3.18Å; N343-Y345 WeakPolarHBondContact OD1-CB 3.33Å; N343-Y345 WeakPolarHBondContact OD1-CD2 3.22Å; N343-Y345 PolarHBondContact OD1-N 3.06Å; N343-F346 HydrophobicContact CB-CB 4.17Å; N343-F346 WeakPolarHBondContact O-CB 2.8Å; N343-F346 PolarHBondContact O-N 3.3Å; N343-C347 PolarHBondContact O-N 3.04Å; N343-C347 PolarHBondContact O-SG 3.41Å
344I92.3Very high90Very high1 Ų130.2 Ų30.21%0.00514%0.136CC..Hα-helixtrans-64.4-32.1-174.9-166.359.6000112.8G231 L262 E342 C347 R348G231-I344 WeakPolarHBondContact O-CD1 3.14Å; G231-I344 WeakPolarHBondContact O-CG1 3.44Å; L262-I344 HydrophobicContact CB-CB 4.26Å; L262-I344 HydrophobicContact CB-CG2 4.32Å; L262-I344 WeakPolarHBondContact O-CG2 3.36Å; L262-I344 PolarHBondContact O-N 3.09Å; E342-I344 PolarHBondContact O-N 3.13Å; I344-C347 PolarHBondContact O-N 2.95Å; I344-R348 HydrophobicContact CG1-CG 4.49Å; I344-R348 WeakPolarHBondContact O-CB 3.41Å; I344-R348 VanDerWaalsContact O-CG 3.26Å; I344-R348 WeakPolarHBondContact O-CG 3.35Å; I344-R348 PolarHBondContact O-N 3.11Å
345Y94Very high88.9Confident5 Ų531.4 Ų31.42%0.0214%0.143CC..Hα-helixtrans-66.6-45.4175.1-64.7-89.5000111.2S233 Q236 T263 E280 M309 L312 N343 C347 R348 L349S233-Y345 PolarHBondContact OG-OH 3.5Å; Q236-Y345 HydrophobicContact CG-CE1 4.13Å; Q236-Y345 WeakPolarHBondContact CG-OH 3.25Å; Q236-Y345 PolarHBondContact NE2-OH 3.12Å; T263-Y345 HydrophobicContact CG2-CE2 4.16Å; E280-Y345 HydrophobicContact CG-CE2 4.34Å; E280-Y345 WeakPolarHBondContact OE1-CE2 3.24Å; E280-Y345 VanDerWaalsContact OE1-CZ 3.31Å; E280-Y345 PolarHBondContact OE1-OH 2.92Å; M309-Y345 HydrophobicContact CB-CD2 4.04Å; M309-Y345 HydrophobicContact CB-CE1 4.29Å; M309-Y345 HydrophobicContact CB-CE2 3.76Å; M309-Y345 HydrophobicContact CB-CG 4.41Å; M309-Y345 HydrophobicContact CG-CD2 3.6Å; M309-Y345 HydrophobicContact CG-CE2 3.77Å; M309-Y345 HydrophobicContact CG-CG 4.06Å; M309-Y345 VanDerWaalsContact O-CE1 3.3Å; M309-Y345 WeakPolarHBondContact O-CE1 3.44Å; M309-Y345 HydrophobicContact SD-CD2 3.53Å; M309-Y345 VanDerWaalsContact SD-CD2 3.53Å; M309-Y345 HydrophobicContact SD-CE2 3.6Å; M309-Y345 VanDerWaalsContact SD-CE2 3.6Å; L312-Y345 HydrophobicContact CB-CD1 4.41Å; L312-Y345 HydrophobicContact CD1-CD1 3.67Å; L312-Y345 HydrophobicContact CD1-CG 4.09Å; N343-Y345 VanDerWaalsContact C-N 3.29Å; N343-Y345 PolarHBondContact O-N 3.18Å; N343-Y345 WeakPolarHBondContact OD1-CB 3.33Å; N343-Y345 WeakPolarHBondContact OD1-CD2 3.22Å; N343-Y345 PolarHBondContact OD1-N 3.06Å; Y345-C347 VanDerWaalsContact C-N 3.31Å; Y345-C347 PolarHBondContact O-N 3.42Å; Y345-R348 PolarHBondContact O-N 3.21Å; Y345-L349 WeakPolarHBondContact O-CB 3.36Å; Y345-L349 WeakPolarHBondContact O-CG 3.31Å; Y345-L349 PolarHBondContact O-N 3.42Å
346F92.1Very high87.7Confident21 Ų2132.1 Ų32.19%0.09215%0.147CC..Hα-helixtrans-58-46.2174.2174.2-101.5000110.9L332 A335 E336 L339 K341 N343 R348 L349 L350L332-F346 HydrophobicContact CD1-CD2 4.02Å; L332-F346 HydrophobicContact CD1-CE2 3.67Å; A335-F346 HydrophobicContact CB-CD2 3.92Å; E336-F346 HydrophobicContact CG-CD2 4.42Å; E336-F346 HydrophobicContact CG-CE2 3.55Å; E336-F346 HydrophobicContact CG-CZ 4.31Å; L339-F346 HydrophobicContact CB-CB 4.23Å; L339-F346 HydrophobicContact CD1-CB 4.49Å; K341-F346 HydrophobicContact CB-CE1 4.24Å; N343-F346 HydrophobicContact CB-CB 4.17Å; N343-F346 WeakPolarHBondContact O-CB 2.8Å; N343-F346 PolarHBondContact O-N 3.3Å; F346-R348 PolarHBondContact O-N 3.04Å; F346-L349 PolarHBondContact O-N 3.02Å; F346-L350 HydrophobicContact CE1-CD2 4Å; F346-L350 HydrophobicContact CZ-CD2 4.18Å; F346-L350 WeakPolarHBondContact O-CB 3.47Å; F346-L350 PolarHBondContact O-N 2.86Å
347C88.4Confident86.3Confident3 Ų329.2 Ų29.22%0.0214%0.135CC..Hα-helixtrans-61-45.1179.1-61.20000112.7N343 I344 Y345 L350 T351 N376N343-C347 PolarHBondContact O-N 3.04Å; N343-C347 PolarHBondContact O-SG 3.41Å; I344-C347 PolarHBondContact O-N 2.95Å; Y345-C347 VanDerWaalsContact C-N 3.31Å; Y345-C347 PolarHBondContact O-N 3.42Å; C347-L350 PolarHBondContact O-N 3.04Å; C347-T351 PolarHBondContact O-N 2.84Å; C347-T351 PolarHBondContact O-OG1 3.49Å; C347-T351 VanDerWaalsContact O-OG1 3.06Å; C347-N376 HydrophobicContact CB-CB 4.49Å; C347-N376 PolarHBondContact SG-ND2 3.27Å
348R88.8Confident84.2Confident28 Ų2825.1 Ų25.111%0.10613%0.13CC..Hα-helixtrans-67.6-42.6180-69.9175.782.7-145.31111.9D229 G231 S314 F316 I344 Y345 F346 L350 T351 S352D229-R348 IonicContact OD2-CZ 3.78Å; D229-R348 IonicContact OD2-NE 2.78Å; D229-R348 IonicContact OD2-NH2 2.83Å; D229-R348 PolarHBondContact OD2-NH2 2.96Å; G231-R348 WeakPolarHBondContact O-CD 3.26Å; S314-R348 PolarHBondContact O-NH1 3.08Å; S314-R348 VanDerWaalsContact O-NH1 3.11Å; S314-R348 PolarHBondContact O-NH2 3.35Å; F316-R348 HydrophobicContact CD2-CB 3.98Å; F316-R348 HydrophobicContact CE2-CB 3.73Å; I344-R348 HydrophobicContact CG1-CG 4.49Å; I344-R348 WeakPolarHBondContact O-CB 3.41Å; I344-R348 VanDerWaalsContact O-CG 3.26Å; I344-R348 WeakPolarHBondContact O-CG 3.35Å; I344-R348 PolarHBondContact O-N 3.11Å; Y345-R348 PolarHBondContact O-N 3.21Å; F346-R348 PolarHBondContact O-N 3.04Å; R348-L350 VanDerWaalsContact C-N 3.3Å; R348-L350 PolarHBondContact O-N 3Å; R348-T351 PolarHBondContact O-N 3.41Å; R348-S352 WeakPolarHBondContact O-CB 3.31Å; R348-S352 PolarHBondContact O-N 3.24Å; R348-S352 PolarHBondContact O-OG 3.34Å
349L89.2Confident81.7Confident1 Ų128.3 Ų28.31%0.00517%0.165CC..Hα-helixtrans-57.3-47.8173.8-78.1169000110.5F308 L312 F316 L328 Y331 L332 A335 Y345 F346 S352 Y353F308-L349 HydrophobicContact CZ-CD1 4.39Å; L312-L349 HydrophobicContact CD1-CD1 4.05Å; L312-L349 HydrophobicContact CD2-CD1 4.23Å; L312-L349 HydrophobicContact CD2-CD2 4.38Å; F316-L349 HydrophobicContact CD1-CD2 3.69Å; F316-L349 HydrophobicContact CE1-CD2 3.35Å; F316-L349 HydrophobicContact CE1-CG 4.06Å; F316-L349 HydrophobicContact CE2-CD2 4.45Å; F316-L349 HydrophobicContact CE2-CG 4.42Å; F316-L349 HydrophobicContact CG-CD2 4.36Å; F316-L349 HydrophobicContact CZ-CD2 3.79Å; F316-L349 HydrophobicContact CZ-CG 3.96Å; L328-L349 HydrophobicContact CD2-CD2 3.8Å; Y331-L349 HydrophobicContact CD2-CD2 4.12Å; Y331-L349 HydrophobicContact CG-CD2 4.34Å; L332-L349 HydrophobicContact CD1-CB 4.24Å; A335-L349 HydrophobicContact CB-CD1 3.79Å; Y345-L349 WeakPolarHBondContact O-CB 3.36Å; Y345-L349 WeakPolarHBondContact O-CG 3.31Å; Y345-L349 PolarHBondContact O-N 3.42Å; F346-L349 PolarHBondContact O-N 3.02Å; L349-S352 PolarHBondContact O-N 3.04Å; L349-Y353 VanDerWaalsContact O-CB 3.29Å; L349-Y353 WeakPolarHBondContact O-CB 3.38Å; L349-Y353 PolarHBondContact O-N 3.1Å
350L84.6Confident79.2Confident7 Ų733.7 Ų33.74%0.03719%0.193CC..Hα-helixtrans-62-48.6179.3-176.861.8000112.5L332 F346 C347 R348 S352 Y353 L354 L369 V373L332-L350 HydrophobicContact CD1-CB 4.26Å; L332-L350 HydrophobicContact CD1-CD1 4.3Å; L332-L350 HydrophobicContact CD2-CD1 4.16Å; F346-L350 HydrophobicContact CE1-CD2 4Å; F346-L350 HydrophobicContact CZ-CD2 4.18Å; F346-L350 WeakPolarHBondContact O-CB 3.47Å; F346-L350 PolarHBondContact O-N 2.86Å; C347-L350 PolarHBondContact O-N 3.04Å; R348-L350 VanDerWaalsContact C-N 3.3Å; R348-L350 PolarHBondContact O-N 3Å; L350-S352 VanDerWaalsContact C-N 3.29Å; L350-S352 PolarHBondContact O-N 3.03Å; L350-Y353 PolarHBondContact O-N 2.89Å; L350-L354 HydrophobicContact CG-CD1 4.36Å; L350-L354 VanDerWaalsContact O-CG 3.23Å; L350-L354 WeakPolarHBondContact O-CG 3.23Å; L350-L354 PolarHBondContact O-N 2.85Å; L350-L369 HydrophobicContact CD1-CD1 3.82Å; L350-L369 HydrophobicContact CD1-CD2 3.86Å; L350-L369 HydrophobicContact CD1-CG 4.1Å; L350-L369 HydrophobicContact CD2-CD1 3.21Å; L350-L369 HydrophobicContact CD2-CD2 4.41Å; L350-L369 HydrophobicContact CD2-CG 3.7Å; L350-L369 HydrophobicContact CG-CD1 3.91Å; L350-L369 HydrophobicContact CG-CD2 4.25Å; L350-L369 HydrophobicContact CG-CG 4.05Å; L350-V373 HydrophobicContact CD2-CG2 4.31Å
351T81.4Confident77.3Confident18 Ų1840.8 Ų40.811%0.1123%0.226CC..Hα-helixtrans-59-42.2176.2-60.20000111.5C347 R348 L354 Q355C347-T351 PolarHBondContact O-N 2.84Å; C347-T351 PolarHBondContact O-OG1 3.49Å; C347-T351 VanDerWaalsContact O-OG1 3.06Å; R348-T351 PolarHBondContact O-N 3.41Å; T351-L354 PolarHBondContact O-N 3.4Å; T351-Q355 WeakPolarHBondContact O-CG 3.49Å; T351-Q355 PolarHBondContact O-N 3.45Å
352S83.2Confident75.7Confident12 Ų1242.9 Ų42.98%0.08424%0.238CC..Hα-helixtrans-69.2-41-178.7-49.40000111.6F316 R348 L349 L350 L354 Q355 I356F316-S352 VanDerWaalsContact CB-OG 3.26Å; F316-S352 WeakPolarHBondContact CB-OG 3.38Å; R348-S352 WeakPolarHBondContact O-CB 3.31Å; R348-S352 PolarHBondContact O-N 3.24Å; R348-S352 PolarHBondContact O-OG 3.34Å; L349-S352 PolarHBondContact O-N 3.04Å; L350-S352 VanDerWaalsContact C-N 3.29Å; L350-S352 PolarHBondContact O-N 3.03Å; S352-L354 PolarHBondContact O-N 3.17Å; S352-Q355 PolarHBondContact O-N 3.3Å; S352-I356 WeakPolarHBondContact O-CG1 3.43Å; S352-I356 PolarHBondContact O-N 3.07Å; S352-I356 VanDerWaalsContact O-N 3.15Å
353Y79.5Confident74.2Confident42 Ų4244.6 Ų44.617%0.16525%0.246CC..Hα-helixtrans-60.2-44174.1-176.4-102.5000111.5L328 R329 L332 L349 L350 Q355 I356 N357 E363L328-Y353 HydrophobicContact CB-CD2 4.5Å; R329-Y353 HydrophobicContact CB-CE2 4.06Å; R329-Y353 HydrophobicContact CG-CE2 4.32Å; L332-Y353 HydrophobicContact CD2-CD1 3.71Å; L332-Y353 HydrophobicContact CD2-CD2 4.35Å; L332-Y353 HydrophobicContact CD2-CE1 4.17Å; L332-Y353 HydrophobicContact CD2-CG 3.8Å; L349-Y353 VanDerWaalsContact O-CB 3.29Å; L349-Y353 WeakPolarHBondContact O-CB 3.38Å; L349-Y353 PolarHBondContact O-N 3.1Å; L350-Y353 PolarHBondContact O-N 2.89Å; Y353-Q355 VanDerWaalsContact C-N 3.34Å; Y353-Q355 PolarHBondContact O-N 3.1Å; Y353-I356 PolarHBondContact O-N 2.91Å; Y353-N357 WeakPolarHBondContact CE1-ND2 3.49Å; Y353-N357 WeakPolarHBondContact CE2-ND2 3.21Å; Y353-N357 WeakPolarHBondContact O-CB 3.3Å; Y353-N357 PolarHBondContact O-N 3.44Å; Y353-N357 PolarHBondContact OH-ND2 3.35Å; Y353-N357 VanDerWaalsContact OH-ND2 3.08Å; Y353-E363 WeakPolarHBondContact CE1-OE2 3.49Å
354L75Confident72.5Confident10 Ų1047 Ų475%0.05226%0.258CS..Hα-helixtrans-64.4-34.1176.2-69.3172.1000113.8L350 T351 S352 E363 L369L350-L354 HydrophobicContact CG-CD1 4.36Å; L350-L354 VanDerWaalsContact O-CG 3.23Å; L350-L354 WeakPolarHBondContact O-CG 3.23Å; L350-L354 PolarHBondContact O-N 2.85Å; T351-L354 PolarHBondContact O-N 3.4Å; S352-L354 PolarHBondContact O-N 3.17Å; L354-E363 HydrophobicContact CD2-CB 3.79Å; L354-L369 HydrophobicContact CD1-CD2 3.56Å; L354-L369 HydrophobicContact CD1-CG 4.08Å; L354-L369 HydrophobicContact CD2-CD2 3.59Å; L354-L369 HydrophobicContact CG-CD2 3.98Å
355Q73.2Confident71.2Confident112 Ų11248 Ų4852%0.52326%0.264SS..Hα-helixtrans-68.6-39.8176.7-76175.3-17.200111.7P318 T351 S352 Y353P318-Q355 HydrophobicContact CG-CB 4.09Å; T351-Q355 WeakPolarHBondContact O-CG 3.49Å; T351-Q355 PolarHBondContact O-N 3.45Å; S352-Q355 PolarHBondContact O-N 3.3Å; Y353-Q355 VanDerWaalsContact C-N 3.34Å; Y353-Q355 PolarHBondContact O-N 3.1Å
356I70.4Confident70.5Confident16 Ų1650.8 Ų50.88%0.08228%0.279CS..Hα-helixtrans-74.8-38.6-179.7-67168.2000112P318 K325 L328 S352 Y353 G358P318-I356 HydrophobicContact CB-CD1 4.07Å; P318-I356 HydrophobicContact CB-CG1 3.38Å; P318-I356 HydrophobicContact CG-CD1 4.45Å; P318-I356 HydrophobicContact CG-CG1 3.9Å; K325-I356 HydrophobicContact CD-CG2 3.79Å; K325-I356 HydrophobicContact CG-CG2 3.24Å; L328-I356 HydrophobicContact CD1-CD1 3.03Å; L328-I356 HydrophobicContact CD1-CG1 4.49Å; L328-I356 HydrophobicContact CG-CD1 4.46Å; S352-I356 WeakPolarHBondContact O-CG1 3.43Å; S352-I356 PolarHBondContact O-N 3.07Å; S352-I356 VanDerWaalsContact O-N 3.15Å; Y353-I356 PolarHBondContact O-N 2.91Å; I356-G358 PolarHBondContact O-N 3.21Å; I356-G358 VanDerWaalsContact O-N 3.12Å
357N63.3Low70.2Confident35 Ų3550 Ų5019%0.18728%0.276CS..THydrogen-bonded Turntrans-77.916.5177.1-77.6-6.1000113.5Y353 G359 L360 E363Y353-N357 WeakPolarHBondContact CE1-ND2 3.49Å; Y353-N357 WeakPolarHBondContact CE2-ND2 3.21Å; Y353-N357 WeakPolarHBondContact O-CB 3.3Å; Y353-N357 PolarHBondContact O-N 3.44Å; Y353-N357 PolarHBondContact OH-ND2 3.35Å; Y353-N357 VanDerWaalsContact OH-ND2 3.08Å; N357-G359 PolarHBondContact O-N 2.89Å; N357-L360 PolarHBondContact O-N 3.46Å; N357-E363 PolarHBondContact ND2-OE2 3.14Å; N357-E363 VanDerWaalsContact ND2-OE2 3.08Å
358G50.9Low70Confident47 Ų4755.6 Ų55.649%0.48530%0.302SS..THydrogen-bonded Turntrans-59.614.317700000116.6I356 M364I356-G358 PolarHBondContact O-N 3.21Å; I356-G358 VanDerWaalsContact O-N 3.12Å; G358-M364 VanDerWaalsContact CA-SD 3.57Å
359G46.2Very low69.6Low74 Ų7456 Ų5676%0.76331%0.306SS*.THydrogen-bonded Turntrans-102.5-9168.400000115.2N357N357-G359 PolarHBondContact O-N 2.89Å
360L43.6Very low69.4Low116 Ų11656.3 Ų56.361%0.60731%0.307SS*.  trans-114.399.4170.2-72.3168.6000108.6N357 Q362 E363N357-L360 PolarHBondContact O-N 3.46Å; L360-Q362 PolarHBondContact O-N 3.36Å; L360-E363 PolarHBondContact O-N 2.72Å
361E55.1Low69.7Low159 Ų15958.2 Ų58.274%0.74332%0.315SS*.Hα-helixtrans-48.6-20-179.7-69.7-177.4142.300114.5T365E361-T365 WeakPolarHBondContact O-CB 3.27Å; E361-T365 WeakPolarHBondContact O-CG2 3.26Å; E361-T365 PolarHBondContact O-N 3.3Å; E361-T365 PolarHBondContact O-OG1 3.36Å
362Q55.9Low69.8Low163 Ų16358.5 Ų58.576%0.76232%0.318SS*.Hα-helixtrans-67.9-41.9-177.2-65.6-176.9-3.200114.3L360 T365L360-Q362 PolarHBondContact O-N 3.36Å; Q362-T365 PolarHBondContact O-OG1 2.95Å
363E56Low69.9Low67 Ų6758 Ų5831%0.31331%0.314SS..Hα-helixtrans-79.6-42-177-70.6-167.7158.800112.2Y353 L354 N357 L360 T365 N366Y353-E363 WeakPolarHBondContact CE1-OE2 3.49Å; L354-E363 HydrophobicContact CD2-CB 3.79Å; N357-E363 PolarHBondContact ND2-OE2 3.14Å; N357-E363 VanDerWaalsContact ND2-OE2 3.08Å; L360-E363 PolarHBondContact O-N 2.72Å; E363-T365 PolarHBondContact O-N 3.5Å; E363-T365 VanDerWaalsContact O-N 3.15Å; E363-N366 WeakPolarHBondContact O-CB 3.24Å; E363-N366 PolarHBondContact O-N 2.89Å
364M58.7Low70.5Confident51 Ų5156.7 Ų56.725%0.25131%0.309SS..Hα-helixtrans-58.6-29.4175.9-71.3-17276.400112.1G358 Q370 S398G358-M364 VanDerWaalsContact CA-SD 3.57Å; M364-Q370 PolarHBondContact O-NE2 3.23Å; M364-S398 PolarHBondContact O-OG 3.4Å
365T65.2Low71.2Confident22 Ų2260.2 Ų60.214%0.13533%0.328CS..THydrogen-bonded Turntrans-91.68.6177.960.60000113.7E361 Q362 E363 L367 S398 V401 R402E361-T365 WeakPolarHBondContact O-CB 3.27Å; E361-T365 WeakPolarHBondContact O-CG2 3.26Å; E361-T365 PolarHBondContact O-N 3.3Å; E361-T365 PolarHBondContact O-OG1 3.36Å; Q362-T365 PolarHBondContact O-OG1 2.95Å; E363-T365 PolarHBondContact O-N 3.5Å; E363-T365 VanDerWaalsContact O-N 3.15Å; T365-L367 PolarHBondContact O-N 3.27Å; T365-S398 WeakPolarHBondContact CA-OG 3.3Å; T365-V401 HydrophobicContact CG2-CB 4.18Å; T365-V401 HydrophobicContact CG2-CG1 4.12Å; T365-V401 HydrophobicContact CG2-CG2 4.18Å; T365-R402 VanDerWaalsContact O-CZ 3.29Å; T365-R402 PolarHBondContact O-NE 3.19Å; T365-R402 VanDerWaalsContact O-NE 3.12Å; T365-R402 PolarHBondContact O-NH2 2.68Å
366N80.1Confident71.8Confident63 Ų6355 Ų5534%0.33730%0.304SS..  trans-70.593.9174.5-170.6-26.1000111E363 E368 L369 Q370E363-N366 WeakPolarHBondContact O-CB 3.24Å; E363-N366 PolarHBondContact O-N 2.89Å; N366-E368 VanDerWaalsContact C-N 3.31Å; N366-E368 PolarHBondContact O-N 2.85Å; N366-E368 PolarHBondContact OD1-N 3.44Å; N366-L369 HydrophobicContact CB-CB 3.87Å; N366-L369 HydrophobicContact CB-CD2 4.32Å; N366-L369 VanDerWaalsContact O-CB 3.3Å; N366-L369 WeakPolarHBondContact O-CB 3.13Å; N366-L369 PolarHBondContact O-N 3.27Å; N366-L369 VanDerWaalsContact O-N 3.14Å; N366-L369 PolarHBondContact OD1-N 3.48Å; N366-Q370 WeakPolarHBondContact O-CG 3.38Å; N366-Q370 PolarHBondContact O-N 3.12Å
367L85.6Confident72.7Confident5 Ų555.9 Ų55.93%0.02631%0.306CS..Hα-helixtrans-56.5-39.6-175.5-177.862000113.9T365 L369 Q370 K371 I395 L399 R402T365-L367 PolarHBondContact O-N 3.27Å; L367-L369 VanDerWaalsContact C-N 3.31Å; L367-Q370 PolarHBondContact O-N 3.11Å; L367-K371 HydrophobicContact CD1-CG 4.46Å; L367-K371 HydrophobicContact CG-CD 4.26Å; L367-K371 WeakPolarHBondContact O-CB 3.45Å; L367-K371 VanDerWaalsContact O-CG 3.29Å; L367-K371 WeakPolarHBondContact O-CG 3.3Å; L367-K371 PolarHBondContact O-N 2.93Å; L367-I395 HydrophobicContact CD1-CG2 3.83Å; L367-L399 HydrophobicContact CD1-CD2 4.01Å; L367-L399 HydrophobicContact CD1-CG 3.95Å; L367-L399 HydrophobicContact CD2-CD2 3.65Å; L367-L399 HydrophobicContact CD2-CG 4.49Å; L367-R402 VanDerWaalsContact N-NH2 3.17Å
368E83.9Confident74Confident120 Ų12059.4 Ų59.456%0.56132%0.32SS*.Hα-helixtrans-69.5-35.8-178.5-67.4-51.9121.700111.3N366 K371 S372N366-E368 VanDerWaalsContact C-N 3.31Å; N366-E368 PolarHBondContact O-N 2.85Å; N366-E368 PolarHBondContact OD1-N 3.44Å; E368-K371 PolarHBondContact O-N 3.02Å; E368-K371 IonicContact OE1-NZ 2.74Å; E368-K371 PolarHBondContact OE1-NZ 3.28Å; E368-K371 VanDerWaalsContact OE1-NZ 3.14Å; E368-S372 WeakPolarHBondContact O-CB 3.32Å; E368-S372 PolarHBondContact O-N 3.44Å
369L80.6Confident75.7Confident36 Ų3661.2 Ų61.219%0.18831%0.314CS..Hα-helixtrans-65-48.5174-156.163.3000111.7L350 L354 N366 L367 K371 S372 V373L350-L369 HydrophobicContact CD1-CD1 3.82Å; L350-L369 HydrophobicContact CD1-CD2 3.86Å; L350-L369 HydrophobicContact CD1-CG 4.1Å; L350-L369 HydrophobicContact CD2-CD1 3.21Å; L350-L369 HydrophobicContact CD2-CD2 4.41Å; L350-L369 HydrophobicContact CD2-CG 3.7Å; L350-L369 HydrophobicContact CG-CD1 3.91Å; L350-L369 HydrophobicContact CG-CD2 4.25Å; L350-L369 HydrophobicContact CG-CG 4.05Å; L354-L369 HydrophobicContact CD1-CD2 3.56Å; L354-L369 HydrophobicContact CD1-CG 4.08Å; L354-L369 HydrophobicContact CD2-CD2 3.59Å; L354-L369 HydrophobicContact CG-CD2 3.98Å; N366-L369 HydrophobicContact CB-CB 3.87Å; N366-L369 HydrophobicContact CB-CD2 4.32Å; N366-L369 VanDerWaalsContact O-CB 3.3Å; N366-L369 WeakPolarHBondContact O-CB 3.13Å; N366-L369 PolarHBondContact O-N 3.27Å; N366-L369 VanDerWaalsContact O-N 3.14Å; N366-L369 PolarHBondContact OD1-N 3.48Å; L367-L369 VanDerWaalsContact C-N 3.31Å; L369-K371 VanDerWaalsContact C-N 3.29Å; L369-K371 PolarHBondContact O-N 2.79Å; L369-S372 WeakPolarHBondContact O-CB 3.21Å; L369-S372 PolarHBondContact O-N 2.85Å; L369-S372 VanDerWaalsContact O-N 3.08Å; L369-V373 PolarHBondContact O-N 3Å
370Q86Confident77.7Confident7 Ų757.7 Ų57.73%0.03328%0.278CS..Hα-helixtrans-61.5-37.7178.1-60.6-57.7-1300111.9M364 N366 L367 Y374 Q391 H394 I395M364-Q370 PolarHBondContact O-NE2 3.23Å; N366-Q370 WeakPolarHBondContact O-CG 3.38Å; N366-Q370 PolarHBondContact O-N 3.12Å; L367-Q370 PolarHBondContact O-N 3.11Å; Q370-Y374 WeakPolarHBondContact O-CB 3.47Å; Q370-Y374 PolarHBondContact O-N 2.98Å; Q370-Q391 PolarHBondContact O-NE2 3.27Å; Q370-H394 HydrophobicContact CG-CB 4.36Å; Q370-I395 HydrophobicContact CB-CG1 3.68Å
371K89.5Confident80Confident47 Ų4752.4 Ų52.420%0.20425%0.251CS..Hα-helixtrans-67.2-37.7173.8-75.2173.5-178.4168.90112.3L367 E368 L369 Y374 N375 I395L367-K371 HydrophobicContact CD1-CG 4.46Å; L367-K371 HydrophobicContact CG-CD 4.26Å; L367-K371 WeakPolarHBondContact O-CB 3.45Å; L367-K371 VanDerWaalsContact O-CG 3.29Å; L367-K371 WeakPolarHBondContact O-CG 3.3Å; L367-K371 PolarHBondContact O-N 2.93Å; E368-K371 PolarHBondContact O-N 3.02Å; E368-K371 IonicContact OE1-NZ 2.74Å; E368-K371 PolarHBondContact OE1-NZ 3.28Å; E368-K371 VanDerWaalsContact OE1-NZ 3.14Å; L369-K371 VanDerWaalsContact C-N 3.29Å; L369-K371 PolarHBondContact O-N 2.79Å; K371-Y374 PolarHBondContact O-N 2.82Å; K371-N375 WeakPolarHBondContact O-CB 3.32Å; K371-N375 PolarHBondContact O-N 2.96Å; K371-N375 PolarHBondContact O-ND2 2.7Å; K371-I395 HydrophobicContact CG-CD1 4.28Å
372S84.6Confident81.8Confident25 Ų2545.3 Ų45.318%0.17522%0.218CC..Hα-helixtrans-62.7-47.4176-169.10000111.5E368 L369 N375 N376E368-S372 WeakPolarHBondContact O-CB 3.32Å; E368-S372 PolarHBondContact O-N 3.44Å; L369-S372 WeakPolarHBondContact O-CB 3.21Å; L369-S372 PolarHBondContact O-N 2.85Å; L369-S372 VanDerWaalsContact O-N 3.08Å; S372-N375 PolarHBondContact O-N 3.14Å; S372-N376 PolarHBondContact O-N 2.97Å; S372-N376 VanDerWaalsContact O-N 3.14Å; S372-N376 PolarHBondContact O-ND2 3.4Å
373V85.5Confident83.5Confident1 Ų141.7 Ų41.71%0.00622%0.216CC..Hα-helixtrans-60.1-46.7175.3177.80000111.2L350 L369 N375 N376 Y377 Q391L350-V373 HydrophobicContact CD2-CG2 4.31Å; L369-V373 PolarHBondContact O-N 3Å; V373-N375 PolarHBondContact O-N 3.41Å; V373-N376 PolarHBondContact O-N 3.15Å; V373-N376 VanDerWaalsContact O-N 3.13Å; V373-Y377 HydrophobicContact CG1-CD1 4.37Å; V373-Y377 HydrophobicContact CG1-CD2 4.32Å; V373-Y377 HydrophobicContact CG1-CE1 4.02Å; V373-Y377 HydrophobicContact CG1-CE2 3.97Å; V373-Y377 PolarHBondContact O-N 2.83Å; V373-Q391 HydrophobicContact CB-CG 4.43Å; V373-Q391 HydrophobicContact CG1-CG 4.08Å
374Y91.2Very high85.3Confident14 Ų1438.9 Ų38.96%0.05520%0.204CC..Hα-helixtrans-55.3-47.6175.5171.9-111.8000112.3Q370 K371 N376 Y377 K378 I388 L392 I395 E414Q370-Y374 WeakPolarHBondContact O-CB 3.47Å; Q370-Y374 PolarHBondContact O-N 2.98Å; K371-Y374 PolarHBondContact O-N 2.82Å; Y374-N376 VanDerWaalsContact C-N 3.26Å; Y374-N376 PolarHBondContact O-N 3.18Å; Y374-Y377 PolarHBondContact O-N 2.97Å; Y374-K378 HydrophobicContact CD1-CD 4.3Å; Y374-K378 HydrophobicContact CD2-CG 4.45Å; Y374-K378 HydrophobicContact CE1-CD 3.68Å; Y374-K378 HydrophobicContact CE1-CG 4.47Å; Y374-K378 HydrophobicContact CE2-CD 4.05Å; Y374-K378 HydrophobicContact CE2-CG 4.09Å; Y374-K378 WeakPolarHBondContact O-CG 3.28Å; Y374-K378 PolarHBondContact O-N 3.47Å; Y374-K378 PolarHBondContact OH-NZ 3.31Å; Y374-I388 HydrophobicContact CD2-CG2 4.02Å; Y374-I388 HydrophobicContact CE2-CG2 3.61Å; Y374-L392 HydrophobicContact CD2-CD2 3.91Å; Y374-L392 HydrophobicContact CD2-CG 4Å; Y374-L392 HydrophobicContact CE2-CD1 4.13Å; Y374-L392 HydrophobicContact CE2-CD2 3.42Å; Y374-L392 VanDerWaalsContact CE2-CD2 3.42Å; Y374-L392 HydrophobicContact CE2-CG 3.68Å; Y374-I395 HydrophobicContact CD1-CD1 4.3Å; Y374-I395 HydrophobicContact CG-CD1 4.03Å; Y374-E414 VanDerWaalsContact OH-CD 3.24Å; Y374-E414 PolarHBondContact OH-OE1 3.32Å; Y374-E414 PolarHBondContact OH-OE2 3.3Å; Y374-E414 VanDerWaalsContact OH-OE2 3.12Å
375N89.4Confident86.9Confident85 Ų8537 Ų3746%0.45520%0.196SC..Hα-helixtrans-61.4-33.9178.9-73.9-25.9000112.9K371 S372 V373K371-N375 WeakPolarHBondContact O-CB 3.32Å; K371-N375 PolarHBondContact O-N 2.96Å; K371-N375 PolarHBondContact O-ND2 2.7Å; S372-N375 PolarHBondContact O-N 3.14Å; V373-N375 PolarHBondContact O-N 3.41Å
376N85.6Confident88.2Confident2 Ų238.2 Ų38.21%0.01120%0.198CC..Hα-helixtrans-75.3-40.6176.4-71.5-48.4000112.1K341 E342 C347 S372 V373 Y374 K378 K379 C380K341-N376 PolarHBondContact O-ND2 3.46Å; K341-N376 VanDerWaalsContact O-ND2 3.12Å; E342-N376 VanDerWaalsContact CA-OD1 3.27Å; E342-N376 WeakPolarHBondContact CA-OD1 3.46Å; E342-N376 PolarHBondContact O-OD1 3.39Å; C347-N376 HydrophobicContact CB-CB 4.49Å; C347-N376 PolarHBondContact SG-ND2 3.27Å; S372-N376 PolarHBondContact O-N 2.97Å; S372-N376 VanDerWaalsContact O-N 3.14Å; S372-N376 PolarHBondContact O-ND2 3.4Å; V373-N376 PolarHBondContact O-N 3.15Å; V373-N376 VanDerWaalsContact O-N 3.13Å; Y374-N376 VanDerWaalsContact C-N 3.26Å; Y374-N376 PolarHBondContact O-N 3.18Å; N376-K378 VanDerWaalsContact C-N 3.32Å; N376-K378 PolarHBondContact O-N 2.78Å; N376-K379 WeakPolarHBondContact O-CB 3.19Å; N376-K379 PolarHBondContact O-N 2.65Å; N376-C380 PolarHBondContact O-N 3.02Å; N376-C380 PolarHBondContact O-SG 2.97Å; N376-C380 VanDerWaalsContact O-SG 3.34Å
377Y89.8Confident88.7Confident35 Ų3538.9 Ų38.914%0.13720%0.198CC..Hα-helixtrans-59.1-40.7174.2-76.42000112.5V373 Y374 K379 C380 L381 H387 Q391V373-Y377 HydrophobicContact CG1-CD1 4.37Å; V373-Y377 HydrophobicContact CG1-CD2 4.32Å; V373-Y377 HydrophobicContact CG1-CE1 4.02Å; V373-Y377 HydrophobicContact CG1-CE2 3.97Å; V373-Y377 PolarHBondContact O-N 2.83Å; Y374-Y377 PolarHBondContact O-N 2.97Å; Y377-K379 PolarHBondContact O-N 3.27Å; Y377-K379 VanDerWaalsContact O-N 3.15Å; Y377-C380 PolarHBondContact O-N 3.31Å; Y377-L381 HydrophobicContact CD1-CD1 4.41Å; Y377-L381 HydrophobicContact CD2-CD1 4.23Å; Y377-L381 HydrophobicContact CG-CD1 3.99Å; Y377-L381 WeakPolarHBondContact O-CB 3.37Å; Y377-L381 PolarHBondContact O-N 3.08Å; Y377-H387 HydrophobicContact CD2-CB 4.36Å; Y377-H387 HydrophobicContact CE2-CB 4.2Å; Y377-Q391 HydrophobicContact CD2-CB 3.97Å; Y377-Q391 HydrophobicContact CD2-CG 4.22Å; Y377-Q391 HydrophobicContact CE2-CB 4.17Å; Y377-Q391 HydrophobicContact CE2-CG 4.45Å
378K91.2Very high89.1Confident109 Ų10938.8 Ų38.847%0.47420%0.198SC..Hα-helixtrans-58.9-27.2175.4-69.1-176.185.5148.90114.1Y374 N376Y374-K378 HydrophobicContact CD1-CD 4.3Å; Y374-K378 HydrophobicContact CD2-CG 4.45Å; Y374-K378 HydrophobicContact CE1-CD 3.68Å; Y374-K378 HydrophobicContact CE1-CG 4.47Å; Y374-K378 HydrophobicContact CE2-CD 4.05Å; Y374-K378 HydrophobicContact CE2-CG 4.09Å; Y374-K378 WeakPolarHBondContact O-CG 3.28Å; Y374-K378 PolarHBondContact O-N 3.47Å; Y374-K378 PolarHBondContact OH-NZ 3.31Å; N376-K378 VanDerWaalsContact C-N 3.32Å; N376-K378 PolarHBondContact O-N 2.78Å
379K86.7Confident89.6Confident84 Ų8433 Ų3337%0.36517%0.171SC..Hα-helixtrans-79.2-40.5179-66.3171-178168.70111.3R194 L262 E342 N376 Y377R194-K379 PolarHBondContact NH2-O 2.98Å; L262-K379 HydrophobicContact CD2-CB 4.3Å; E342-K379 IonicContact OE1-NZ 3.41Å; E342-K379 IonicContact OE2-NZ 3.63Å; E342-K379 PolarHBondContact OE2-NZ 3.35Å; N376-K379 WeakPolarHBondContact O-CB 3.19Å; N376-K379 PolarHBondContact O-N 2.65Å; Y377-K379 PolarHBondContact O-N 3.27Å; Y377-K379 VanDerWaalsContact O-N 3.15Å
380C88.3Confident90.2Very high0 Ų033.3 Ų33.30%017%0.171CC..Hα-helixtrans-96-29.7-172.261.20000114.8R194 R253 L262 N376 Y377R194-C380 PolarHBondContact NH1-O 2.86Å; R253-C380 PolarHBondContact NH1-O 3.05Å; L262-C380 HydrophobicContact CD1-CB 3.99Å; N376-C380 PolarHBondContact O-N 3.02Å; N376-C380 PolarHBondContact O-SG 2.97Å; N376-C380 VanDerWaalsContact O-SG 3.34Å; Y377-C380 PolarHBondContact O-N 3.31Å
381L91.7Very high90.5Very high6 Ų633.3 Ų33.33%0.03117%0.171CC..SBendtrans-100.7153.8-175.3-54.9-177.8000111.8R194 V230 Y377 D385 H387 I388R194-L381 PolarHBondContact NH1-O 3.41Å; V230-L381 HydrophobicContact CG2-CD2 3.61Å; Y377-L381 HydrophobicContact CD1-CD1 4.41Å; Y377-L381 HydrophobicContact CD2-CD1 4.23Å; Y377-L381 HydrophobicContact CG-CD1 3.99Å; Y377-L381 WeakPolarHBondContact O-CB 3.37Å; Y377-L381 PolarHBondContact O-N 3.08Å; L381-D385 HydrophobicContact CB-CB 3.85Å; L381-D385 HydrophobicContact CD1-CB 4.39Å; L381-H387 HydrophobicContact CD1-CB 3.68Å; L381-I388 HydrophobicContact CB-CD1 4.15Å; L381-I388 HydrophobicContact CB-CG1 4.29Å; L381-I388 HydrophobicContact CD1-CG1 4.2Å
382P92Very high90.8Very high9 Ų931.1 Ų31.16%0.05816%0.161CC..  trans-53.8147.2165.7-23.833.6000111.8P195 L211 A384 D385 I388P195-P382 HydrophobicContact CG-CG 3.89Å; P195-P382 WeakPolarHBondContact O-CG 3.29Å; L211-P382 HydrophobicContact CD1-CB 3.81Å; L211-P382 HydrophobicContact CD1-CG 3.83Å; P382-A384 PolarHBondContact O-N 3.48Å; P382-A384 VanDerWaalsContact O-N 3.16Å; P382-D385 HydrophobicContact CB-CB 4.38Å; P382-D385 WeakPolarHBondContact O-CB 3.33Å; P382-D385 PolarHBondContact O-N 3.25Å; P382-I388 WeakPolarHBondContact O-CD1 3.5Å
383A92.1Very high91.3Very high88 Ų8830.2 Ų30.273%0.72716%0.155SC*.THydrogen-bonded Turntrans-58.4-34-174.900000113.6
384A93.2Very high91.6Very high7 Ų733.4 Ų33.46%0.05817%0.169CC..THydrogen-bonded Turntrans-94.718.2177.800000113.5L211 P382 I421 C422L211-A384 HydrophobicContact CD2-CB 4.07Å; L211-A384 WeakPolarHBondContact CD2-O 3.02Å; P382-A384 PolarHBondContact O-N 3.48Å; P382-A384 VanDerWaalsContact O-N 3.16Å; A384-I421 HydrophobicContact CB-CB 4.32Å; A384-I421 HydrophobicContact CB-CD1 3.86Å; A384-I421 HydrophobicContact CB-CG2 3.91Å; A384-C422 PolarHBondContact O-SG 3.32Å
385D92.9Very high91.7Very high13 Ų1332.8 Ų32.87%0.0717%0.167CC..  trans-69.8136.2-179.5-169.7-68.8000112.2L381 P382 H387 I388 G389 I418L381-D385 HydrophobicContact CB-CB 3.85Å; L381-D385 HydrophobicContact CD1-CB 4.39Å; P382-D385 HydrophobicContact CB-CB 4.38Å; P382-D385 WeakPolarHBondContact O-CB 3.33Å; P382-D385 PolarHBondContact O-N 3.25Å; D385-H387 PolarHBondContact O-N 3.11Å; D385-H387 VanDerWaalsContact O-N 3.15Å; D385-H387 WeakPolarHBondContact OD1-CB 3.42Å; D385-H387 IonicContact OD1-CE1 3.22Å; D385-H387 IonicContact OD1-CG 3.64Å; D385-H387 PolarHBondContact OD1-N 2.96Å; D385-H387 IonicContact OD1-ND1 2.61Å; D385-H387 PolarHBondContact OD1-ND1 3.39Å; D385-I388 HydrophobicContact CB-CD1 4.45Å; D385-I388 HydrophobicContact CB-CG1 4.4Å; D385-I388 WeakPolarHBondContact O-CB 3.47Å; D385-I388 PolarHBondContact O-N 3.18Å; D385-G389 PolarHBondContact O-N 3.24Å; D385-I418 WeakPolarHBondContact O-CG2 3.5Å
386R92.4Very high92Very high47 Ų4728.7 Ų28.718%0.17715%0.145CC..Hα-helixtrans-56-33-177.768.1-178.8-178.6-1342113.9M199 I388 G389 F390 C422 F423M199-R386 PolarHBondContact O-NH1 3.46Å; R386-I388 VanDerWaalsContact C-N 3.26Å; R386-I388 PolarHBondContact O-N 3.04Å; R386-G389 WeakPolarHBondContact O-CA 3.38Å; R386-G389 PolarHBondContact O-N 3.38Å; R386-F390 HydrophobicContact CB-CE2 4.26Å; R386-F390 HydrophobicContact CG-CE2 4.39Å; R386-F390 WeakPolarHBondContact O-CD2 3.08Å; R386-F390 PolarHBondContact O-N 2.92Å; R386-C422 HydrophobicContact CB-CB 4.27Å; R386-C422 PolarHBondContact N-SG 2.96Å; R386-F423 HydrophobicContact CB-CE2 4.39Å; R386-F423 HydrophobicContact CB-CZ 4.05Å
387H90.6Very high92.4Very high77 Ų7732.6 Ų32.636%0.35616%0.159SC..Hα-helixtrans-67-30.8180-56.190.4000111.5Y377 L381 D385 Q391Y377-H387 HydrophobicContact CD2-CB 4.36Å; Y377-H387 HydrophobicContact CE2-CB 4.2Å; L381-H387 HydrophobicContact CD1-CB 3.68Å; D385-H387 PolarHBondContact O-N 3.11Å; D385-H387 VanDerWaalsContact O-N 3.15Å; D385-H387 WeakPolarHBondContact OD1-CB 3.42Å; D385-H387 IonicContact OD1-CE1 3.22Å; D385-H387 IonicContact OD1-CG 3.64Å; D385-H387 PolarHBondContact OD1-N 2.96Å; D385-H387 IonicContact OD1-ND1 2.61Å; D385-H387 PolarHBondContact OD1-ND1 3.39Å; H387-Q391 VanDerWaalsContact O-CB 3.3Å; H387-Q391 WeakPolarHBondContact O-CB 3.45Å; H387-Q391 PolarHBondContact O-N 3.33Å
388I94.2Very high92.5Very high2 Ų230.9 Ų30.91%0.0115%0.153CC..Hα-helixtrans-64.3-44.5170.4-59.6-178.9000109.5Y374 L381 P382 D385 R386 F390 Q391 L392 I418Y374-I388 HydrophobicContact CD2-CG2 4.02Å; Y374-I388 HydrophobicContact CE2-CG2 3.61Å; L381-I388 HydrophobicContact CB-CD1 4.15Å; L381-I388 HydrophobicContact CB-CG1 4.29Å; L381-I388 HydrophobicContact CD1-CG1 4.2Å; P382-I388 WeakPolarHBondContact O-CD1 3.5Å; D385-I388 HydrophobicContact CB-CD1 4.45Å; D385-I388 HydrophobicContact CB-CG1 4.4Å; D385-I388 WeakPolarHBondContact O-CB 3.47Å; D385-I388 PolarHBondContact O-N 3.18Å; R386-I388 VanDerWaalsContact C-N 3.26Å; R386-I388 PolarHBondContact O-N 3.04Å; I388-F390 PolarHBondContact O-N 3.04Å; I388-Q391 PolarHBondContact O-N 2.8Å; I388-L392 HydrophobicContact CG2-CD1 4.01Å; I388-L392 HydrophobicContact CG2-CG 4.43Å; I388-L392 VanDerWaalsContact O-CG 3.28Å; I388-L392 WeakPolarHBondContact O-CG 3.25Å; I388-L392 PolarHBondContact O-N 3.23Å; I388-I418 HydrophobicContact CB-CD1 3.97Å; I388-I418 HydrophobicContact CG2-CD1 3.6Å
389G94.8Very high92.7Very high0 Ų025.8 Ų25.80%013%0.131CC..Hα-helixtrans-56.9-48.4175.900000113D385 R386 Q391 L392 L393D385-G389 PolarHBondContact O-N 3.24Å; R386-G389 WeakPolarHBondContact O-CA 3.38Å; R386-G389 PolarHBondContact O-N 3.38Å; G389-Q391 PolarHBondContact O-N 3.42Å; G389-L392 WeakPolarHBondContact O-CB 3.29Å; G389-L392 PolarHBondContact O-N 2.92Å; G389-L393 WeakPolarHBondContact O-CG 3.41Å; G389-L393 PolarHBondContact O-N 3.08Å
390F92.6Very high93Very high42 Ų4221.8 Ų21.818%0.18411%0.113CC..Hα-helixtrans-63.5-41175.4-70.5-66.5000112.6R386 I388 L392 L393 H394 F419 F423 Y429 F457R386-F390 HydrophobicContact CB-CE2 4.26Å; R386-F390 HydrophobicContact CG-CE2 4.39Å; R386-F390 WeakPolarHBondContact O-CD2 3.08Å; R386-F390 PolarHBondContact O-N 2.92Å; I388-F390 PolarHBondContact O-N 3.04Å; F390-L392 VanDerWaalsContact C-N 3.32Å; F390-L392 PolarHBondContact O-N 2.98Å; F390-L393 WeakPolarHBondContact O-CB 3.43Å; F390-L393 PolarHBondContact O-N 2.88Å; F390-L393 VanDerWaalsContact O-N 3.08Å; F390-H394 PolarHBondContact O-CD2 3.24Å; F390-H394 PolarHBondContact O-N 3.14Å; F390-H394 VanDerWaalsContact O-N 3.09Å; F390-F419 AromaticContact CD1-CZ 3.74Å; F390-F419 HydrophobicContact CD1-CZ 3.74Å; F390-F419 HydrophobicContact CD2-CE1 4.34Å; F390-F419 HydrophobicContact CD2-CZ 4.34Å; F390-F419 HydrophobicContact CE1-CE1 4.49Å; F390-F419 HydrophobicContact CE1-CE2 4.47Å; F390-F419 AromaticContact CE1-CZ 3.76Å; F390-F419 HydrophobicContact CE1-CZ 3.76Å; F390-F419 HydrophobicContact CE2-CE1 4.32Å; F390-F419 HydrophobicContact CE2-CZ 4.36Å; F390-F419 HydrophobicContact CG-CE1 4.43Å; F390-F419 HydrophobicContact CG-CZ 4.04Å; F390-F419 HydrophobicContact CZ-CE1 4.39Å; F390-F419 HydrophobicContact CZ-CZ 4.08Å; F390-F423 HydrophobicContact CE2-CZ 4.25Å; F390-F423 HydrophobicContact CZ-CE2 4.4Å; F390-F423 HydrophobicContact CZ-CZ 4.2Å; F390-Y429 HydrophobicContact CE1-CD2 4.28Å; F390-Y429 HydrophobicContact CE1-CE2 4.35Å; F390-Y429 HydrophobicContact CZ-CD2 4.01Å; F390-Y429 AromaticContact CZ-CE2 3.99Å; F390-Y429 HydrophobicContact CZ-CE2 3.99Å; F390-F457 HydrophobicContact CD1-CD2 4.21Å; F390-F457 AromaticContact CD1-CE2 3.97Å; F390-F457 HydrophobicContact CD1-CE2 3.97Å; F390-F457 AromaticContact CE1-CD2 3.63Å; F390-F457 HydrophobicContact CE1-CD2 3.63Å; F390-F457 AromaticContact CE1-CE2 3.67Å; F390-F457 HydrophobicContact CE1-CE2 3.67Å
391Q91.8Very high93.2Very high7 Ų724.9 Ų24.93%0.03313%0.132CC..Hα-helixtrans-64.2-37.4178.1-173.755.935.300112.5Q370 V373 Y377 H387 I388 G389 L393 H394 I395Q370-Q391 PolarHBondContact O-NE2 3.27Å; V373-Q391 HydrophobicContact CB-CG 4.43Å; V373-Q391 HydrophobicContact CG1-CG 4.08Å; Y377-Q391 HydrophobicContact CD2-CB 3.97Å; Y377-Q391 HydrophobicContact CD2-CG 4.22Å; Y377-Q391 HydrophobicContact CE2-CB 4.17Å; Y377-Q391 HydrophobicContact CE2-CG 4.45Å; H387-Q391 VanDerWaalsContact O-CB 3.3Å; H387-Q391 WeakPolarHBondContact O-CB 3.45Å; H387-Q391 PolarHBondContact O-N 3.33Å; I388-Q391 PolarHBondContact O-N 2.8Å; G389-Q391 PolarHBondContact O-N 3.42Å; Q391-L393 VanDerWaalsContact C-N 3.29Å; Q391-L393 PolarHBondContact O-N 3.11Å; Q391-H394 WeakPolarHBondContact O-CB 3.27Å; Q391-H394 PolarHBondContact O-N 3.39Å; Q391-I395 PolarHBondContact O-N 2.86Å
392L95.9Very high93.2Very high0 Ų029.8 Ų29.80%015%0.15CC..Hα-helixtrans-61.3-38.5172-73.9163000111.6Y374 I388 G389 F390 H394 I395 V396 Y411 E414 A415 I418Y374-L392 HydrophobicContact CD2-CD2 3.91Å; Y374-L392 HydrophobicContact CD2-CG 4Å; Y374-L392 HydrophobicContact CE2-CD1 4.13Å; Y374-L392 HydrophobicContact CE2-CD2 3.42Å; Y374-L392 VanDerWaalsContact CE2-CD2 3.42Å; Y374-L392 HydrophobicContact CE2-CG 3.68Å; I388-L392 HydrophobicContact CG2-CD1 4.01Å; I388-L392 HydrophobicContact CG2-CG 4.43Å; I388-L392 VanDerWaalsContact O-CG 3.28Å; I388-L392 WeakPolarHBondContact O-CG 3.25Å; I388-L392 PolarHBondContact O-N 3.23Å; G389-L392 WeakPolarHBondContact O-CB 3.29Å; G389-L392 PolarHBondContact O-N 2.92Å; F390-L392 VanDerWaalsContact C-N 3.32Å; F390-L392 PolarHBondContact O-N 2.98Å; L392-H394 VanDerWaalsContact C-N 3.35Å; L392-H394 PolarHBondContact O-N 2.85Å; L392-I395 WeakPolarHBondContact O-CB 3.44Å; L392-I395 PolarHBondContact O-N 2.86Å; L392-I395 VanDerWaalsContact O-N 3.15Å; L392-V396 WeakPolarHBondContact O-CG2 3.47Å; L392-V396 PolarHBondContact O-N 3.15Å; L392-Y411 HydrophobicContact CD2-CD1 3.54Å; L392-Y411 HydrophobicContact CD2-CE1 4.42Å; L392-Y411 HydrophobicContact CD2-CG 4.35Å; L392-E414 HydrophobicContact CD1-CB 3.85Å; L392-E414 HydrophobicContact CD1-CG 3.63Å; L392-E414 HydrophobicContact CD2-CB 4.48Å; L392-A415 HydrophobicContact CB-CB 3.87Å; L392-A415 HydrophobicContact CD1-CB 4.29Å; L392-I418 HydrophobicContact CD1-CD1 3.67Å
393L95Very high93.2Very high7 Ų735.2 Ų35.24%0.03718%0.179CC..Hα-helixtrans-67.7-32.4175.7-66.3178.1000113.1G389 F390 Q391 I395 V396 R397 A415 F419 T433 L436 M455 F457G389-L393 WeakPolarHBondContact O-CG 3.41Å; G389-L393 PolarHBondContact O-N 3.08Å; F390-L393 WeakPolarHBondContact O-CB 3.43Å; F390-L393 PolarHBondContact O-N 2.88Å; F390-L393 VanDerWaalsContact O-N 3.08Å; Q391-L393 VanDerWaalsContact C-N 3.29Å; Q391-L393 PolarHBondContact O-N 3.11Å; L393-I395 VanDerWaalsContact C-N 3.31Å; L393-I395 PolarHBondContact O-N 3.38Å; L393-V396 PolarHBondContact O-N 3.46Å; L393-R397 WeakPolarHBondContact O-CB 3.37Å; L393-R397 PolarHBondContact O-N 3.46Å; L393-A415 HydrophobicContact CD2-CB 3.89Å; L393-A415 HydrophobicContact CG-CB 4.02Å; L393-F419 HydrophobicContact CD1-CE2 3.54Å; L393-F419 HydrophobicContact CD1-CZ 3.92Å; L393-T433 HydrophobicContact CD2-CG2 4.03Å; L393-L436 HydrophobicContact CD2-CD2 3.87Å; L393-M455 HydrophobicContact CB-SD 4.15Å; L393-M455 HydrophobicContact CD2-CG 4.27Å; L393-M455 HydrophobicContact CD2-SD 4.19Å; L393-F457 HydrophobicContact CD1-CE2 3.46Å; L393-F457 VanDerWaalsContact CD1-CE2 3.46Å; L393-F457 HydrophobicContact CD1-CZ 3.4Å; L393-F457 VanDerWaalsContact CD1-CZ 3.4Å
394H91.2Very high93.3Very high68 Ų6835.3 Ų35.332%0.31516%0.163SC..Hα-helixtrans-63.3-37.3169.7-67.1-50.7000112.3Q370 F390 Q391 L392 S398Q370-H394 HydrophobicContact CG-CB 4.36Å; F390-H394 PolarHBondContact O-CD2 3.24Å; F390-H394 PolarHBondContact O-N 3.14Å; F390-H394 VanDerWaalsContact O-N 3.09Å; Q391-H394 WeakPolarHBondContact O-CB 3.27Å; Q391-H394 PolarHBondContact O-N 3.39Å; L392-H394 VanDerWaalsContact C-N 3.35Å; L392-H394 PolarHBondContact O-N 2.85Å; H394-S398 WeakPolarHBondContact O-CB 3.37Å; H394-S398 PolarHBondContact O-N 2.68Å; H394-S398 PolarHBondContact O-OG 2.85Å
395I94Very high93.5Very high0 Ų038.5 Ų38.50%017%0.173CC..Hα-helixtrans-65.1-46.7172.4-65.7171000110.5L367 Q370 K371 Y374 Q391 L392 L393 R397 S398 L399 Y411L367-I395 HydrophobicContact CD1-CG2 3.83Å; Q370-I395 HydrophobicContact CB-CG1 3.68Å; K371-I395 HydrophobicContact CG-CD1 4.28Å; Y374-I395 HydrophobicContact CD1-CD1 4.3Å; Y374-I395 HydrophobicContact CG-CD1 4.03Å; Q391-I395 PolarHBondContact O-N 2.86Å; L392-I395 WeakPolarHBondContact O-CB 3.44Å; L392-I395 PolarHBondContact O-N 2.86Å; L392-I395 VanDerWaalsContact O-N 3.15Å; L393-I395 VanDerWaalsContact C-N 3.31Å; L393-I395 PolarHBondContact O-N 3.38Å; I395-R397 PolarHBondContact O-N 3.27Å; I395-S398 WeakPolarHBondContact O-CB 3.15Å; I395-S398 PolarHBondContact O-N 3.5Å; I395-L399 HydrophobicContact CG2-CD1 3.85Å; I395-L399 HydrophobicContact CG2-CG 4.47Å; I395-L399 WeakPolarHBondContact O-CG 3.45Å; I395-L399 PolarHBondContact O-N 3.1Å; I395-Y411 HydrophobicContact CD1-CD1 4.45Å; I395-Y411 HydrophobicContact CD1-CE1 4.28Å; I395-Y411 HydrophobicContact CG2-CD1 4.02Å; I395-Y411 HydrophobicContact CG2-CD2 3.63Å; I395-Y411 HydrophobicContact CG2-CE1 4.06Å; I395-Y411 HydrophobicContact CG2-CE2 3.69Å; I395-Y411 HydrophobicContact CG2-CG 3.78Å
396V96.2Very high93.6Very high0 Ų044.7 Ų44.70%020%0.202CC..Hα-helixtrans-57.6-48.6177170.60000111.1L392 L393 S398 L399 I400 A408 A412 L436 L440 M455L392-V396 WeakPolarHBondContact O-CG2 3.47Å; L392-V396 PolarHBondContact O-N 3.15Å; L393-V396 PolarHBondContact O-N 3.46Å; V396-S398 VanDerWaalsContact C-N 3.34Å; V396-S398 PolarHBondContact O-N 3.07Å; V396-L399 PolarHBondContact O-N 3.09Å; V396-I400 HydrophobicContact CG1-CD1 3.66Å; V396-I400 HydrophobicContact CG1-CG1 4.34Å; V396-I400 WeakPolarHBondContact O-CG1 3.32Å; V396-I400 PolarHBondContact O-N 3.38Å; V396-A408 HydrophobicContact CG1-CB 4.25Å; V396-A412 HydrophobicContact CG2-CB 3.99Å; V396-L436 HydrophobicContact CG1-CD2 4.03Å; V396-L440 HydrophobicContact CG1-CD1 4.14Å; V396-M455 HydrophobicContact CB-SD 4.33Å; V396-M455 HydrophobicContact CG1-SD 4.04Å
397R93.8Very high93.8Very high83 Ų8345.9 Ų45.931%0.31321%0.209SC..Hα-helixtrans-54.4-49.1174.6177.7169.8-171.3131.80.3111.7L393 I395 L399 I400 V401 L452 M455L393-R397 WeakPolarHBondContact O-CB 3.37Å; L393-R397 PolarHBondContact O-N 3.46Å; I395-R397 PolarHBondContact O-N 3.27Å; R397-L399 VanDerWaalsContact C-N 3.29Å; R397-L399 PolarHBondContact O-N 3.47Å; R397-I400 PolarHBondContact O-N 3.11Å; R397-V401 WeakPolarHBondContact O-CG2 3.33Å; R397-V401 PolarHBondContact O-N 2.72Å; R397-L452 HydrophobicContact CB-CD2 4.27Å; R397-L452 HydrophobicContact CG-CD2 3.79Å; R397-M455 HydrophobicContact CB-CE 3.78Å; R397-M455 HydrophobicContact CB-SD 4.22Å; R397-M455 HydrophobicContact CG-CE 4.37Å
398S92Very high94.2Very high0 Ų042.2 Ų42.20%019%0.192CC..Hα-helixtrans-59.2-40.5179-59.50000112.1M364 T365 H394 I395 V396 R402M364-S398 PolarHBondContact O-OG 3.4Å; T365-S398 WeakPolarHBondContact CA-OG 3.3Å; H394-S398 WeakPolarHBondContact O-CB 3.37Å; H394-S398 PolarHBondContact O-N 2.68Å; H394-S398 PolarHBondContact O-OG 2.85Å; I395-S398 WeakPolarHBondContact O-CB 3.15Å; I395-S398 PolarHBondContact O-N 3.5Å; V396-S398 VanDerWaalsContact C-N 3.34Å; V396-S398 PolarHBondContact O-N 3.07Å; S398-R402 WeakPolarHBondContact O-CB 3.35Å; S398-R402 WeakPolarHBondContact O-CD 3.48Å; S398-R402 WeakPolarHBondContact O-CG 3.27Å; S398-R402 PolarHBondContact O-N 2.78Å
399L95Very high94.4Very high1 Ų143.4 Ų43.41%0.00520%0.2CC..Hα-helixtrans-71.3-40.4178.8-70.9167.8000112.5L367 I395 V396 R397 R402 N403 K404 E407 A408 Y411L367-L399 HydrophobicContact CD1-CD2 4.01Å; L367-L399 HydrophobicContact CD1-CG 3.95Å; L367-L399 HydrophobicContact CD2-CD2 3.65Å; L367-L399 HydrophobicContact CD2-CG 4.49Å; I395-L399 HydrophobicContact CG2-CD1 3.85Å; I395-L399 HydrophobicContact CG2-CG 4.47Å; I395-L399 WeakPolarHBondContact O-CG 3.45Å; I395-L399 PolarHBondContact O-N 3.1Å; V396-L399 PolarHBondContact O-N 3.09Å; R397-L399 VanDerWaalsContact C-N 3.29Å; R397-L399 PolarHBondContact O-N 3.47Å; L399-R402 CarbonylContact O-C 3.57Å; L399-R402 PolarHBondContact O-N 3.13Å; L399-N403 PolarHBondContact O-N 2.73Å; L399-K404 HydrophobicContact CB-CB 4.32Å; L399-K404 HydrophobicContact CD2-CB 3.81Å; L399-K404 HydrophobicContact CD2-CD 4.09Å; L399-K404 PolarHBondContact O-N 3.1Å; L399-E407 HydrophobicContact CD1-CB 4.08Å; L399-E407 HydrophobicContact CD2-CB 3.99Å; L399-A408 HydrophobicContact CB-CB 3.88Å; L399-A408 HydrophobicContact CD1-CB 4.05Å; L399-Y411 HydrophobicContact CD1-CD2 3.59Å; L399-Y411 HydrophobicContact CD1-CE2 3.72Å
400I94.2Very high94.5Very high0 Ų050.5 Ų50.50%023%0.226CC..Hα-helixtrans-61.2-48.1176-70167.2000110.5V396 R397 R402 N403 L436 L440 N448 L451 L452 M455V396-I400 HydrophobicContact CG1-CD1 3.66Å; V396-I400 HydrophobicContact CG1-CG1 4.34Å; V396-I400 WeakPolarHBondContact O-CG1 3.32Å; V396-I400 PolarHBondContact O-N 3.38Å; R397-I400 PolarHBondContact O-N 3.11Å; I400-R402 PolarHBondContact O-N 3.12Å; I400-N403 PolarHBondContact O-N 2.72Å; I400-L436 HydrophobicContact CD1-CD1 4.23Å; I400-L440 HydrophobicContact CD1-CD2 4.46Å; I400-L440 HydrophobicContact CG1-CD2 4.39Å; I400-N448 HydrophobicContact CG2-CB 3.97Å; I400-N448 PolarHBondContact O-ND2 2.91Å; I400-L451 HydrophobicContact CD1-CB 4.05Å; I400-L451 HydrophobicContact CD1-CD1 4.46Å; I400-L452 HydrophobicContact CB-CD2 4.35Å; I400-L452 HydrophobicContact CD1-CD2 4.47Å; I400-L452 HydrophobicContact CG2-CD2 4.1Å; I400-L452 HydrophobicContact CG2-CG 4.31Å; I400-M455 HydrophobicContact CD1-CE 4.17Å
401V91.4Very high94.8Very high66 Ų6649.5 Ų49.540%0.422%0.221SC..Hα-helixtrans-60.9-34.5178.2173.60000111.4T365 R397 N403 L452T365-V401 HydrophobicContact CG2-CB 4.18Å; T365-V401 HydrophobicContact CG2-CG1 4.12Å; T365-V401 HydrophobicContact CG2-CG2 4.18Å; R397-V401 WeakPolarHBondContact O-CG2 3.33Å; R397-V401 PolarHBondContact O-N 2.72Å; V401-N403 PolarHBondContact O-N 2.84Å; V401-L452 HydrophobicContact CG2-CD1 4.23Å
402R91.4Very high95.1Very high109 Ų10949.1 Ų49.141%0.41122%0.22SC..THydrogen-bonded Turntrans-82.39.1175.6-66.1171.1-176.2-137-2.7114T365 L367 S398 L399 I400 K404T365-R402 VanDerWaalsContact O-CZ 3.29Å; T365-R402 PolarHBondContact O-NE 3.19Å; T365-R402 VanDerWaalsContact O-NE 3.12Å; T365-R402 PolarHBondContact O-NH2 2.68Å; L367-R402 VanDerWaalsContact N-NH2 3.17Å; S398-R402 WeakPolarHBondContact O-CB 3.35Å; S398-R402 WeakPolarHBondContact O-CD 3.48Å; S398-R402 WeakPolarHBondContact O-CG 3.27Å; S398-R402 PolarHBondContact O-N 2.78Å; L399-R402 CarbonylContact O-C 3.57Å; L399-R402 PolarHBondContact O-N 3.13Å; I400-R402 PolarHBondContact O-N 3.12Å; R402-K404 HydrophobicContact CB-CD 4.22Å; R402-K404 HydrophobicContact CB-CG 4.41Å; R402-K404 PolarHBondContact O-N 3.21Å
403N92.1Very high95.2Very high123 Ų12353.6 Ų53.666%0.65824%0.237SC*.THydrogen-bonded Turntrans56.127.4-175.8-62.7-45.9000114.7L399 I400 V401 N448L399-N403 PolarHBondContact O-N 2.73Å; I400-N403 PolarHBondContact O-N 2.72Å; V401-N403 PolarHBondContact O-N 2.84Å; N403-N448 PolarHBondContact OD1-ND2 3Å
404K95.3Very high95.3Very high89 Ų8956.3 Ų56.339%0.38725%0.25SC..  trans-102.550.6178.6-71.1172.3157.3-115.60111.7L399 R402 E406 E407 A408L399-K404 HydrophobicContact CB-CB 4.32Å; L399-K404 HydrophobicContact CD2-CB 3.81Å; L399-K404 HydrophobicContact CD2-CD 4.09Å; L399-K404 PolarHBondContact O-N 3.1Å; R402-K404 HydrophobicContact CB-CD 4.22Å; R402-K404 HydrophobicContact CB-CG 4.41Å; R402-K404 PolarHBondContact O-N 3.21Å; K404-E406 VanDerWaalsContact C-N 3.31Å; K404-E406 PolarHBondContact O-N 3.24Å; K404-E407 HydrophobicContact CB-CB 4.46Å; K404-E407 HydrophobicContact CB-CG 4.5Å; K404-E407 WeakPolarHBondContact CD-OE1 3.3Å; K404-E407 IonicContact NZ-OE1 2.73Å; K404-E407 PolarHBondContact NZ-OE1 3.2Å; K404-E407 IonicContact NZ-OE2 3.28Å; K404-E407 PolarHBondContact O-N 3.11Å; K404-A408 PolarHBondContact O-N 3.3Å
405R95.8Very high95.7Very high75 Ų7553 Ų5328%0.28324%0.235SC..Hα-helixtrans-61.2-35.6-173.2-65.5-175.4-176-1720.5113.7E407 A408 V409 L440 K446 N448R405-E407 VanDerWaalsContact C-N 3.33Å; R405-E407 PolarHBondContact O-N 3.17Å; R405-A408 VanDerWaalsContact O-CB 3.28Å; R405-A408 WeakPolarHBondContact O-CB 3.16Å; R405-A408 PolarHBondContact O-N 3.4Å; R405-V409 PolarHBondContact O-N 3.21Å; R405-L440 HydrophobicContact CB-CD2 4Å; R405-L440 HydrophobicContact CG-CD2 4.22Å; R405-K446 VanDerWaalsContact CZ-O 3.28Å; R405-K446 PolarHBondContact NH1-O 2.94Å; R405-K446 PolarHBondContact NH2-O 3.34Å; R405-N448 PolarHBondContact NE-OD1 2.79Å; R405-N448 PolarHBondContact NH2-OD1 3.41Å
406E96.7Very high95.8Very high142 Ų14253.5 Ų53.566%0.66424%0.237SC*.Hα-helixtrans-63-39.3178.6-62.7-171.5156.600111.9K404 A408 V409 K443K404-E406 VanDerWaalsContact C-N 3.31Å; K404-E406 PolarHBondContact O-N 3.24Å; E406-A408 PolarHBondContact O-N 2.97Å; E406-V409 PolarHBondContact O-N 2.89Å; E406-K443 IonicContact OE1-NZ 3.44Å; E406-K443 PolarHBondContact OE1-NZ 3.29Å
407E96.8Very high95.9Very high72 Ų7258.5 Ų58.534%0.33626%0.256SS..Hα-helixtrans-66.8-25.4174.1-64.1-176.2-127.900112.3L399 K404 R405 Y411L399-E407 HydrophobicContact CD1-CB 4.08Å; L399-E407 HydrophobicContact CD2-CB 3.99Å; K404-E407 HydrophobicContact CB-CB 4.46Å; K404-E407 HydrophobicContact CB-CG 4.5Å; K404-E407 WeakPolarHBondContact CD-OE1 3.3Å; K404-E407 IonicContact NZ-OE1 2.73Å; K404-E407 PolarHBondContact NZ-OE1 3.2Å; K404-E407 IonicContact NZ-OE2 3.28Å; K404-E407 PolarHBondContact O-N 3.11Å; R405-E407 VanDerWaalsContact C-N 3.33Å; R405-E407 PolarHBondContact O-N 3.17Å; E407-Y411 VanDerWaalsContact O-CD2 3.24Å; E407-Y411 WeakPolarHBondContact O-CD2 3.49Å
408A97.3Very high96Very high0 Ų054.9 Ų54.90%024%0.242CC..Hα-helixtrans-76.3-24.8-176.900000113.3V396 L399 K404 R405 E406 R410 Y411 A412 L440V396-A408 HydrophobicContact CG1-CB 4.25Å; L399-A408 HydrophobicContact CB-CB 3.88Å; L399-A408 HydrophobicContact CD1-CB 4.05Å; K404-A408 PolarHBondContact O-N 3.3Å; R405-A408 VanDerWaalsContact O-CB 3.28Å; R405-A408 WeakPolarHBondContact O-CB 3.16Å; R405-A408 PolarHBondContact O-N 3.4Å; E406-A408 PolarHBondContact O-N 2.97Å; A408-R410 PolarHBondContact O-N 3.36Å; A408-Y411 PolarHBondContact O-N 3Å; A408-Y411 VanDerWaalsContact O-N 3.14Å; A408-A412 PolarHBondContact O-N 3.06Å; A408-L440 HydrophobicContact CB-CD1 4.2Å
409V98.3Very high96.1Very high27 Ų2754.9 Ų54.916%0.16424%0.242CC..Hα-helixtrans-53.2-49.8-175.61780000111.7R405 E406 Y411 A412 Y413 L440 D441R405-V409 PolarHBondContact O-N 3.21Å; E406-V409 PolarHBondContact O-N 2.89Å; V409-Y411 VanDerWaalsContact C-N 3.31Å; V409-Y411 PolarHBondContact O-N 2.68Å; V409-A412 PolarHBondContact O-N 2.78Å; V409-Y413 WeakPolarHBondContact O-CB 3.46Å; V409-Y413 PolarHBondContact O-N 3.11Å; V409-L440 HydrophobicContact CG2-CB 4Å; V409-D441 HydrophobicContact CG1-CB 4.07Å; V409-D441 WeakPolarHBondContact CG1-OD1 3.35Å
410R97.8Very high96.1Very high150 Ų15057.6 Ų57.657%0.56626%0.255SS*.Hα-helixtrans-61.9-38.5-178.269.9179.5-179.1-172.8-2.2113A408 E414A408-R410 PolarHBondContact O-N 3.36Å; R410-E414 PolarHBondContact O-N 2.97Å
411Y98.1Very high96.1Very high20 Ų2059.6 Ų59.68%0.07827%0.266CS..Hα-helixtrans-74.7-37.9-178.1-64.2-69000110.8L392 I395 L399 E407 A408 V409 E414 A415L392-Y411 HydrophobicContact CD2-CD1 3.54Å; L392-Y411 HydrophobicContact CD2-CE1 4.42Å; L392-Y411 HydrophobicContact CD2-CG 4.35Å; I395-Y411 HydrophobicContact CD1-CD1 4.45Å; I395-Y411 HydrophobicContact CD1-CE1 4.28Å; I395-Y411 HydrophobicContact CG2-CD1 4.02Å; I395-Y411 HydrophobicContact CG2-CD2 3.63Å; I395-Y411 HydrophobicContact CG2-CE1 4.06Å; I395-Y411 HydrophobicContact CG2-CE2 3.69Å; I395-Y411 HydrophobicContact CG2-CG 3.78Å; L399-Y411 HydrophobicContact CD1-CD2 3.59Å; L399-Y411 HydrophobicContact CD1-CE2 3.72Å; E407-Y411 VanDerWaalsContact O-CD2 3.24Å; E407-Y411 WeakPolarHBondContact O-CD2 3.49Å; A408-Y411 PolarHBondContact O-N 3Å; A408-Y411 VanDerWaalsContact O-N 3.14Å; V409-Y411 VanDerWaalsContact C-N 3.31Å; V409-Y411 PolarHBondContact O-N 2.68Å; Y411-E414 PolarHBondContact O-N 2.61Å; Y411-A415 WeakPolarHBondContact O-CB 3.41Å; Y411-A415 PolarHBondContact O-N 2.9Å
412A98.4Very high96.1Very high0 Ų056.5 Ų56.50%025%0.247CC..Hα-helixtrans-64.5-41.3173.700000111.6V396 A408 V409 A415 M416 W437 L440V396-A412 HydrophobicContact CG2-CB 3.99Å; A408-A412 PolarHBondContact O-N 3.06Å; V409-A412 PolarHBondContact O-N 2.78Å; A412-A415 PolarHBondContact O-N 3.08Å; A412-M416 WeakPolarHBondContact O-CB 3.21Å; A412-M416 PolarHBondContact O-N 3.2Å; A412-W437 HydrophobicContact CB-CB 3.97Å; A412-L440 HydrophobicContact CB-CD1 3.81Å
413Y98.5Very high96.1Very high94 Ų9451.6 Ų51.637%0.36923%0.228SC..Hα-helixtrans-61.7-46.9174.9179.4-110.1000112.3V409 A415 M416 R417 W437V409-Y413 WeakPolarHBondContact O-CB 3.46Å; V409-Y413 PolarHBondContact O-N 3.11Å; Y413-A415 PolarHBondContact O-N 3.18Å; Y413-M416 HydrophobicContact CD2-CE 3.73Å; Y413-M416 HydrophobicContact CE2-CE 3.69Å; Y413-M416 WeakPolarHBondContact O-CB 3.39Å; Y413-M416 PolarHBondContact O-N 3.5Å; Y413-R417 HydrophobicContact CE1-CG 4.13Å; Y413-R417 HydrophobicContact CE2-CG 4.16Å; Y413-R417 WeakPolarHBondContact O-CG 3.42Å; Y413-R417 PolarHBondContact O-N 3.5Å; Y413-R417 PolarHBondContact OH-NH1 3.1Å; Y413-W437 HydrophobicContact CD2-CD2 4.11Å; Y413-W437 AromaticContact CD2-CE2 3.61Å; Y413-W437 HydrophobicContact CD2-CH2 4.36Å; Y413-W437 AromaticContact CD2-CZ2 3.75Å; Y413-W437 HydrophobicContact CD2-CZ2 3.75Å; Y413-W437 AromaticContact CD2-NE1 3.82Å; Y413-W437 HydrophobicContact CE2-CZ2 4.19Å
414E97.9Very high96Very high63 Ų6345.9 Ų45.929%0.29420%0.198SC..Hα-helixtrans-63.4-42.2178-169179.8163.400111.4Y374 L392 R410 Y411 M416 R417 I418Y374-E414 VanDerWaalsContact OH-CD 3.24Å; Y374-E414 PolarHBondContact OH-OE1 3.32Å; Y374-E414 PolarHBondContact OH-OE2 3.3Å; Y374-E414 VanDerWaalsContact OH-OE2 3.12Å; L392-E414 HydrophobicContact CD1-CB 3.85Å; L392-E414 HydrophobicContact CD1-CG 3.63Å; L392-E414 HydrophobicContact CD2-CB 4.48Å; R410-E414 PolarHBondContact O-N 2.97Å; Y411-E414 PolarHBondContact O-N 2.61Å; E414-M416 PolarHBondContact O-N 3.12Å; E414-R417 PolarHBondContact O-N 2.9Å; E414-I418 HydrophobicContact CG-CD1 4.32Å; E414-I418 WeakPolarHBondContact O-CG1 3.34Å; E414-I418 PolarHBondContact O-N 3.28Å
415A98.1Very high95.9Very high0 Ų045.7 Ų45.70%020%0.201CC..Hα-helixtrans-61.5-44.1175.200000111.9L392 L393 Y411 A412 Y413 R417 I418 F419 T433L392-A415 HydrophobicContact CB-CB 3.87Å; L392-A415 HydrophobicContact CD1-CB 4.29Å; L393-A415 HydrophobicContact CD2-CB 3.89Å; L393-A415 HydrophobicContact CG-CB 4.02Å; Y411-A415 WeakPolarHBondContact O-CB 3.41Å; Y411-A415 PolarHBondContact O-N 2.9Å; A412-A415 PolarHBondContact O-N 3.08Å; Y413-A415 PolarHBondContact O-N 3.18Å; A415-R417 PolarHBondContact O-N 2.95Å; A415-I418 PolarHBondContact O-N 3.35Å; A415-F419 WeakPolarHBondContact O-CG 3.44Å; A415-F419 PolarHBondContact O-N 3.49Å; A415-T433 HydrophobicContact CB-CG2 4.04Å
416M97.8Very high95.6Very high9 Ų945.1 Ų45.14%0.04420%0.203CC..Hα-helixtrans-57.7-48.4176.4-179.2-151.568.200111.1A412 Y413 E414 I418 F419 E420 Y430 T433 L434 W437A412-M416 WeakPolarHBondContact O-CB 3.21Å; A412-M416 PolarHBondContact O-N 3.2Å; Y413-M416 HydrophobicContact CD2-CE 3.73Å; Y413-M416 HydrophobicContact CE2-CE 3.69Å; Y413-M416 WeakPolarHBondContact O-CB 3.39Å; Y413-M416 PolarHBondContact O-N 3.5Å; E414-M416 PolarHBondContact O-N 3.12Å; M416-I418 VanDerWaalsContact C-N 3.32Å; M416-I418 PolarHBondContact O-N 2.92Å; M416-F419 PolarHBondContact O-N 3.45Å; M416-E420 WeakPolarHBondContact O-CB 3.39Å; M416-E420 PolarHBondContact O-N 3.42Å; M416-Y430 HydrophobicContact CG-CD2 4.1Å; M416-Y430 HydrophobicContact CG-CE2 3.78Å; M416-Y430 HydrophobicContact SD-CE2 4.43Å; M416-T433 HydrophobicContact CB-CG2 3.91Å; M416-L434 HydrophobicContact CG-CB 4.19Å; M416-L434 HydrophobicContact CG-CD1 4.43Å; M416-L434 HydrophobicContact SD-CB 4.31Å; M416-L434 HydrophobicContact SD-CD1 3.49Å; M416-L434 WeakPolarHBondContact SD-CD1 3.48Å; M416-W437 HydrophobicContact CE-CE3 4.47Å; M416-W437 HydrophobicContact SD-CD2 4.18Å; M416-W437 HydrophobicContact SD-CE3 3.54Å; M416-W437 VanDerWaalsContact SD-CE3 3.54Å; M416-W437 HydrophobicContact SD-CZ3 3.98Å
417R96.7Very high95.4Very high105 Ų10538.8 Ų38.840%0.39617%0.174SC..Hα-helixtrans-60.9-39.5178.1-74-67.6-58.6-97.2-3.7112.5Y413 E414 A415 E420 I421Y413-R417 HydrophobicContact CE1-CG 4.13Å; Y413-R417 HydrophobicContact CE2-CG 4.16Å; Y413-R417 WeakPolarHBondContact O-CG 3.42Å; Y413-R417 PolarHBondContact O-N 3.5Å; Y413-R417 PolarHBondContact OH-NH1 3.1Å; E414-R417 PolarHBondContact O-N 2.9Å; A415-R417 PolarHBondContact O-N 2.95Å; R417-E420 IonicContact NE-OE2 3.57Å; R417-E420 WeakPolarHBondContact O-CB 3.37Å; R417-I421 WeakPolarHBondContact O-CG1 3.33Å; R417-I421 PolarHBondContact O-N 3.45Å
418I96Very high95.2Very high7 Ų735.8 Ų35.84%0.03616%0.161CC..Hα-helixtrans-65-44.5176.1-71.4170.9000110.7D385 I388 L392 E414 A415 M416 I421 C422D385-I418 WeakPolarHBondContact O-CG2 3.5Å; I388-I418 HydrophobicContact CB-CD1 3.97Å; I388-I418 HydrophobicContact CG2-CD1 3.6Å; L392-I418 HydrophobicContact CD1-CD1 3.67Å; E414-I418 HydrophobicContact CG-CD1 4.32Å; E414-I418 WeakPolarHBondContact O-CG1 3.34Å; E414-I418 PolarHBondContact O-N 3.28Å; A415-I418 PolarHBondContact O-N 3.35Å; M416-I418 VanDerWaalsContact C-N 3.32Å; M416-I418 PolarHBondContact O-N 2.92Å; I418-I421 PolarHBondContact O-N 2.91Å; I418-C422 WeakPolarHBondContact O-CB 3.31Å; I418-C422 PolarHBondContact O-N 2.79Å
419F95.6Very high95.1Very high0 Ų036 Ų360%016%0.161CC..Hα-helixtrans-71.3-31.3-179.7-72.4-5.9000113.5F390 L393 A415 M416 I421 F423 G424 T433 F457F390-F419 AromaticContact CD1-CZ 3.74Å; F390-F419 HydrophobicContact CD1-CZ 3.74Å; F390-F419 HydrophobicContact CD2-CE1 4.34Å; F390-F419 HydrophobicContact CD2-CZ 4.34Å; F390-F419 HydrophobicContact CE1-CE1 4.49Å; F390-F419 HydrophobicContact CE1-CE2 4.47Å; F390-F419 AromaticContact CE1-CZ 3.76Å; F390-F419 HydrophobicContact CE1-CZ 3.76Å; F390-F419 HydrophobicContact CE2-CE1 4.32Å; F390-F419 HydrophobicContact CE2-CZ 4.36Å; F390-F419 HydrophobicContact CG-CE1 4.43Å; F390-F419 HydrophobicContact CG-CZ 4.04Å; F390-F419 HydrophobicContact CZ-CE1 4.39Å; F390-F419 HydrophobicContact CZ-CZ 4.08Å; L393-F419 HydrophobicContact CD1-CE2 3.54Å; L393-F419 HydrophobicContact CD1-CZ 3.92Å; A415-F419 WeakPolarHBondContact O-CG 3.44Å; A415-F419 PolarHBondContact O-N 3.49Å; M416-F419 PolarHBondContact O-N 3.45Å; F419-I421 VanDerWaalsContact C-N 3.32Å; F419-I421 PolarHBondContact O-N 3.19Å; F419-F423 HydrophobicContact CB-CD2 3.9Å; F419-F423 HydrophobicContact CB-CE2 4.47Å; F419-F423 AromaticContact CD1-CD2 3.81Å; F419-F423 HydrophobicContact CD1-CD2 3.81Å; F419-F423 AromaticContact CD1-CE2 3.51Å; F419-F423 HydrophobicContact CD1-CE2 3.51Å; F419-F423 HydrophobicContact CE1-CD2 4.49Å; F419-F423 AromaticContact CE1-CE2 3.76Å; F419-F423 HydrophobicContact CE1-CE2 3.76Å; F419-F423 AromaticContact CG-CD2 3.87Å; F419-F423 HydrophobicContact CG-CD2 3.87Å; F419-F423 AromaticContact CG-CE2 3.94Å; F419-F423 HydrophobicContact CG-CE2 3.94Å; F419-F423 HydrophobicContact CZ-CE2 4.37Å; F419-F423 WeakPolarHBondContact O-CA 3.44Å; F419-F423 WeakPolarHBondContact O-CB 3.36Å; F419-F423 PolarHBondContact O-N 3.22Å; F419-G424 PolarHBondContact O-N 2.94Å; F419-T433 HydrophobicContact CD2-CG2 4.4Å; F419-T433 WeakPolarHBondContact CD2-OG1 3.46Å; F419-F457 HydrophobicContact CE2-CE2 4.07Å; F419-F457 AromaticContact CE2-CZ 3.78Å; F419-F457 HydrophobicContact CE2-CZ 3.78Å; F419-F457 HydrophobicContact CZ-CE2 4.47Å
420E94.5Very high94.9Very high59 Ų5935.9 Ų35.928%0.27616%0.158SC..Hα-helixtrans-55.9-48.5168.4-178.4-179.1-179.700111.1M416 R417 G424 L425 Y430M416-E420 WeakPolarHBondContact O-CB 3.39Å; M416-E420 PolarHBondContact O-N 3.42Å; R417-E420 IonicContact NE-OE2 3.57Å; R417-E420 WeakPolarHBondContact O-CB 3.37Å; E420-G424 VanDerWaalsContact O-CA 3.23Å; E420-G424 WeakPolarHBondContact O-CA 3.38Å; E420-G424 PolarHBondContact O-N 3.34Å; E420-L425 HydrophobicContact CG-CD2 3.81Å; E420-Y430 HydrophobicContact CB-CD2 3.67Å; E420-Y430 HydrophobicContact CB-CE2 3.67Å; E420-Y430 HydrophobicContact CG-CD2 4.41Å; E420-Y430 HydrophobicContact CG-CE2 4.07Å
421I93.3Very high94.8Very high42 Ų4231 Ų3122%0.21514%0.143CC..Hα-helixtrans-68.7-52.9-179.5-65.3166.7000110.7R209 P210 A384 R417 I418 F419R209-I421 VanDerWaalsContact CD-O 3.32Å; R209-I421 WeakPolarHBondContact CD-O 3.41Å; R209-I421 PolarHBondContact NE-O 2.89Å; P210-I421 WeakPolarHBondContact O-CG2 3.29Å; A384-I421 HydrophobicContact CB-CB 4.32Å; A384-I421 HydrophobicContact CB-CD1 3.86Å; A384-I421 HydrophobicContact CB-CG2 3.91Å; R417-I421 WeakPolarHBondContact O-CG1 3.33Å; R417-I421 PolarHBondContact O-N 3.45Å; I418-I421 PolarHBondContact O-N 2.91Å; F419-I421 VanDerWaalsContact C-N 3.32Å; F419-I421 PolarHBondContact O-N 3.19Å
422C91.8Very high94.7Very high0 Ų032.1 Ų32.10%015%0.149CC..Hα-helixtrans-71.2-34.3-173.2-89.90000114.5V200 R209 A384 R386 I418V200-C422 WeakPolarHBondContact CG1-O 3.26Å; R209-C422 WeakPolarHBondContact CD-O 3.29Å; A384-C422 PolarHBondContact O-SG 3.32Å; R386-C422 HydrophobicContact CB-CB 4.27Å; R386-C422 PolarHBondContact N-SG 2.96Å; I418-C422 WeakPolarHBondContact O-CB 3.31Å; I418-C422 PolarHBondContact O-N 2.79Å
423F91.7Very high94.6Very high7 Ų732.1 Ų32.13%0.03115%0.149CC..Hα-helixtrans-117.1-32-172.3-59.5-59.5000113.3N173 V200 R209 R386 F390 F419 H427 Y429N173-F423 HydrophobicContact CB-CE1 4.23Å; V200-F423 HydrophobicContact CB-CD1 4.4Å; V200-F423 HydrophobicContact CG1-CD1 3.99Å; V200-F423 HydrophobicContact CG1-CE1 3.98Å; R209-F423 PolarHBondContact NH1-O 3Å; R386-F423 HydrophobicContact CB-CE2 4.39Å; R386-F423 HydrophobicContact CB-CZ 4.05Å; F390-F423 HydrophobicContact CE2-CZ 4.25Å; F390-F423 HydrophobicContact CZ-CE2 4.4Å; F390-F423 HydrophobicContact CZ-CZ 4.2Å; F419-F423 HydrophobicContact CB-CD2 3.9Å; F419-F423 HydrophobicContact CB-CE2 4.47Å; F419-F423 AromaticContact CD1-CD2 3.81Å; F419-F423 HydrophobicContact CD1-CD2 3.81Å; F419-F423 AromaticContact CD1-CE2 3.51Å; F419-F423 HydrophobicContact CD1-CE2 3.51Å; F419-F423 HydrophobicContact CE1-CD2 4.49Å; F419-F423 AromaticContact CE1-CE2 3.76Å; F419-F423 HydrophobicContact CE1-CE2 3.76Å; F419-F423 AromaticContact CG-CD2 3.87Å; F419-F423 HydrophobicContact CG-CD2 3.87Å; F419-F423 AromaticContact CG-CE2 3.94Å; F419-F423 HydrophobicContact CG-CE2 3.94Å; F419-F423 HydrophobicContact CZ-CE2 4.37Å; F419-F423 WeakPolarHBondContact O-CA 3.44Å; F419-F423 WeakPolarHBondContact O-CB 3.36Å; F419-F423 PolarHBondContact O-N 3.22Å; F423-H427 HydrophobicContact CB-CB 3.55Å; F423-H427 VanDerWaalsContact CB-CG 3.47Å; F423-H427 AromaticContact CG-ND1 3.82Å; F423-Y429 HydrophobicContact CD2-CD2 4.4Å; F423-Y429 AromaticContact CE2-CD2 3.88Å; F423-Y429 HydrophobicContact CE2-CD2 3.88Å; F423-Y429 HydrophobicContact CZ-CD2 4.07Å
424G90.9Very high94.6Very high2 Ų229.9 Ų29.92%0.02114%0.143CC..  trans100.1164.5-176.900000113.9F419 E420 D426 H427 Y430F419-G424 PolarHBondContact O-N 2.94Å; E420-G424 VanDerWaalsContact O-CA 3.23Å; E420-G424 WeakPolarHBondContact O-CA 3.38Å; E420-G424 PolarHBondContact O-N 3.34Å; G424-D426 VanDerWaalsContact C-N 3.3Å; G424-D426 PolarHBondContact O-N 3.18Å; G424-H427 WeakPolarHBondContact O-CB 3.36Å; G424-H427 PolarHBondContact O-N 2.91Å; G424-Y430 WeakPolarHBondContact O-CB 3.33Å
425L91.4Very high94.6Very high86 Ų8628.3 Ų28.345%0.4514%0.141SC..THydrogen-bonded Turntrans-67.4-27.9-173.6-65.1173.1000113.7E420 H427 Y430 L431 L465E420-L425 HydrophobicContact CG-CD2 3.81Å; L425-H427 VanDerWaalsContact C-N 3.33Å; L425-Y430 HydrophobicContact CB-CE1 4.24Å; L425-Y430 HydrophobicContact CD2-CD1 4.34Å; L425-Y430 HydrophobicContact CD2-CE1 3.57Å; L425-Y430 HydrophobicContact CD2-CE2 4.13Å; L425-Y430 VanDerWaalsContact CD2-CZ 3.43Å; L425-Y430 WeakPolarHBondContact CD2-OH 3.42Å; L425-Y430 WeakPolarHBondContact O-CD1 3.23Å; L425-L431 WeakPolarHBondContact O-CD2 3.38Å; L425-L465 HydrophobicContact CB-CD1 4.39Å; L425-L465 WeakPolarHBondContact O-CD1 3.36Å
426D90.9Very high94.6Very high62 Ų6228.3 Ų28.333%0.33214%0.141SC..THydrogen-bonded Turntrans-85.7-6.4179.361.2-23.8000113G424 V463 L465G424-D426 VanDerWaalsContact C-N 3.3Å; G424-D426 PolarHBondContact O-N 3.18Å; D426-V463 WeakPolarHBondContact CB-O 3.34Å; D426-V463 PolarHBondContact O-N 3.37Å; D426-L465 HydrophobicContact CB-CD1 4.09Å; D426-L465 HydrophobicContact CB-CG 4.18Å
427H92.8Very high94.6Very high9 Ų930.5 Ų30.54%0.04215%0.149CC..SBendtrans-78.5134-177-166.9-93.5000111.9N173 F423 G424 L425 Y429 Y430 L431N173-H427 PolarHBondContact ND2-NE2 3.03Å; F423-H427 HydrophobicContact CB-CB 3.55Å; F423-H427 VanDerWaalsContact CB-CG 3.47Å; F423-H427 AromaticContact CG-ND1 3.82Å; G424-H427 WeakPolarHBondContact O-CB 3.36Å; G424-H427 PolarHBondContact O-N 2.91Å; L425-H427 VanDerWaalsContact C-N 3.33Å; H427-Y429 AromaticContact CE1-CD1 3.62Å; H427-Y429 AromaticContact CE1-CD2 3.62Å; H427-Y429 AromaticContact CE1-CG 3.37Å; H427-Y429 WeakPolarHBondContact ND1-CB 3.39Å; H427-Y429 AromaticContact ND1-CG 3.6Å; H427-Y429 PolarHBondContact ND1-N 3.25Å; H427-Y429 VanDerWaalsContact ND1-N 3.15Å; H427-Y429 PolarHBondContact O-N 3.01Å; H427-Y429 VanDerWaalsContact O-N 3.14Å; H427-Y430 PolarHBondContact O-N 3.27Å; H427-Y430 VanDerWaalsContact O-N 3.08Å; H427-L431 PolarHBondContact O-N 2.91Å; H427-L431 VanDerWaalsContact O-N 3.09Å
428P91.7Very high94.6Very high9 Ų928.4 Ų28.46%0.05815%0.148CC..Hα-helixtrans-53.1-38.1-179.6-28.634.7000114.2Y430 L431 Q432 Y459 R461 V463P428-Y430 VanDerWaalsContact C-N 3.34Å; P428-Y430 PolarHBondContact O-N 3.45Å; P428-L431 PolarHBondContact O-N 2.7Å; P428-Q432 WeakPolarHBondContact O-CB 3.26Å; P428-Q432 VanDerWaalsContact O-CG 3.31Å; P428-Q432 WeakPolarHBondContact O-CG 3.39Å; P428-Q432 PolarHBondContact O-N 3.18Å; P428-Q432 PolarHBondContact O-OE1 3.46Å; P428-Y459 HydrophobicContact CB-CD1 4.15Å; P428-Y459 VanDerWaalsContact CB-O 3.32Å; P428-Y459 WeakPolarHBondContact CB-O 3.39Å; P428-Y459 HydrophobicContact CG-CD1 3.58Å; P428-Y459 HydrophobicContact CG-CE1 4.09Å; P428-R461 WeakPolarHBondContact CD-O 3.36Å; P428-R461 WeakPolarHBondContact CG-O 3.38Å; P428-V463 HydrophobicContact CG-CG2 4.37Å
429Y94.2Very high94.7Very high4 Ų431.2 Ų31.22%0.01616%0.16CC..Hα-helixtrans-67.9-36.9-177.6-61.12.7000111.8N173 L174 F390 F423 H427 T433 F457 Y459N173-Y429 HydrophobicContact CB-CD2 4.29Å; N173-Y429 HydrophobicContact CB-CE2 3.48Å; N173-Y429 VanDerWaalsContact CB-CE2 3.48Å; L174-Y429 HydrophobicContact CD2-CE2 4.17Å; L174-Y429 VanDerWaalsContact CD2-OH 3.29Å; L174-Y429 WeakPolarHBondContact CD2-OH 3.42Å; L174-Y429 WeakPolarHBondContact CG-OH 3.33Å; F390-Y429 HydrophobicContact CE1-CD2 4.28Å; F390-Y429 HydrophobicContact CE1-CE2 4.35Å; F390-Y429 HydrophobicContact CZ-CD2 4.01Å; F390-Y429 AromaticContact CZ-CE2 3.99Å; F390-Y429 HydrophobicContact CZ-CE2 3.99Å; F423-Y429 HydrophobicContact CD2-CD2 4.4Å; F423-Y429 AromaticContact CE2-CD2 3.88Å; F423-Y429 HydrophobicContact CE2-CD2 3.88Å; F423-Y429 HydrophobicContact CZ-CD2 4.07Å; H427-Y429 AromaticContact CE1-CD1 3.62Å; H427-Y429 AromaticContact CE1-CD2 3.62Å; H427-Y429 AromaticContact CE1-CG 3.37Å; H427-Y429 WeakPolarHBondContact ND1-CB 3.39Å; H427-Y429 AromaticContact ND1-CG 3.6Å; H427-Y429 PolarHBondContact ND1-N 3.25Å; H427-Y429 VanDerWaalsContact ND1-N 3.15Å; H427-Y429 PolarHBondContact O-N 3.01Å; H427-Y429 VanDerWaalsContact O-N 3.14Å; Y429-T433 VanDerWaalsContact O-CB 3.24Å; Y429-T433 WeakPolarHBondContact O-CB 3.35Å; Y429-T433 PolarHBondContact O-N 2.95Å; Y429-T433 PolarHBondContact O-OG1 2.9Å; Y429-F457 HydrophobicContact CD1-CB 3.92Å; Y429-F457 AromaticContact CD1-CD1 3.37Å; Y429-F457 HydrophobicContact CD1-CD1 3.37Å; Y429-F457 HydrophobicContact CD1-CE1 4.1Å; Y429-F457 AromaticContact CD1-CG 3.77Å; Y429-F457 HydrophobicContact CD1-CG 3.77Å; Y429-F457 HydrophobicContact CD2-CD1 4.33Å; Y429-F457 HydrophobicContact CD2-CD2 4.47Å; Y429-F457 HydrophobicContact CD2-CG 4.21Å; Y429-F457 HydrophobicContact CE1-CB 3.49Å; Y429-F457 VanDerWaalsContact CE1-CB 3.49Å; Y429-F457 AromaticContact CE1-CD1 3.9Å; Y429-F457 HydrophobicContact CE1-CD1 3.9Å; Y429-F457 AromaticContact CE1-CG 3.87Å; Y429-F457 HydrophobicContact CE1-CG 3.87Å; Y429-F457 HydrophobicContact CE2-CB 4.17Å; Y429-F457 HydrophobicContact CE2-CG 4.25Å; Y429-F457 HydrophobicContact CG-CB 4.48Å; Y429-F457 AromaticContact CG-CD1 3.66Å; Y429-F457 HydrophobicContact CG-CD1 3.66Å; Y429-F457 HydrophobicContact CG-CE1 4.02Å; Y429-F457 AromaticContact CG-CG 3.98Å; Y429-F457 HydrophobicContact CG-CG 3.98Å; Y429-Y459 VanDerWaalsContact CE1-O 3.3Å; Y429-Y459 WeakPolarHBondContact CE1-O 3.25Å
430Y95.3Very high94.9Very high25 Ų2531.6 Ų31.610%0.09816%0.162CC..Hα-helixtrans-64.3-50.5171.6164.5-99.7000109.9M416 E420 G424 L425 H427 P428 Q432 T433 L434M416-Y430 HydrophobicContact CG-CD2 4.1Å; M416-Y430 HydrophobicContact CG-CE2 3.78Å; M416-Y430 HydrophobicContact SD-CE2 4.43Å; E420-Y430 HydrophobicContact CB-CD2 3.67Å; E420-Y430 HydrophobicContact CB-CE2 3.67Å; E420-Y430 HydrophobicContact CG-CD2 4.41Å; E420-Y430 HydrophobicContact CG-CE2 4.07Å; G424-Y430 WeakPolarHBondContact O-CB 3.33Å; L425-Y430 HydrophobicContact CB-CE1 4.24Å; L425-Y430 HydrophobicContact CD2-CD1 4.34Å; L425-Y430 HydrophobicContact CD2-CE1 3.57Å; L425-Y430 HydrophobicContact CD2-CE2 4.13Å; L425-Y430 VanDerWaalsContact CD2-CZ 3.43Å; L425-Y430 WeakPolarHBondContact CD2-OH 3.42Å; L425-Y430 WeakPolarHBondContact O-CD1 3.23Å; H427-Y430 PolarHBondContact O-N 3.27Å; H427-Y430 VanDerWaalsContact O-N 3.08Å; P428-Y430 VanDerWaalsContact C-N 3.34Å; P428-Y430 PolarHBondContact O-N 3.45Å; Y430-Q432 PolarHBondContact O-N 3.23Å; Y430-T433 CarbonylContact O-C 3.56Å; Y430-T433 PolarHBondContact O-N 2.93Å; Y430-T433 VanDerWaalsContact O-N 3.13Å; Y430-L434 HydrophobicContact CE1-CD2 3.99Å; Y430-L434 VanDerWaalsContact O-CB 3.29Å; Y430-L434 WeakPolarHBondContact O-CB 3.49Å; Y430-L434 PolarHBondContact O-N 3.38Å
431L95.4Very high95Very high47 Ų4733.2 Ų33.225%0.24617%0.172CC..Hα-helixtrans-61.2-42.1-177.6-65.4172.3000112.9L425 H427 P428 A435 V463 L465L425-L431 WeakPolarHBondContact O-CD2 3.38Å; H427-L431 PolarHBondContact O-N 2.91Å; H427-L431 VanDerWaalsContact O-N 3.09Å; P428-L431 PolarHBondContact O-N 2.7Å; L431-A435 WeakPolarHBondContact O-CB 3.45Å; L431-A435 PolarHBondContact O-N 3.38Å; L431-V463 HydrophobicContact CD1-CB 3.9Å; L431-V463 HydrophobicContact CD1-CG1 4.45Å; L431-V463 HydrophobicContact CD1-CG2 3.71Å; L431-L465 HydrophobicContact CD1-CD2 4.19Å; L431-L465 HydrophobicContact CD2-CD2 4.3Å
432Q95.7Very high95.2Very high44 Ų4434.6 Ų34.621%0.20619%0.186CC..Hα-helixtrans-64.3-41.6175.2-75.8177.6-7800111.5P428 Y430 A435 L436 L454 E456 F457P428-Q432 WeakPolarHBondContact O-CB 3.26Å; P428-Q432 VanDerWaalsContact O-CG 3.31Å; P428-Q432 WeakPolarHBondContact O-CG 3.39Å; P428-Q432 PolarHBondContact O-N 3.18Å; P428-Q432 PolarHBondContact O-OE1 3.46Å; Y430-Q432 PolarHBondContact O-N 3.23Å; Q432-A435 PolarHBondContact O-N 2.8Å; Q432-L436 WeakPolarHBondContact O-CB 3.38Å; Q432-L436 PolarHBondContact O-N 2.81Å; Q432-L454 WeakPolarHBondContact CB-O 3.39Å; Q432-E456 PolarHBondContact NE2-O 3.44Å; Q432-F457 HydrophobicContact CB-CE1 4.13Å
433T97.3Very high95.4Very high1 Ų141.7 Ų41.71%0.00622%0.217CC..Hα-helixtrans-73.3-34.9179.4-53.20000112.1L393 A415 M416 F419 Y429 Y430 L436 W437L393-T433 HydrophobicContact CD2-CG2 4.03Å; A415-T433 HydrophobicContact CB-CG2 4.04Å; M416-T433 HydrophobicContact CB-CG2 3.91Å; F419-T433 HydrophobicContact CD2-CG2 4.4Å; F419-T433 WeakPolarHBondContact CD2-OG1 3.46Å; Y429-T433 VanDerWaalsContact O-CB 3.24Å; Y429-T433 WeakPolarHBondContact O-CB 3.35Å; Y429-T433 PolarHBondContact O-N 2.95Å; Y429-T433 PolarHBondContact O-OG1 2.9Å; Y430-T433 CarbonylContact O-C 3.56Å; Y430-T433 PolarHBondContact O-N 2.93Å; Y430-T433 VanDerWaalsContact O-N 3.13Å; T433-L436 PolarHBondContact O-N 3.17Å; T433-W437 WeakPolarHBondContact O-CB 3.11Å; T433-W437 PolarHBondContact O-N 2.63Å
434L97.6Very high95.5Very high47 Ų4742.7 Ų42.725%0.24623%0.226CC..Hα-helixtrans-58.9-51.5170173.366.9000109.8M416 Y430 L436 W437 T438M416-L434 HydrophobicContact CG-CB 4.19Å; M416-L434 HydrophobicContact CG-CD1 4.43Å; M416-L434 HydrophobicContact SD-CB 4.31Å; M416-L434 HydrophobicContact SD-CD1 3.49Å; M416-L434 WeakPolarHBondContact SD-CD1 3.48Å; Y430-L434 HydrophobicContact CE1-CD2 3.99Å; Y430-L434 VanDerWaalsContact O-CB 3.29Å; Y430-L434 WeakPolarHBondContact O-CB 3.49Å; Y430-L434 PolarHBondContact O-N 3.38Å; L434-L436 VanDerWaalsContact C-N 3.35Å; L434-L436 PolarHBondContact O-N 3.12Å; L434-W437 HydrophobicContact CD1-CE3 3.95Å; L434-W437 HydrophobicContact CD1-CZ3 4.03Å; L434-W437 PolarHBondContact O-N 3.06Å; L434-T438 WeakPolarHBondContact O-CB 3.4Å; L434-T438 PolarHBondContact O-N 3.44Å; L434-T438 PolarHBondContact O-OG1 3.41Å
435A97.1Very high95.6Very high29 Ų2952.9 Ų52.924%0.2427%0.27CS..Hα-helixtrans-59.2-44.4176.600000112.1L431 Q432 T438 F439 L454L431-A435 WeakPolarHBondContact O-CB 3.45Å; L431-A435 PolarHBondContact O-N 3.38Å; Q432-A435 PolarHBondContact O-N 2.8Å; A435-T438 PolarHBondContact O-N 3.37Å; A435-F439 HydrophobicContact CB-CE2 4.15Å; A435-F439 WeakPolarHBondContact O-CD2 3.44Å; A435-F439 VanDerWaalsContact O-CG 3.31Å; A435-F439 WeakPolarHBondContact O-CG 3.33Å; A435-F439 PolarHBondContact O-N 3.25Å; A435-L454 HydrophobicContact CB-CD1 4.44Å; A435-L454 HydrophobicContact CB-CD2 4.39Å
436L98.3Very high95.8Very high0 Ų051.9 Ų51.90%026%0.262CS..Hα-helixtrans-57.3-51.5176.217464.4000111.5L393 V396 I400 Q432 T433 L434 F439 L440 L451 L454 M455L393-L436 HydrophobicContact CD2-CD2 3.87Å; V396-L436 HydrophobicContact CG1-CD2 4.03Å; I400-L436 HydrophobicContact CD1-CD1 4.23Å; Q432-L436 WeakPolarHBondContact O-CB 3.38Å; Q432-L436 PolarHBondContact O-N 2.81Å; T433-L436 PolarHBondContact O-N 3.17Å; L434-L436 VanDerWaalsContact C-N 3.35Å; L434-L436 PolarHBondContact O-N 3.12Å; L436-F439 PolarHBondContact O-N 3.3Å; L436-L440 HydrophobicContact CD1-CD1 4Å; L436-L440 HydrophobicContact CD1-CG 4.37Å; L436-L440 HydrophobicContact CG-CD1 4.08Å; L436-L440 VanDerWaalsContact O-CG 3.29Å; L436-L440 WeakPolarHBondContact O-CG 3.44Å; L436-L440 PolarHBondContact O-N 3.22Å; L436-L451 HydrophobicContact CD1-CB 4.16Å; L436-L451 HydrophobicContact CD1-CD2 4.18Å; L436-L454 HydrophobicContact CB-CB 4.16Å; L436-L454 HydrophobicContact CB-CD1 4.09Å; L436-L454 HydrophobicContact CD1-CD1 4.44Å; L436-M455 HydrophobicContact CD2-CG 3.56Å; L436-M455 HydrophobicContact CD2-SD 3.84Å
437W98.3Very high96Very high55 Ų5551.4 Ų51.421%0.20826%0.264CS..Hα-helixtrans-60.9-48.4177.6166.464.6000111.3A412 Y413 M416 T433 L434 F439 L440 D441A412-W437 HydrophobicContact CB-CB 3.97Å; Y413-W437 HydrophobicContact CD2-CD2 4.11Å; Y413-W437 AromaticContact CD2-CE2 3.61Å; Y413-W437 HydrophobicContact CD2-CH2 4.36Å; Y413-W437 AromaticContact CD2-CZ2 3.75Å; Y413-W437 HydrophobicContact CD2-CZ2 3.75Å; Y413-W437 AromaticContact CD2-NE1 3.82Å; Y413-W437 HydrophobicContact CE2-CZ2 4.19Å; M416-W437 HydrophobicContact CE-CE3 4.47Å; M416-W437 HydrophobicContact SD-CD2 4.18Å; M416-W437 HydrophobicContact SD-CE3 3.54Å; M416-W437 VanDerWaalsContact SD-CE3 3.54Å; M416-W437 HydrophobicContact SD-CZ3 3.98Å; T433-W437 WeakPolarHBondContact O-CB 3.11Å; T433-W437 PolarHBondContact O-N 2.63Å; L434-W437 HydrophobicContact CD1-CE3 3.95Å; L434-W437 HydrophobicContact CD1-CZ3 4.03Å; L434-W437 PolarHBondContact O-N 3.06Å; W437-F439 VanDerWaalsContact C-N 3.33Å; W437-F439 PolarHBondContact O-N 3.26Å; W437-L440 PolarHBondContact O-N 3.09Å; W437-L440 VanDerWaalsContact O-N 3.13Å; W437-D441 VanDerWaalsContact O-CB 3.31Å; W437-D441 WeakPolarHBondContact O-CB 3.45Å; W437-D441 PolarHBondContact O-N 3.48Å
438T97.9Very high96.1Very high62 Ų6253.1 Ų53.138%0.3827%0.273SS..Hα-helixtrans-57.7-42.9179-59.90000112L434 A435 S442L434-T438 WeakPolarHBondContact O-CB 3.4Å; L434-T438 PolarHBondContact O-N 3.44Å; L434-T438 PolarHBondContact O-OG1 3.41Å; A435-T438 PolarHBondContact O-N 3.37Å; T438-S442 VanDerWaalsContact O-CB 3.27Å; T438-S442 WeakPolarHBondContact O-CB 3.41Å; T438-S442 PolarHBondContact O-N 3.15Å; T438-S442 PolarHBondContact O-OG 3.47Å
439F98.2Very high96.2Very high65 Ų6558.4 Ų58.429%0.28530%0.297SS..Hα-helixtrans-67.7-36.7177.3-67.2-43.3000113.1A435 L436 W437 K443 A444 K446 L451 L454A435-F439 HydrophobicContact CB-CE2 4.15Å; A435-F439 WeakPolarHBondContact O-CD2 3.44Å; A435-F439 VanDerWaalsContact O-CG 3.31Å; A435-F439 WeakPolarHBondContact O-CG 3.33Å; A435-F439 PolarHBondContact O-N 3.25Å; L436-F439 PolarHBondContact O-N 3.3Å; W437-F439 VanDerWaalsContact C-N 3.33Å; W437-F439 PolarHBondContact O-N 3.26Å; F439-K443 PolarHBondContact O-N 3.28Å; F439-A444 HydrophobicContact CB-CB 4.12Å; F439-A444 HydrophobicContact CD1-CB 3.7Å; F439-A444 HydrophobicContact CG-CB 4.32Å; F439-A444 PolarHBondContact O-N 3.47Å; F439-K446 HydrophobicContact CB-CG 4.36Å; F439-K446 HydrophobicContact CD1-CG 4.29Å; F439-K446 HydrophobicContact CD2-CG 4.37Å; F439-K446 HydrophobicContact CG-CG 4.1Å; F439-L451 HydrophobicContact CB-CD2 3.85Å; F439-L451 HydrophobicContact CD2-CD2 4.46Å; F439-L454 HydrophobicContact CD2-CD1 3.66Å; F439-L454 HydrophobicContact CE2-CD1 3.91Å
440L97.9Very high96.3Very high9 Ų962 Ų625%0.04731%0.314CS..Hα-helixtrans-67.7-46.9175.5-71.3169.7000111.4V396 I400 R405 A408 V409 A412 L436 W437 K443 L451V396-L440 HydrophobicContact CG1-CD1 4.14Å; I400-L440 HydrophobicContact CD1-CD2 4.46Å; I400-L440 HydrophobicContact CG1-CD2 4.39Å; R405-L440 HydrophobicContact CB-CD2 4Å; R405-L440 HydrophobicContact CG-CD2 4.22Å; A408-L440 HydrophobicContact CB-CD1 4.2Å; V409-L440 HydrophobicContact CG2-CB 4Å; A412-L440 HydrophobicContact CB-CD1 3.81Å; L436-L440 HydrophobicContact CD1-CD1 4Å; L436-L440 HydrophobicContact CD1-CG 4.37Å; L436-L440 HydrophobicContact CG-CD1 4.08Å; L436-L440 VanDerWaalsContact O-CG 3.29Å; L436-L440 WeakPolarHBondContact O-CG 3.44Å; L436-L440 PolarHBondContact O-N 3.22Å; W437-L440 PolarHBondContact O-N 3.09Å; W437-L440 VanDerWaalsContact O-N 3.13Å; L440-K443 PolarHBondContact O-N 3.26Å; L440-L451 HydrophobicContact CD2-CD1 4.02Å
441D97.9Very high96.3Very high92 Ų9260.9 Ų60.949%0.49231%0.31SS..Hα-helixtrans-67.2-44.7-176.7-169.264000112.1V409 W437 K443V409-D441 HydrophobicContact CG1-CB 4.07Å; V409-D441 WeakPolarHBondContact CG1-OD1 3.35Å; W437-D441 VanDerWaalsContact O-CB 3.31Å; W437-D441 WeakPolarHBondContact O-CB 3.45Å; W437-D441 PolarHBondContact O-N 3.48Å; D441-K443 PolarHBondContact O-N 3.34Å
442S97.1Very high96.2Very high72 Ų7260 Ų6050%0.50331%0.305SS..THydrogen-bonded Turntrans-76.1-0.7176.863.20000114.5T438 A444T438-S442 VanDerWaalsContact O-CB 3.27Å; T438-S442 WeakPolarHBondContact O-CB 3.41Å; T438-S442 PolarHBondContact O-N 3.15Å; T438-S442 PolarHBondContact O-OG 3.47Å; S442-A444 PolarHBondContact O-N 3.36Å
443K95.2Very high96.1Very high149 Ų14962.8 Ų62.865%0.64832%0.317SS*.THydrogen-bonded Turntrans50.439.1-172.4-53.8-170.5-174.6-163.80112.5E406 F439 L440 D441E406-K443 IonicContact OE1-NZ 3.44Å; E406-K443 PolarHBondContact OE1-NZ 3.29Å; F439-K443 PolarHBondContact O-N 3.28Å; L440-K443 PolarHBondContact O-N 3.26Å; D441-K443 PolarHBondContact O-N 3.34Å
444A94Very high95.9Very high28 Ų2864.5 Ų64.523%0.23133%0.325CS..  trans-58.6146.3-178.900000111.5F439 S442 K446F439-A444 HydrophobicContact CB-CB 4.12Å; F439-A444 HydrophobicContact CD1-CB 3.7Å; F439-A444 HydrophobicContact CG-CB 4.32Å; F439-A444 PolarHBondContact O-N 3.47Å; S442-A444 PolarHBondContact O-N 3.36Å; A444-K446 HydrophobicContact CB-CG 4.33Å; A444-K446 PolarHBondContact O-N 3.46Å
445K93.9Very high95.7Very high215 Ų21563.3 Ų63.394%0.93532%0.319SS*.SBendtrans-7276.1176.9-66-175.5-178.5-179.60110.9
446K95.3Very high95.2Very high66 Ų6666.3 Ų66.329%0.28733%0.328SS..  trans-117.5138.5176.2-68.4-60.3-170.8-176.30111.4R405 F439 A444 E450 L451R405-K446 VanDerWaalsContact CZ-O 3.28Å; R405-K446 PolarHBondContact NH1-O 2.94Å; R405-K446 PolarHBondContact NH2-O 3.34Å; F439-K446 HydrophobicContact CB-CG 4.36Å; F439-K446 HydrophobicContact CD1-CG 4.29Å; F439-K446 HydrophobicContact CD2-CG 4.37Å; F439-K446 HydrophobicContact CG-CG 4.1Å; A444-K446 HydrophobicContact CB-CG 4.33Å; A444-K446 PolarHBondContact O-N 3.46Å; K446-E450 WeakPolarHBondContact CA-OE2 3.34Å; K446-E450 HydrophobicContact CB-CB 4.41Å; K446-E450 HydrophobicContact CD-CB 4.29Å; K446-E450 VanDerWaalsContact CD-OE1 3.28Å; K446-E450 WeakPolarHBondContact CD-OE1 3.38Å; K446-E450 IonicContact NZ-OE1 3.31Å; K446-E450 PolarHBondContact NZ-OE1 2.79Å; K446-L451 HydrophobicContact CB-CD2 3.91Å; K446-L451 HydrophobicContact CB-CG 3.99Å; K446-L451 HydrophobicContact CG-CD2 4.41Å
447S95.7Very high94.7Very high52 Ų5267.1 Ų67.136%0.36433%0.331SS..  trans-68.2161173.281.80000110.9E449 E450 L451S447-E449 VanDerWaalsContact C-N 3.25Å; S447-E449 PolarHBondContact O-N 3.12Å; S447-E449 PolarHBondContact OG-N 3.39Å; S447-E450 PolarHBondContact N-OE2 3.02Å; S447-E450 PolarHBondContact O-N 3.2Å; S447-E450 WeakPolarHBondContact OG-CG 3.28Å; S447-E450 PolarHBondContact OG-N 3.22Å; S447-L451 WeakPolarHBondContact O-CG 3.44Å; S447-L451 PolarHBondContact O-N 3.48Å
448N93.7Very high93.8Very high44 Ų4469.2 Ų69.224%0.23535%0.347CS..Hα-helixtrans-59.3-42.2173.7-78.2-5.9000110.1I400 N403 R405 E450 L451 L452I400-N448 HydrophobicContact CG2-CB 3.97Å; I400-N448 PolarHBondContact O-ND2 2.91Å; N403-N448 PolarHBondContact OD1-ND2 3Å; R405-N448 PolarHBondContact NE-OD1 2.79Å; R405-N448 PolarHBondContact NH2-OD1 3.41Å; N448-E450 PolarHBondContact O-N 2.82Å; N448-L451 PolarHBondContact O-N 3.27Å; N448-L452 WeakPolarHBondContact O-CB 3.45Å; N448-L452 WeakPolarHBondContact O-CG 3.38Å; N448-L452 PolarHBondContact O-N 3.06Å
449E94.1Very high92.9Very high120 Ų12071.5 Ų71.556%0.56135%0.349SS*.Hα-helixtrans-59.7-43.9177.9-168.6-170157.500112.6S447 L451 L452 K453S447-E449 VanDerWaalsContact C-N 3.25Å; S447-E449 PolarHBondContact O-N 3.12Å; S447-E449 PolarHBondContact OG-N 3.39Å; E449-L451 VanDerWaalsContact C-N 3.33Å; E449-L451 PolarHBondContact O-N 2.86Å; E449-L452 PolarHBondContact O-N 2.85Å; E449-K453 WeakPolarHBondContact O-CG 3.38Å; E449-K453 PolarHBondContact O-N 3.41Å; E449-K453 WeakPolarHBondContact OE1-CE 3.36Å; E449-K453 IonicContact OE1-NZ 2.73Å; E449-K453 PolarHBondContact OE1-NZ 2.9Å
450E96.1Very high92Very high79 Ų7969.7 Ų69.737%0.36935%0.345SS..Hα-helixtrans-60.5-41.6176.3-75.1178.5100.300112.1K446 S447 N448K446-E450 WeakPolarHBondContact CA-OE2 3.34Å; K446-E450 HydrophobicContact CB-CB 4.41Å; K446-E450 HydrophobicContact CD-CB 4.29Å; K446-E450 VanDerWaalsContact CD-OE1 3.28Å; K446-E450 WeakPolarHBondContact CD-OE1 3.38Å; K446-E450 IonicContact NZ-OE1 3.31Å; K446-E450 PolarHBondContact NZ-OE1 2.79Å; S447-E450 PolarHBondContact N-OE2 3.02Å; S447-E450 PolarHBondContact O-N 3.2Å; S447-E450 WeakPolarHBondContact OG-CG 3.28Å; S447-E450 PolarHBondContact OG-N 3.22Å; N448-E450 PolarHBondContact O-N 2.82Å
451L95.8Very high91.4Very high2 Ų270.7 Ų70.71%0.0135%0.348CS..Hα-helixtrans-69.7-40.5177.4-64.7173.2000111.8I400 L436 F439 L440 K446 S447 N448 E449 K453 L454I400-L451 HydrophobicContact CD1-CB 4.05Å; I400-L451 HydrophobicContact CD1-CD1 4.46Å; L436-L451 HydrophobicContact CD1-CB 4.16Å; L436-L451 HydrophobicContact CD1-CD2 4.18Å; F439-L451 HydrophobicContact CB-CD2 3.85Å; F439-L451 HydrophobicContact CD2-CD2 4.46Å; L440-L451 HydrophobicContact CD2-CD1 4.02Å; K446-L451 HydrophobicContact CB-CD2 3.91Å; K446-L451 HydrophobicContact CB-CG 3.99Å; K446-L451 HydrophobicContact CG-CD2 4.41Å; S447-L451 WeakPolarHBondContact O-CG 3.44Å; S447-L451 PolarHBondContact O-N 3.48Å; N448-L451 PolarHBondContact O-N 3.27Å; E449-L451 VanDerWaalsContact C-N 3.33Å; E449-L451 PolarHBondContact O-N 2.86Å; L451-K453 VanDerWaalsContact C-N 3.34Å; L451-K453 PolarHBondContact O-N 3.38Å; L451-L454 WeakPolarHBondContact O-CB 3.36Å; L451-L454 PolarHBondContact O-N 3.04Å
452L93.1Very high90.8Very high29 Ų2968.5 Ų68.515%0.15234%0.339CS..Hα-helixtrans-65.1-37.1178.8-68.6-178.1000112R397 I400 V401 N448 E449 L454 M455R397-L452 HydrophobicContact CB-CD2 4.27Å; R397-L452 HydrophobicContact CG-CD2 3.79Å; I400-L452 HydrophobicContact CB-CD2 4.35Å; I400-L452 HydrophobicContact CD1-CD2 4.47Å; I400-L452 HydrophobicContact CG2-CD2 4.1Å; I400-L452 HydrophobicContact CG2-CG 4.31Å; V401-L452 HydrophobicContact CG2-CD1 4.23Å; N448-L452 WeakPolarHBondContact O-CB 3.45Å; N448-L452 WeakPolarHBondContact O-CG 3.38Å; N448-L452 PolarHBondContact O-N 3.06Å; E449-L452 PolarHBondContact O-N 2.85Å; L452-L454 PolarHBondContact O-N 2.61Å; L452-M455 HydrophobicContact CD2-CE 3.36Å; L452-M455 HydrophobicContact CG-CE 4.48Å; L452-M455 PolarHBondContact O-N 3.15Å
453K93.1Very high90.3Very high103 Ų10367.1 Ų67.145%0.44833%0.327SS..Hα-helixtrans-59.5-27.6174.4-78.8175.5-178.3167.50113.5E449 L451 M455 E456E449-K453 WeakPolarHBondContact O-CG 3.38Å; E449-K453 PolarHBondContact O-N 3.41Å; E449-K453 WeakPolarHBondContact OE1-CE 3.36Å; E449-K453 IonicContact OE1-NZ 2.73Å; E449-K453 PolarHBondContact OE1-NZ 2.9Å; L451-K453 VanDerWaalsContact C-N 3.34Å; L451-K453 PolarHBondContact O-N 3.38Å; K453-M455 PolarHBondContact O-N 3.36Å; K453-E456 WeakPolarHBondContact O-CB 3.39Å; K453-E456 PolarHBondContact O-N 2.97Å
454L94.1Very high89.8Confident36 Ų3665 Ų6519%0.18832%0.323CS..THydrogen-bonded Turntrans-69.6-19.6175.8-65.4169.9000112.8Q432 A435 L436 F439 L451 L452Q432-L454 WeakPolarHBondContact CB-O 3.39Å; A435-L454 HydrophobicContact CB-CD1 4.44Å; A435-L454 HydrophobicContact CB-CD2 4.39Å; L436-L454 HydrophobicContact CB-CB 4.16Å; L436-L454 HydrophobicContact CB-CD1 4.09Å; L436-L454 HydrophobicContact CD1-CD1 4.44Å; F439-L454 HydrophobicContact CD2-CD1 3.66Å; F439-L454 HydrophobicContact CE2-CD1 3.91Å; L451-L454 WeakPolarHBondContact O-CB 3.36Å; L451-L454 PolarHBondContact O-N 3.04Å; L452-L454 PolarHBondContact O-N 2.61Å
455M92.4Very high89.3Confident22 Ų2266.1 Ų66.111%0.10833%0.325CS..THydrogen-bonded Turntrans-92.82.9174.4-62.4178.8-7200112.7L393 V396 R397 I400 L436 L452 K453 F457L393-M455 HydrophobicContact CB-SD 4.15Å; L393-M455 HydrophobicContact CD2-CG 4.27Å; L393-M455 HydrophobicContact CD2-SD 4.19Å; V396-M455 HydrophobicContact CB-SD 4.33Å; V396-M455 HydrophobicContact CG1-SD 4.04Å; R397-M455 HydrophobicContact CB-CE 3.78Å; R397-M455 HydrophobicContact CB-SD 4.22Å; R397-M455 HydrophobicContact CG-CE 4.37Å; I400-M455 HydrophobicContact CD1-CE 4.17Å; L436-M455 HydrophobicContact CD2-CG 3.56Å; L436-M455 HydrophobicContact CD2-SD 3.84Å; L452-M455 HydrophobicContact CD2-CE 3.36Å; L452-M455 HydrophobicContact CG-CE 4.48Å; L452-M455 PolarHBondContact O-N 3.15Å; K453-M455 PolarHBondContact O-N 3.36Å; M455-F457 PolarHBondContact O-N 2.97Å
456E88Confident88.7Confident92 Ų9259.5 Ų59.543%0.4330%0.303SS..  trans-85.394.6172.6-65.4179.6-167.600110.1Q432 K453 N458Q432-E456 PolarHBondContact NE2-O 3.44Å; K453-E456 WeakPolarHBondContact O-CB 3.39Å; K453-E456 PolarHBondContact O-N 2.97Å; E456-N458 PolarHBondContact O-N 3.4Å
457F86.4Confident88.1Confident17 Ų1758.8 Ų58.88%0.07531%0.309CS..  trans-82.182.2-177.4-66.6-44.4000112L174 F390 L393 F419 Y429 Q432 M455L174-F457 HydrophobicContact CD2-CB 3.81Å; F390-F457 HydrophobicContact CD1-CD2 4.21Å; F390-F457 AromaticContact CD1-CE2 3.97Å; F390-F457 HydrophobicContact CD1-CE2 3.97Å; F390-F457 AromaticContact CE1-CD2 3.63Å; F390-F457 HydrophobicContact CE1-CD2 3.63Å; F390-F457 AromaticContact CE1-CE2 3.67Å; F390-F457 HydrophobicContact CE1-CE2 3.67Å; L393-F457 HydrophobicContact CD1-CE2 3.46Å; L393-F457 VanDerWaalsContact CD1-CE2 3.46Å; L393-F457 HydrophobicContact CD1-CZ 3.4Å; L393-F457 VanDerWaalsContact CD1-CZ 3.4Å; F419-F457 HydrophobicContact CE2-CE2 4.07Å; F419-F457 AromaticContact CE2-CZ 3.78Å; F419-F457 HydrophobicContact CE2-CZ 3.78Å; F419-F457 HydrophobicContact CZ-CE2 4.47Å; Y429-F457 HydrophobicContact CD1-CB 3.92Å; Y429-F457 AromaticContact CD1-CD1 3.37Å; Y429-F457 HydrophobicContact CD1-CD1 3.37Å; Y429-F457 HydrophobicContact CD1-CE1 4.1Å; Y429-F457 AromaticContact CD1-CG 3.77Å; Y429-F457 HydrophobicContact CD1-CG 3.77Å; Y429-F457 HydrophobicContact CD2-CD1 4.33Å; Y429-F457 HydrophobicContact CD2-CD2 4.47Å; Y429-F457 HydrophobicContact CD2-CG 4.21Å; Y429-F457 HydrophobicContact CE1-CB 3.49Å; Y429-F457 VanDerWaalsContact CE1-CB 3.49Å; Y429-F457 AromaticContact CE1-CD1 3.9Å; Y429-F457 HydrophobicContact CE1-CD1 3.9Å; Y429-F457 AromaticContact CE1-CG 3.87Å; Y429-F457 HydrophobicContact CE1-CG 3.87Å; Y429-F457 HydrophobicContact CE2-CB 4.17Å; Y429-F457 HydrophobicContact CE2-CG 4.25Å; Y429-F457 HydrophobicContact CG-CB 4.48Å; Y429-F457 AromaticContact CG-CD1 3.66Å; Y429-F457 HydrophobicContact CG-CD1 3.66Å; Y429-F457 HydrophobicContact CG-CE1 4.02Å; Y429-F457 AromaticContact CG-CG 3.98Å; Y429-F457 HydrophobicContact CG-CG 3.98Å; Q432-F457 HydrophobicContact CB-CE1 4.13Å; M455-F457 PolarHBondContact O-N 2.97Å
458N79.1Confident87.4Confident99 Ų9960.7 Ų60.753%0.52931%0.314SS..  trans-107.18.5-176-61.6-38.6000113.8E456E456-N458 PolarHBondContact O-N 3.4Å
459Y79.8Confident86.8Confident110 Ų11063.8 Ų63.843%0.43133%0.33SS..  trans-148125.4-176.4-172.6-105.9000110.6P428 Y429 R461P428-Y459 HydrophobicContact CB-CD1 4.15Å; P428-Y459 VanDerWaalsContact CB-O 3.32Å; P428-Y459 WeakPolarHBondContact CB-O 3.39Å; P428-Y459 HydrophobicContact CG-CD1 3.58Å; P428-Y459 HydrophobicContact CG-CE1 4.09Å; Y429-Y459 VanDerWaalsContact CE1-O 3.3Å; Y429-Y459 WeakPolarHBondContact CE1-O 3.25Å; Y459-R461 HydrophobicContact CE1-CB 3.78Å; Y459-R461 WeakPolarHBondContact CE1-O 3.45Å; Y459-R461 HydrophobicContact CE2-CB 4.15Å; Y459-R461 HydrophobicContact CE2-CG 4.41Å; Y459-R461 WeakPolarHBondContact OH-CB 3.43Å
460S79.1Confident86.3Confident28 Ų2865.5 Ų65.520%0.19633%0.332CS..  trans-113.5-8.3-171.253.10000114.5
461R85Confident85.5Confident29 Ų2970 Ų7011%0.10935%0.345CS..SBendtrans-75.6132-177.9-71.5173.2-172.6-76.4-4.2110.6E35 P428 Y459E35-R461 PolarHBondContact O-NH2 3.18Å; P428-R461 WeakPolarHBondContact CD-O 3.36Å; P428-R461 WeakPolarHBondContact CG-O 3.38Å; Y459-R461 HydrophobicContact CE1-CB 3.78Å; Y459-R461 WeakPolarHBondContact CE1-O 3.45Å; Y459-R461 HydrophobicContact CE2-CB 4.15Å; Y459-R461 HydrophobicContact CE2-CG 4.41Å; Y459-R461 WeakPolarHBondContact OH-CB 3.43Å
462P85.6Confident84.7Confident46 Ų4672.4 Ų72.430%0.29937%0.366SS..PPolyproline II helixtrans-54.2142.9173.1-26.134.6000112.9
463V86.3Confident84Confident43 Ų4376.6 Ų76.626%0.26138%0.384SS..PPolyproline II helixtrans-89131.3177.4-179.50000108.9D426 P428 L431 L465 L468D426-V463 WeakPolarHBondContact CB-O 3.34Å; D426-V463 PolarHBondContact O-N 3.37Å; P428-V463 HydrophobicContact CG-CG2 4.37Å; L431-V463 HydrophobicContact CD1-CB 3.9Å; L431-V463 HydrophobicContact CD1-CG1 4.45Å; L431-V463 HydrophobicContact CD1-CG2 3.71Å; V463-L465 VanDerWaalsContact C-N 3.26Å; V463-L465 HydrophobicContact CB-CD2 4.5Å; V463-L465 HydrophobicContact CG1-CD2 4.22Å; V463-L465 PolarHBondContact O-N 3.38Å; V463-L468 HydrophobicContact CG1-CD1 3.49Å; V463-L468 VanDerWaalsContact CG1-CD1 3.49Å
464N85Confident83.2Confident104 Ų10480.4 Ų80.456%0.55640%0.396SS*.  trans-73.182.8174-171.1-24.6000110.5T466 A467 L468N464-T466 VanDerWaalsContact C-N 3.26Å; N464-T466 PolarHBondContact O-N 3.01Å; N464-T466 PolarHBondContact OD1-N 3.09Å; N464-A467 HydrophobicContact CB-CB 4.12Å; N464-A467 PolarHBondContact O-N 3.31Å; N464-A467 WeakPolarHBondContact OD1-CB 3.36Å; N464-A467 PolarHBondContact OD1-N 3.04Å; N464-L468 PolarHBondContact O-N 3.3Å
465L83Confident82.1Confident52 Ų5284 Ų8427%0.27241%0.413SS..Hα-helixtrans-59.4-37.2179.4-66.7-177.6000111.7L425 D426 L431 V463 A467 L468 L469L425-L465 HydrophobicContact CB-CD1 4.39Å; L425-L465 WeakPolarHBondContact O-CD1 3.36Å; D426-L465 HydrophobicContact CB-CD1 4.09Å; D426-L465 HydrophobicContact CB-CG 4.18Å; L431-L465 HydrophobicContact CD1-CD2 4.19Å; L431-L465 HydrophobicContact CD2-CD2 4.3Å; V463-L465 VanDerWaalsContact C-N 3.26Å; V463-L465 HydrophobicContact CB-CD2 4.5Å; V463-L465 HydrophobicContact CG1-CD2 4.22Å; V463-L465 PolarHBondContact O-N 3.38Å; L465-A467 VanDerWaalsContact C-N 3.32Å; L465-A467 PolarHBondContact O-N 3.24Å; L465-L468 HydrophobicContact CD2-CD1 4.36Å; L465-L468 CarbonylContact O-C 3.57Å; L465-L468 WeakPolarHBondContact O-CB 3.28Å; L465-L468 PolarHBondContact O-N 3.43Å; L465-L468 VanDerWaalsContact O-N 3.1Å; L465-L469 WeakPolarHBondContact O-CB 3.43Å; L465-L469 WeakPolarHBondContact O-CG 3.37Å; L465-L469 PolarHBondContact O-N 3.25Å
466T82.3Confident81Confident77 Ų7786.6 Ų86.647%0.47243%0.433SS..Hα-helixtrans-59.4-42.6177.6-52.60000112N464 L468 R470N464-T466 VanDerWaalsContact C-N 3.26Å; N464-T466 PolarHBondContact O-N 3.01Å; N464-T466 PolarHBondContact OD1-N 3.09Å; T466-L468 VanDerWaalsContact C-N 3.34Å; T466-R470 WeakPolarHBondContact O-CB 3.47Å; T466-R470 VanDerWaalsContact O-CG 3.24Å; T466-R470 WeakPolarHBondContact O-CG 3.45Å; T466-R470 PolarHBondContact O-N 3.12Å
467A82.1Confident79.8Confident50 Ų5089 Ų8941%0.41345%0.447SS..Hα-helixtrans-66.3-37.3176.200000112N464 L465 R471N464-A467 HydrophobicContact CB-CB 4.12Å; N464-A467 PolarHBondContact O-N 3.31Å; N464-A467 WeakPolarHBondContact OD1-CB 3.36Å; N464-A467 PolarHBondContact OD1-N 3.04Å; L465-A467 VanDerWaalsContact C-N 3.32Å; L465-A467 PolarHBondContact O-N 3.24Å; A467-R471 WeakPolarHBondContact O-CB 3.38Å; A467-R471 PolarHBondContact O-N 3.04Å; A467-R471 VanDerWaalsContact O-N 3.1Å
468L81.1Confident78.1Confident93 Ų9393.5 Ų93.549%0.48748%0.48SS..Hα-helixtrans-67.9-45.7176-69.1176000112.1V463 N464 L465 T466 R471 A472V463-L468 HydrophobicContact CG1-CD1 3.49Å; V463-L468 VanDerWaalsContact CG1-CD1 3.49Å; N464-L468 PolarHBondContact O-N 3.3Å; L465-L468 HydrophobicContact CD2-CD1 4.36Å; L465-L468 CarbonylContact O-C 3.57Å; L465-L468 WeakPolarHBondContact O-CB 3.28Å; L465-L468 PolarHBondContact O-N 3.43Å; L465-L468 VanDerWaalsContact O-N 3.1Å; T466-L468 VanDerWaalsContact C-N 3.34Å; L468-R471 WeakPolarHBondContact O-CB 3.47Å; L468-R471 PolarHBondContact O-N 2.99Å; L468-R471 VanDerWaalsContact O-N 3.14Å; L468-A472 PolarHBondContact O-N 2.94Å
469L81Confident76.5Confident109 Ų10998.5 Ų98.557%0.57151%0.506SS*.Hα-helixtrans-62.3-46.4177.8-70.9172.4000111.1L465 R471 A472 E473L465-L469 WeakPolarHBondContact O-CB 3.43Å; L465-L469 WeakPolarHBondContact O-CG 3.37Å; L465-L469 PolarHBondContact O-N 3.25Å; L469-R471 PolarHBondContact O-N 2.99Å; L469-A472 WeakPolarHBondContact O-CB 3.1Å; L469-A472 PolarHBondContact O-N 3.19Å; L469-A472 VanDerWaalsContact O-N 3.08Å; L469-E473 WeakPolarHBondContact O-CG 3.3Å; L469-E473 PolarHBondContact O-N 3.45Å
470R83.4Confident76.4Confident156 Ų15697.9 Ų97.959%0.58951%0.509SS*.Hα-helixtrans-58.9-34.7173.7-74.5175-178.9176.81.7112.7T466 R474T466-R470 WeakPolarHBondContact O-CB 3.47Å; T466-R470 VanDerWaalsContact O-CG 3.24Å; T466-R470 WeakPolarHBondContact O-CG 3.45Å; T466-R470 PolarHBondContact O-N 3.12Å; R470-R474 VanDerWaalsContact O-CG 3.27Å; R470-R474 WeakPolarHBondContact O-CG 3.31Å; R470-R474 PolarHBondContact O-N 2.71Å
471R79.7Confident76.2Confident173 Ų173101.6 Ų101.665%0.65353%0.526SS*.Hα-helixtrans-71.1-41.2175.5-174.1179.5179.1178.10.4111.2A467 L468 L469 R474 M475A467-R471 WeakPolarHBondContact O-CB 3.38Å; A467-R471 PolarHBondContact O-N 3.04Å; A467-R471 VanDerWaalsContact O-N 3.1Å; L468-R471 WeakPolarHBondContact O-CB 3.47Å; L468-R471 PolarHBondContact O-N 2.99Å; L468-R471 VanDerWaalsContact O-N 3.14Å; L469-R471 PolarHBondContact O-N 2.99Å; R471-R474 PolarHBondContact O-N 3.27Å; R471-M475 WeakPolarHBondContact O-CG 3.38Å; R471-M475 PolarHBondContact O-N 3.18Å; R471-M475 VanDerWaalsContact O-N 3.08Å
472A79.1Confident75.8Confident53 Ų53105.6 Ų105.644%0.43855%0.549SS..Hα-helixtrans-64.2-44.6176.600000111.7L468 L469 R474 M475 S476L468-A472 PolarHBondContact O-N 2.94Å; L469-A472 WeakPolarHBondContact O-CB 3.1Å; L469-A472 PolarHBondContact O-N 3.19Å; L469-A472 VanDerWaalsContact O-N 3.08Å; A472-R474 VanDerWaalsContact C-N 3.32Å; A472-R474 PolarHBondContact O-N 3.42Å; A472-M475 CarbonylContact O-C 3.47Å; A472-M475 WeakPolarHBondContact O-CA 3.37Å; A472-M475 WeakPolarHBondContact O-CB 3.33Å; A472-M475 PolarHBondContact O-N 2.74Å; A472-S476 PolarHBondContact O-N 2.9Å; A472-S476 PolarHBondContact O-OG 3.26Å
473E78Confident75.2Confident117 Ų117109.1 Ų109.155%0.54756%0.564SS.*Hα-helixtrans-57.5-43.9174.4-74.7172.2177.700111.8L469 M475 S476 I477L469-E473 WeakPolarHBondContact O-CG 3.3Å; L469-E473 PolarHBondContact O-N 3.45Å; E473-M475 VanDerWaalsContact C-N 3.28Å; E473-M475 PolarHBondContact O-N 3.3Å; E473-S476 WeakPolarHBondContact CA-OG 3.43Å; E473-S476 PolarHBondContact O-N 2.69Å; E473-S476 PolarHBondContact O-OG 2.78Å; E473-I477 WeakPolarHBondContact O-CD1 3.41Å; E473-I477 VanDerWaalsContact O-CG1 3.25Å; E473-I477 WeakPolarHBondContact O-CG1 3.48Å; E473-I477 PolarHBondContact O-N 2.6Å
474R75.9Confident74.5Confident182 Ų182113.3 Ų113.369%0.68758%0.583SS**Hα-helixtrans-62.6-35174.7-73.5174.6-174-166.40.6112.5R470 R471 A472 C478R470-R474 VanDerWaalsContact O-CG 3.27Å; R470-R474 WeakPolarHBondContact O-CG 3.31Å; R470-R474 PolarHBondContact O-N 2.71Å; R471-R474 PolarHBondContact O-N 3.27Å; A472-R474 VanDerWaalsContact C-N 3.32Å; A472-R474 PolarHBondContact O-N 3.42Å; R474-C478 PolarHBondContact O-N 3.01Å; R474-C478 PolarHBondContact O-SG 2.84Å
475M71.8Confident73.8Confident113 Ų113113.9 Ų113.956%0.55758%0.584SS**Hα-helixtrans-74.3-36.8177-71-179.966.600112.3R471 A472 E473 I477 C478 L479R471-M475 WeakPolarHBondContact O-CG 3.38Å; R471-M475 PolarHBondContact O-N 3.18Å; R471-M475 VanDerWaalsContact O-N 3.08Å; A472-M475 CarbonylContact O-C 3.47Å; A472-M475 WeakPolarHBondContact O-CA 3.37Å; A472-M475 WeakPolarHBondContact O-CB 3.33Å; A472-M475 PolarHBondContact O-N 2.74Å; E473-M475 VanDerWaalsContact C-N 3.28Å; E473-M475 PolarHBondContact O-N 3.3Å; M475-I477 VanDerWaalsContact C-N 3.28Å; M475-I477 PolarHBondContact O-N 2.91Å; M475-C478 PolarHBondContact O-N 3.4Å; M475-C478 VanDerWaalsContact O-N 3.1Å; M475-L479 PolarHBondContact O-N 2.89Å
476S69.2Low73.1Confident76 Ų76118.3 Ų118.353%0.53161%0.607SS.*Hα-helixtrans-70.8-21.4174.854.10000113.5A472 E473 C478A472-S476 PolarHBondContact O-N 2.9Å; A472-S476 PolarHBondContact O-OG 3.26Å; E473-S476 WeakPolarHBondContact CA-OG 3.43Å; E473-S476 PolarHBondContact O-N 2.69Å; E473-S476 PolarHBondContact O-OG 2.78Å; S476-C478 VanDerWaalsContact C-N 3.32Å
477I62.9Low72.4Confident141 Ų141121.5 Ų121.572%0.72362%0.617SS**THydrogen-bonded Turntrans-79.8-18.1170.4-63.9162.2000111.2E473 M475E473-I477 WeakPolarHBondContact O-CD1 3.41Å; E473-I477 VanDerWaalsContact O-CG1 3.25Å; E473-I477 WeakPolarHBondContact O-CG1 3.48Å; E473-I477 PolarHBondContact O-N 2.6Å; M475-I477 VanDerWaalsContact C-N 3.28Å; M475-I477 PolarHBondContact O-N 2.91Å
478C51.6Low71.6Confident112 Ų112127.4 Ų127.476%0.75763%0.634SS**  trans-96.1-5.1178.2-64.40000114R474 M475 S476R474-C478 PolarHBondContact O-N 3.01Å; R474-C478 PolarHBondContact O-SG 2.84Å; M475-C478 PolarHBondContact O-N 3.4Å; M475-C478 VanDerWaalsContact O-N 3.1Å; S476-C478 VanDerWaalsContact C-N 3.32Å
479L45.8Very low70.7Confident204 Ų204130.5 Ų130.5100%1.06865%0.647SS**  trans-102.40171.1-72.2169.7000108.6M475M475-L479 PolarHBondContact O-N 2.89Å

Retrieved 479 of 479 residues in 232.7 ms (Link to these results)

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