A0A096MU04_PAPAN Loading...

Ammonium transporter Rh type B

Ammonium transporter involved in the maintenance of acid-base homeostasis. Transports ammonium and its related derivative methylammonium across the basolateral plasma membrane of epithelial cells likely contributing to renal transepithelial ammonia transport and ammonia metabolism. May transport either NH4(+) or NH3 ammonia species predominantly mediating an electrogenic NH4(+) transport. May act as a CO2 channel providing for renal acid secretion.

AlphaFold DB , UniProt , Accession A0A096MU04, Species PAPAN (Papio anubis, Olive baboon), Gene RHBG, Length 458 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
1M37.6Very low51.2Low235 Ų23593.2 Ų93.2100%1.15859%0.59SS**  0104.20-81.1-167.1-118.700108.5G3M1-G3 PolarHBondContact O-N 3.47Å
2A37.5Very low53.4Low104 Ų104102.8 Ų102.886%0.8661%0.606SS**PPolyproline II helixtrans-62.5128.2173.400000109.4
3G41.2Very low55.9Low60 Ų60103.4 Ų103.462%0.61960%0.604SS**PPolyproline II helixtrans-58.6140.7177.700000111.2M1M1-G3 PolarHBondContact O-N 3.47Å
4S46.2Very low58.3Low53 Ų5399.4 Ų99.437%0.37158%0.577SS.*PPolyproline II helixtrans-53.6139.4179.461.30000111.3S6 R7S4-S6 PolarHBondContact O-N 2.94Å; S4-S6 PolarHBondContact OG-OG 3.26Å; S4-R7 PolarHBondContact O-N 3.4Å
5P49.6Very low60.6Low117 Ų11796.3 Ų96.376%0.7656%0.557SS**Hα-helixtrans-50.9-30-175.6-27.833.1000115.1A9P5-A9 PolarHBondContact O-N 3.22Å
6S52.8Low62.7Low90 Ų9094.3 Ų94.363%0.62955%0.548SS*.Hα-helixtrans-66.6-36177.655.10000114.1S4 G10S4-S6 PolarHBondContact O-N 2.94Å; S4-S6 PolarHBondContact OG-OG 3.26Å; S6-G10 PolarHBondContact O-N 3.21Å
7R56.5Low64.7Low151 Ų15195.1 Ų95.157%0.5755%0.549SS*.Hα-helixtrans-70-40.8176.4-76.1-171.9177.5-176-1.9111.7S4 A9 G10 R11S4-R7 PolarHBondContact O-N 3.4Å; R7-A9 VanDerWaalsContact C-N 3.35Å; R7-A9 PolarHBondContact O-N 3.29Å; R7-G10 PolarHBondContact O-N 3.47Å; R7-R11 PolarHBondContact O-N 2.89Å; R7-R11 VanDerWaalsContact O-N 3.11Å
8A56.6Low66.4Low51 Ų5191.6 Ų91.642%0.42153%0.528SS..Hα-helixtrans-64.7-37.8177.100000112.4R12A8-R12 WeakPolarHBondContact O-CG 2.99Å; A8-R12 PolarHBondContact O-N 3.39Å
9A57.2Low68Low53 Ų5388.9 Ų88.944%0.43852%0.515SS..Hα-helixtrans-65.8-38.3174.800000112.7P5 R7 R12P5-A9 PolarHBondContact O-N 3.22Å; R7-A9 VanDerWaalsContact C-N 3.35Å; R7-A9 PolarHBondContact O-N 3.29Å; A9-R12 PolarHBondContact O-N 2.77Å
10G63Low69.5Low38 Ų3890.7 Ų90.739%0.39252%0.522SS..Hα-helixtrans-63.1-45.7174.400000113.4S6 R7 R12 L13 Q14S6-G10 PolarHBondContact O-N 3.21Å; R7-G10 PolarHBondContact O-N 3.47Å; G10-R12 VanDerWaalsContact C-N 3.31Å; G10-R12 PolarHBondContact O-N 3.39Å; G10-L13 PolarHBondContact O-N 2.66Å; G10-Q14 WeakPolarHBondContact O-CB 3.41Å; G10-Q14 PolarHBondContact O-N 2.94Å
11R65.5Low70.9Confident73 Ų7393.2 Ų93.228%0.27553%0.527SS..Hα-helixtrans-59.4-39.3176.2-68.7-178.9-160.2-167-7.8113.1R7 L13 D421R7-R11 PolarHBondContact O-N 2.89Å; R7-R11 VanDerWaalsContact O-N 3.11Å; R11-L13 PolarHBondContact O-N 3.41Å; R11-D421 WeakPolarHBondContact CD-OD2 3.43Å; R11-D421 WeakPolarHBondContact CG-OD2 3.38Å; R11-D421 IonicContact CZ-OD1 3.23Å; R11-D421 IonicContact CZ-OD2 2.68Å; R11-D421 IonicContact NE-OD1 2.66Å; R11-D421 IonicContact NE-OD2 3.95Å; R11-D421 PolarHBondContact NE-OD2 3.45Å; R11-D421 IonicContact NH2-OD1 3.66Å; R11-D421 PolarHBondContact NH2-OD1 3.24Å; R11-D421 IonicContact NH2-OD2 3.09Å; R11-D421 PolarHBondContact NH2-OD2 3.45Å
12R76.6Confident73.8Confident208 Ų20882.5 Ų82.579%0.78547%0.474SS*.Hα-helixtrans-61.9-23.8-179.4-79.1-178.9179.5-162.70.3113.5A8 A9 G10 P16A8-R12 WeakPolarHBondContact O-CG 2.99Å; A8-R12 PolarHBondContact O-N 3.39Å; A9-R12 PolarHBondContact O-N 2.77Å; G10-R12 VanDerWaalsContact C-N 3.31Å; G10-R12 PolarHBondContact O-N 3.39Å; R12-P16 WeakPolarHBondContact O-CG 3.47Å
13L86.1Confident76.7Confident111 Ų11181.8 Ų81.858%0.58145%0.453SS*.Hα-helixtrans-104.8-35.9-178.9-68.7170.5000112.6G10 R11 P16 L17G10-L13 PolarHBondContact O-N 2.66Å; R11-L13 PolarHBondContact O-N 3.41Å; L13-P16 WeakPolarHBondContact O-CD 3.4Å; L13-L17 HydrophobicContact CB-CD1 4.14Å; L13-L17 VanDerWaalsContact O-CB 3.25Å; L13-L17 WeakPolarHBondContact O-CB 3.19Å; L13-L17 WeakPolarHBondContact O-CG 3.49Å; L13-L17 PolarHBondContact O-N 3.11Å
14Q90.3Very high79.4Confident47 Ų4780.6 Ų80.622%0.2244%0.441CS..Hα-helixtrans-59.9-55-172.1179.2172.536.100113.6G10 L18 A150 F419G10-Q14 WeakPolarHBondContact O-CB 3.41Å; G10-Q14 PolarHBondContact O-N 2.94Å; Q14-L18 WeakPolarHBondContact O-CB 3.37Å; Q14-L18 PolarHBondContact O-N 3.18Å; Q14-A150 HydrophobicContact CG-CB 4.16Å; Q14-F419 PolarHBondContact NE2-O 3.21Å; Q14-F419 PolarHBondContact OE1-O 3.29Å
15L91.9Very high81.9Confident54 Ų5480 Ų8028%0.28344%0.439SS..Hα-helixtrans-64.9-48.9-176.7176.565.9000111.6L17 L18 C19 L95 P149 L153L15-L17 PolarHBondContact O-N 3.12Å; L15-L18 PolarHBondContact O-N 3.48Å; L15-C19 PolarHBondContact O-N 3.18Å; L15-C19 PolarHBondContact O-SG 3.34Å; L15-C19 VanDerWaalsContact O-SG 3.32Å; L15-L95 HydrophobicContact CD1-CD2 4.44Å; L15-P149 HydrophobicContact CD1-CB 3.87Å; L15-P149 HydrophobicContact CD1-CG 4.16Å; L15-P149 HydrophobicContact CD2-CB 4.08Å; L15-P149 HydrophobicContact CD2-CG 3.76Å; L15-P149 HydrophobicContact CG-CG 4.47Å; L15-L153 HydrophobicContact CD1-CD1 3.89Å
16P95.2Very high84.2Confident64 Ų6474.6 Ų74.642%0.41640%0.404SS..Hα-helixtrans-58.2-45176.6-27.737.1000113.4R12 L13 L18 C19 L20R12-P16 WeakPolarHBondContact O-CG 3.47Å; L13-P16 WeakPolarHBondContact O-CD 3.4Å; P16-L18 PolarHBondContact O-N 3.02Å; P16-C19 PolarHBondContact O-N 2.94Å; P16-L20 WeakPolarHBondContact O-CB 3.44Å; P16-L20 VanDerWaalsContact O-CG 3.24Å; P16-L20 WeakPolarHBondContact O-CG 2.86Å; P16-L20 PolarHBondContact O-N 3.32Å
17L95.4Very high86.4Confident107 Ų10772.6 Ų72.656%0.5639%0.393SS*.Hα-helixtrans-64.3-41179.6-70.3174.6000111.8L13 L15 L20 F21L13-L17 HydrophobicContact CB-CD1 4.14Å; L13-L17 VanDerWaalsContact O-CB 3.25Å; L13-L17 WeakPolarHBondContact O-CB 3.19Å; L13-L17 WeakPolarHBondContact O-CG 3.49Å; L13-L17 PolarHBondContact O-N 3.11Å; L15-L17 PolarHBondContact O-N 3.12Å; L17-L20 PolarHBondContact O-N 3.13Å; L17-F21 VanDerWaalsContact O-CB 3.23Å; L17-F21 WeakPolarHBondContact O-CB 3.4Å; L17-F21 PolarHBondContact O-N 3.45Å
18L95.4Very high88.4Confident32 Ų3269.9 Ų69.917%0.16839%0.393CS..Hα-helixtrans-64.6-45.6176.6-177.360.9000111.3Q14 L15 P16 F21 L22 A150 L153 L154Q14-L18 WeakPolarHBondContact O-CB 3.37Å; Q14-L18 PolarHBondContact O-N 3.18Å; L15-L18 PolarHBondContact O-N 3.48Å; P16-L18 PolarHBondContact O-N 3.02Å; L18-F21 PolarHBondContact O-N 3.27Å; L18-L22 HydrophobicContact CD1-CD1 3.98Å; L18-L22 HydrophobicContact CD1-CG 4.03Å; L18-L22 HydrophobicContact CG-CD1 3.96Å; L18-L22 HydrophobicContact CG-CG 4.38Å; L18-L22 WeakPolarHBondContact O-CB 3.43Å; L18-L22 VanDerWaalsContact O-CG 3.3Å; L18-L22 WeakPolarHBondContact O-CG 3.44Å; L18-L22 PolarHBondContact O-N 3.44Å; L18-A150 HydrophobicContact CD2-CB 4.07Å; L18-L153 HydrophobicContact CD2-CB 3.92Å; L18-L153 HydrophobicContact CD2-CD1 3.97Å; L18-L153 HydrophobicContact CG-CD1 4.19Å; L18-L154 HydrophobicContact CD1-CD2 4.38Å
19C97.5Very high90.4Very high41 Ų4169.8 Ų69.828%0.27739%0.385SS..Hα-helixtrans-60.6-46.6176.3-69.60000111.9L15 P16 F21 L22 Q23L15-C19 PolarHBondContact O-N 3.18Å; L15-C19 PolarHBondContact O-SG 3.34Å; L15-C19 VanDerWaalsContact O-SG 3.32Å; P16-C19 PolarHBondContact O-N 2.94Å; C19-F21 VanDerWaalsContact C-N 3.35Å; C19-F21 PolarHBondContact O-N 3.39Å; C19-L22 PolarHBondContact O-N 3.25Å; C19-Q23 WeakPolarHBondContact O-CB 3.37Å; C19-Q23 PolarHBondContact O-N 3.13Å
20L98.1Very high92.4Very high125 Ų12570.1 Ų70.165%0.65438%0.377SS*.Hα-helixtrans-63.6-40.8178.5-71.8172000111.8P16 L17 G24P16-L20 WeakPolarHBondContact O-CB 3.44Å; P16-L20 VanDerWaalsContact O-CG 3.24Å; P16-L20 WeakPolarHBondContact O-CG 2.86Å; P16-L20 PolarHBondContact O-N 3.32Å; L17-L20 PolarHBondContact O-N 3.13Å; L20-G24 PolarHBondContact O-N 3.24Å
21F98.2Very high94.1Very high143 Ų14371.6 Ų71.663%0.62739%0.386SS*.Hα-helixtrans-63.6-52.1176.1173.6-100.3000111.6L17 L18 C19 Q23 G24 A25L17-F21 VanDerWaalsContact O-CB 3.23Å; L17-F21 WeakPolarHBondContact O-CB 3.4Å; L17-F21 PolarHBondContact O-N 3.45Å; L18-F21 PolarHBondContact O-N 3.27Å; C19-F21 VanDerWaalsContact C-N 3.35Å; C19-F21 PolarHBondContact O-N 3.39Å; F21-Q23 PolarHBondContact O-N 3.47Å; F21-G24 PolarHBondContact O-N 2.84Å; F21-A25 VanDerWaalsContact O-CB 3.3Å; F21-A25 WeakPolarHBondContact O-CB 3.45Å; F21-A25 PolarHBondContact O-N 3.11Å
22L98.3Very high95.6Very high10 Ų1071.6 Ų71.65%0.05239%0.393CS..Hα-helixtrans-62.4-44.6-179.7-69.5176.3000111.4L18 C19 T26 F99 L153 L157L18-L22 HydrophobicContact CD1-CD1 3.98Å; L18-L22 HydrophobicContact CD1-CG 4.03Å; L18-L22 HydrophobicContact CG-CD1 3.96Å; L18-L22 HydrophobicContact CG-CG 4.38Å; L18-L22 WeakPolarHBondContact O-CB 3.43Å; L18-L22 VanDerWaalsContact O-CG 3.3Å; L18-L22 WeakPolarHBondContact O-CG 3.44Å; L18-L22 PolarHBondContact O-N 3.44Å; C19-L22 PolarHBondContact O-N 3.25Å; L22-T26 VanDerWaalsContact O-CB 3.29Å; L22-T26 WeakPolarHBondContact O-CB 3.35Å; L22-T26 PolarHBondContact O-N 2.92Å; L22-T26 PolarHBondContact O-OG1 3.21Å; L22-F99 HydrophobicContact CB-CD2 4.34Å; L22-F99 HydrophobicContact CB-CE2 3.93Å; L22-F99 HydrophobicContact CD1-CD2 4.47Å; L22-F99 HydrophobicContact CD1-CE1 4.46Å; L22-F99 HydrophobicContact CD1-CE2 4.11Å; L22-F99 HydrophobicContact CD1-CZ 4.11Å; L22-F99 HydrophobicContact CD2-CE2 4.22Å; L22-F99 HydrophobicContact CD2-CZ 4.12Å; L22-F99 HydrophobicContact CG-CE2 4.31Å; L22-L153 HydrophobicContact CD1-CB 4.04Å; L22-L153 HydrophobicContact CD1-CD1 4.35Å; L22-L153 HydrophobicContact CD1-CD2 4.27Å; L22-L153 HydrophobicContact CD1-CG 4.46Å; L22-L157 HydrophobicContact CD2-CD1 4.18Å; L22-L157 HydrophobicContact CD2-CD2 4.41Å
23Q98.7Very high96.7Very high89 Ų8964.3 Ų64.342%0.41637%0.368SS..Hα-helixtrans-66.7-41.1178.3-172.659.156.900111.9C19 F21 A27C19-Q23 WeakPolarHBondContact O-CB 3.37Å; C19-Q23 PolarHBondContact O-N 3.13Å; F21-Q23 PolarHBondContact O-N 3.47Å; Q23-A27 VanDerWaalsContact O-CB 3.23Å; Q23-A27 WeakPolarHBondContact O-CB 3.39Å; Q23-A27 PolarHBondContact O-N 3.21Å
24G98.6Very high97.2Very high36 Ų3659.9 Ų59.937%0.37135%0.345SS..Hα-helixtrans-63.8-46.5176.600000112.2L20 F21 A27 V28L20-G24 PolarHBondContact O-N 3.24Å; F21-G24 PolarHBondContact O-N 2.84Å; G24-A27 PolarHBondContact O-N 2.79Å; G24-V28 WeakPolarHBondContact O-CG2 3.13Å; G24-V28 PolarHBondContact O-N 2.88Å
25A98.4Very high97.6Very high39 Ų3962.3 Ų62.332%0.32235%0.352SS..Hα-helixtrans-60.8-48.7176.300000111.4F21 A27 V28 L29F21-A25 VanDerWaalsContact O-CB 3.3Å; F21-A25 WeakPolarHBondContact O-CB 3.45Å; F21-A25 PolarHBondContact O-N 3.11Å; A25-A27 PolarHBondContact O-N 2.7Å; A25-V28 PolarHBondContact O-N 2.92Å; A25-L29 WeakPolarHBondContact O-CG 3.37Å; A25-L29 PolarHBondContact O-N 2.86Å
26T98.3Very high97.8Very high4 Ų466.9 Ų66.93%0.02537%0.367CS..Hα-helixtrans-60.9-44.2177.2-62.80000111.6L22 V28 L29 F30 Q102 L106L22-T26 VanDerWaalsContact O-CB 3.29Å; L22-T26 WeakPolarHBondContact O-CB 3.35Å; L22-T26 PolarHBondContact O-N 2.92Å; L22-T26 PolarHBondContact O-OG1 3.21Å; T26-V28 VanDerWaalsContact C-N 3.35Å; T26-V28 PolarHBondContact O-N 2.74Å; T26-L29 PolarHBondContact O-N 3.02Å; T26-F30 HydrophobicContact CG2-CD2 3.72Å; T26-F30 HydrophobicContact CG2-CE2 3.67Å; T26-F30 VanDerWaalsContact O-CD2 3.31Å; T26-F30 WeakPolarHBondContact O-CD2 3.38Å; T26-F30 PolarHBondContact O-N 2.94Å; T26-Q102 HydrophobicContact CG2-CB 3.67Å; T26-L106 HydrophobicContact CG2-CD1 4.04Å
27A98.7Very high97.7Very high48 Ų4865.3 Ų65.340%0.39736%0.355SS..Hα-helixtrans-61-41.617800000112.5Q23 G24 A25 F30 A31Q23-A27 VanDerWaalsContact O-CB 3.23Å; Q23-A27 WeakPolarHBondContact O-CB 3.39Å; Q23-A27 PolarHBondContact O-N 3.21Å; G24-A27 PolarHBondContact O-N 2.79Å; A25-A27 PolarHBondContact O-N 2.7Å; A27-F30 PolarHBondContact O-N 3.29Å; A27-A31 WeakPolarHBondContact O-CB 3.05Å; A27-A31 PolarHBondContact O-N 3.45Å
28V98.8Very high97.5Very high94 Ų9464.7 Ų64.757%0.5735%0.349SS*.Hα-helixtrans-62.9-46174.7171.50000110.6G24 A25 T26 F30 A31 V32G24-V28 WeakPolarHBondContact O-CG2 3.13Å; G24-V28 PolarHBondContact O-N 2.88Å; A25-V28 PolarHBondContact O-N 2.92Å; T26-V28 VanDerWaalsContact C-N 3.35Å; T26-V28 PolarHBondContact O-N 2.74Å; V28-F30 VanDerWaalsContact C-N 3.35Å; V28-F30 PolarHBondContact O-N 3.42Å; V28-A31 PolarHBondContact O-N 2.99Å; V28-V32 HydrophobicContact CG1-CG2 4.43Å; V28-V32 VanDerWaalsContact O-CG2 3.3Å; V28-V32 WeakPolarHBondContact O-CG2 3.4Å; V28-V32 PolarHBondContact O-N 2.88Å
29L98.5Very high97.2Very high50 Ų5065.5 Ų65.526%0.26235%0.351SS..Hα-helixtrans-62.9-40.1178-68.1173.6000112.2A25 T26 V32 F33 W103 L106A25-L29 WeakPolarHBondContact O-CG 3.37Å; A25-L29 PolarHBondContact O-N 2.86Å; T26-L29 PolarHBondContact O-N 3.02Å; L29-V32 PolarHBondContact O-N 3.44Å; L29-F33 HydrophobicContact CB-CD2 4.49Å; L29-F33 HydrophobicContact CD2-CD2 4.07Å; L29-F33 HydrophobicContact CD2-CE2 3.79Å; L29-F33 WeakPolarHBondContact O-CB 3.14Å; L29-F33 WeakPolarHBondContact O-CD2 3.48Å; L29-F33 PolarHBondContact O-N 3.01Å; L29-W103 HydrophobicContact CD1-CZ3 3.88Å; L29-L106 HydrophobicContact CB-CD1 3.71Å; L29-L106 HydrophobicContact CB-CD2 4.01Å; L29-L106 HydrophobicContact CD1-CD1 3.98Å
30F98.6Very high97Very high59 Ų5966.7 Ų66.726%0.25936%0.357SS..Hα-helixtrans-61-47.5172.9-93.7-110.6000111.6T26 A27 V28 V32 F33 V34 Q102 T105 L106T26-F30 HydrophobicContact CG2-CD2 3.72Å; T26-F30 HydrophobicContact CG2-CE2 3.67Å; T26-F30 VanDerWaalsContact O-CD2 3.31Å; T26-F30 WeakPolarHBondContact O-CD2 3.38Å; T26-F30 PolarHBondContact O-N 2.94Å; A27-F30 PolarHBondContact O-N 3.29Å; V28-F30 VanDerWaalsContact C-N 3.35Å; V28-F30 PolarHBondContact O-N 3.42Å; F30-V32 VanDerWaalsContact C-N 3.28Å; F30-V32 PolarHBondContact O-N 3.3Å; F30-F33 PolarHBondContact O-N 3.05Å; F30-V34 HydrophobicContact CB-CB 4.43Å; F30-V34 HydrophobicContact CB-CG2 4.36Å; F30-V34 HydrophobicContact CD1-CB 3.91Å; F30-V34 HydrophobicContact CD1-CG1 3.96Å; F30-V34 HydrophobicContact CD1-CG2 3.85Å; F30-V34 HydrophobicContact CD2-CG2 4.31Å; F30-V34 HydrophobicContact CE1-CB 4.49Å; F30-V34 HydrophobicContact CE1-CG1 4.19Å; F30-V34 HydrophobicContact CE1-CG2 4.2Å; F30-V34 HydrophobicContact CG-CB 4.26Å; F30-V34 HydrophobicContact CG-CG2 3.92Å; F30-V34 WeakPolarHBondContact O-CB 3.35Å; F30-V34 PolarHBondContact O-N 3.48Å; F30-Q102 HydrophobicContact CE2-CB 4.14Å; F30-Q102 VanDerWaalsContact CE2-O 3.29Å; F30-Q102 WeakPolarHBondContact CE2-O 3.23Å; F30-Q102 HydrophobicContact CZ-CB 4.28Å; F30-T105 HydrophobicContact CE1-CG2 4.19Å; F30-T105 HydrophobicContact CZ-CG2 3.86Å; F30-L106 HydrophobicContact CD2-CD1 3.79Å; F30-L106 HydrophobicContact CD2-CD2 3.85Å; F30-L106 HydrophobicContact CD2-CG 3.8Å; F30-L106 HydrophobicContact CE2-CD1 3.76Å; F30-L106 HydrophobicContact CE2-CD2 4.03Å; F30-L106 HydrophobicContact CE2-CG 3.56Å; F30-L106 HydrophobicContact CZ-CG 4.49Å
31A98.4Very high96.8Very high70 Ų7063.1 Ų63.158%0.57934%0.339SS*.Hα-helixtrans-59.4-41.117900000111.9A27 V28 R35A27-A31 WeakPolarHBondContact O-CB 3.05Å; A27-A31 PolarHBondContact O-N 3.45Å; V28-A31 PolarHBondContact O-N 2.99Å; A31-R35 PolarHBondContact O-NH1 3Å; A31-R35 PolarHBondContact O-NH2 3.36Å
32V98.3Very high96.5Very high72 Ų7259.7 Ų59.744%0.43634%0.337SS..Hα-helixtrans-72.4-50.3179.8176.50000111.4V28 L29 F30 R35V28-V32 HydrophobicContact CG1-CG2 4.43Å; V28-V32 VanDerWaalsContact O-CG2 3.3Å; V28-V32 WeakPolarHBondContact O-CG2 3.4Å; V28-V32 PolarHBondContact O-N 2.88Å; L29-V32 PolarHBondContact O-N 3.44Å; F30-V32 VanDerWaalsContact C-N 3.28Å; F30-V32 PolarHBondContact O-N 3.3Å; V32-R35 PolarHBondContact O-NH2 3.1Å
33F98.4Very high96.3Very high56 Ų5662 Ų6225%0.24636%0.357CS..Hα-helixtrans-106.6-27.9-163.5-63.1-69000115.1L29 F30 F110 F114 H118 I119L29-F33 HydrophobicContact CB-CD2 4.49Å; L29-F33 HydrophobicContact CD2-CD2 4.07Å; L29-F33 HydrophobicContact CD2-CE2 3.79Å; L29-F33 WeakPolarHBondContact O-CB 3.14Å; L29-F33 WeakPolarHBondContact O-CD2 3.48Å; L29-F33 PolarHBondContact O-N 3.01Å; F30-F33 PolarHBondContact O-N 3.05Å; F33-F110 HydrophobicContact CB-CE1 4.34Å; F33-F110 HydrophobicContact CB-CZ 4.15Å; F33-F110 AromaticContact CD1-CE1 3.96Å; F33-F110 HydrophobicContact CD1-CE1 3.96Å; F33-F110 HydrophobicContact CD1-CZ 4.19Å; F33-F110 HydrophobicContact CD2-CE1 4.23Å; F33-F110 AromaticContact CD2-CZ 3.61Å; F33-F110 HydrophobicContact CD2-CZ 3.61Å; F33-F110 HydrophobicContact CE1-CE1 4.29Å; F33-F110 AromaticContact CE2-CZ 3.98Å; F33-F110 HydrophobicContact CE2-CZ 3.98Å; F33-F110 AromaticContact CG-CE1 3.91Å; F33-F110 HydrophobicContact CG-CE1 3.91Å; F33-F110 AromaticContact CG-CZ 3.71Å; F33-F110 HydrophobicContact CG-CZ 3.71Å; F33-F110 HydrophobicContact CZ-CZ 4.41Å; F33-F114 AromaticContact CD1-CE2 3.88Å; F33-F114 HydrophobicContact CD1-CE2 3.88Å; F33-F114 HydrophobicContact CD1-CZ 4.32Å; F33-F114 HydrophobicContact CE1-CE2 4.48Å; F33-F114 HydrophobicContact CE1-CZ 4.5Å; F33-H118 CarbonylContact O-C 3.58Å; F33-H118 VanDerWaalsContact O-CA 3.25Å; F33-H118 WeakPolarHBondContact O-CA 3.3Å; F33-H118 PolarHBondContact O-ND1 2.96Å; F33-I119 HydrophobicContact CB-CD1 4.25Å; F33-I119 HydrophobicContact CB-CG1 4.44Å; F33-I119 PolarHBondContact O-N 3.37Å
34V98.2Very high95.9Very high18 Ų1861 Ų6111%0.10935%0.354CS..EExtended strand (participates in β ladder)trans-94.4131.8-167.7-179.90000111.9F30 L106 I119 V121F30-V34 HydrophobicContact CB-CB 4.43Å; F30-V34 HydrophobicContact CB-CG2 4.36Å; F30-V34 HydrophobicContact CD1-CB 3.91Å; F30-V34 HydrophobicContact CD1-CG1 3.96Å; F30-V34 HydrophobicContact CD1-CG2 3.85Å; F30-V34 HydrophobicContact CD2-CG2 4.31Å; F30-V34 HydrophobicContact CE1-CB 4.49Å; F30-V34 HydrophobicContact CE1-CG1 4.19Å; F30-V34 HydrophobicContact CE1-CG2 4.2Å; F30-V34 HydrophobicContact CG-CB 4.26Å; F30-V34 HydrophobicContact CG-CG2 3.92Å; F30-V34 WeakPolarHBondContact O-CB 3.35Å; F30-V34 PolarHBondContact O-N 3.48Å; V34-L106 HydrophobicContact CG2-CD2 3.7Å; V34-I119 CarbonylContact C-O 3.55Å; V34-I119 WeakPolarHBondContact CA-O 3.22Å; V34-I119 HydrophobicContact CG2-CB 4.28Å; V34-I119 HydrophobicContact CG2-CD1 4.37Å; V34-V121 HydrophobicContact CG1-CB 4.42Å; V34-V121 HydrophobicContact CG1-CG1 3.66Å; V34-V121 HydrophobicContact CG1-CG2 3.85Å
35R97.3Very high95.4Very high98 Ų9860.6 Ų60.637%0.3734%0.342SS..EExtended strand (participates in β ladder)trans-134.3155.7177.9-61.1-63.6177.3-96.50.5110.5A31 V32 H118 I119 H120 V121A31-R35 PolarHBondContact O-NH1 3Å; A31-R35 PolarHBondContact O-NH2 3.36Å; V32-R35 PolarHBondContact O-NH2 3.1Å; R35-H118 HydrophobicContact CB-CB 4.47Å; R35-H118 HydrophobicContact CG-CB 3.84Å; R35-H118 PolarHBondContact NH2-CE1 3.06Å; R35-I119 PolarHBondContact N-O 3.39Å; R35-H120 CarbonylContact O-C 3.54Å; R35-H120 WeakPolarHBondContact O-CA 3.25Å; R35-V121 WeakPolarHBondContact O-CG2 3.14Å; R35-V121 PolarHBondContact O-N 2.89Å
36Y96.4Very high94.9Very high149 Ų14966 Ų6658%0.58436%0.36SS*.EExtended strand (participates in β ladder)trans-66.9140.2168.1-69.4-50.5000110.4T40 V121Y36-T40 HydrophobicContact CD1-CG2 3.33Å; Y36-T40 HydrophobicContact CE1-CG2 3.83Å; Y36-T40 HydrophobicContact CG-CG2 3.76Å; Y36-V121 HydrophobicContact CD1-CG2 4.28Å
37N93.1Very high94.5Very high31 Ų3175 Ų7517%0.16639%0.393CS..  trans-72176.2171.976.418.9000111.4K39 T40 D41 H120 V121N37-K39 PolarHBondContact O-N 3.16Å; N37-K39 VanDerWaalsContact O-N 3.15Å; N37-K39 WeakPolarHBondContact OD1-CA 3.48Å; N37-K39 WeakPolarHBondContact OD1-CB 3.41Å; N37-K39 PolarHBondContact OD1-N 3.02Å; N37-T40 PolarHBondContact O-N 2.93Å; N37-T40 PolarHBondContact OD1-N 3.22Å; N37-T40 VanDerWaalsContact OD1-N 3.09Å; N37-T40 PolarHBondContact OD1-OG1 3Å; N37-D41 WeakPolarHBondContact O-CB 3.39Å; N37-D41 PolarHBondContact O-N 2.93Å; N37-H120 HydrophobicContact CB-CB 3.89Å; N37-V121 PolarHBondContact N-O 3.46Å; N37-V121 VanDerWaalsContact N-O 3.09Å
38H90.8Very high93.7Very high94 Ų9474.2 Ų74.244%0.43539%0.39SS..THydrogen-bonded Turntrans-62.2-21-178.670.4-84.7000115.1L44 W45H38-L44 HydrophobicContact CB-CB 4.35Å; H38-L44 HydrophobicContact CB-CD1 4.44Å; H38-W45 PolarHBondContact O-N 2.88Å
39K90.5Very high93Very high50 Ų5077.8 Ų77.822%0.21741%0.406CS..THydrogen-bonded Turntrans-87.3-12.9177-56.9-173.9-175.4172.60113N37 W45 N55 E56N37-K39 PolarHBondContact O-N 3.16Å; N37-K39 VanDerWaalsContact O-N 3.15Å; N37-K39 WeakPolarHBondContact OD1-CA 3.48Å; N37-K39 WeakPolarHBondContact OD1-CB 3.41Å; N37-K39 PolarHBondContact OD1-N 3.02Å; K39-W45 HydrophobicContact CB-CE3 4.49Å; K39-W45 HydrophobicContact CB-CZ3 4.45Å; K39-W45 HydrophobicContact CG-CZ3 4.45Å; K39-N55 PolarHBondContact O-ND2 2.99Å; K39-E56 HydrophobicContact CD-CB 4.07Å; K39-E56 IonicContact NZ-OE2 2.98Å; K39-E56 PolarHBondContact NZ-OE2 2.61Å
40T92Very high92.4Very high66 Ų6681.2 Ų81.241%0.40542%0.416SS..THydrogen-bonded Turntrans-115.2-29.7-177.6-51.30000112.2Y36 N37 A42Y36-T40 HydrophobicContact CD1-CG2 3.33Å; Y36-T40 HydrophobicContact CE1-CG2 3.83Å; Y36-T40 HydrophobicContact CG-CG2 3.76Å; N37-T40 PolarHBondContact O-N 2.93Å; N37-T40 PolarHBondContact OD1-N 3.22Å; N37-T40 VanDerWaalsContact OD1-N 3.09Å; N37-T40 PolarHBondContact OD1-OG1 3Å; T40-A42 PolarHBondContact O-N 3.46Å
41D94Very high91.9Very high50 Ų5081.1 Ų81.127%0.26742%0.423SS..  trans-70.3120.8174.3-176.7-74.2000110.8N37 A43 L44 W45N37-D41 WeakPolarHBondContact O-CB 3.39Å; N37-D41 PolarHBondContact O-N 2.93Å; D41-A43 VanDerWaalsContact C-N 3.32Å; D41-A43 PolarHBondContact O-N 3.38Å; D41-A43 WeakPolarHBondContact OD1-CA 3.44Å; D41-A43 WeakPolarHBondContact OD1-CB 3.37Å; D41-A43 PolarHBondContact OD1-N 3.22Å; D41-L44 HydrophobicContact CB-CB 4.04Å; D41-L44 HydrophobicContact CB-CD1 3.93Å; D41-L44 HydrophobicContact CB-CG 4.06Å; D41-L44 PolarHBondContact O-N 2.83Å; D41-L44 WeakPolarHBondContact OD1-CG 3.36Å; D41-L44 PolarHBondContact OD1-N 3.37Å; D41-W45 VanDerWaalsContact O-CB 3.3Å; D41-W45 WeakPolarHBondContact O-CB 3.26Å; D41-W45 PolarHBondContact O-N 3.24Å
42A92.6Very high91.4Very high71 Ų7182.8 Ų82.859%0.58742%0.422SS*.Hα-helixtrans-61.8-37.2-175.300000113.1T40 H46T40-A42 PolarHBondContact O-N 3.46Å; A42-H46 PolarHBondContact O-CD2 2.78Å; A42-H46 PolarHBondContact O-N 3.24Å
43A92.9Very high90.9Very high57 Ų5782.3 Ų82.347%0.47143%0.426SS..Hα-helixtrans-78.5-32-17800000112.1D41 R47D41-A43 VanDerWaalsContact C-N 3.32Å; D41-A43 PolarHBondContact O-N 3.38Å; D41-A43 WeakPolarHBondContact OD1-CA 3.44Å; D41-A43 WeakPolarHBondContact OD1-CB 3.37Å; D41-A43 PolarHBondContact OD1-N 3.22Å; A43-R47 WeakPolarHBondContact O-CG 3.45Å; A43-R47 PolarHBondContact O-NE 3.28Å
44L90.6Very high90.4Very high69 Ų6983.8 Ų83.836%0.36144%0.436SS..Hα-helixtrans-75.7-42175.6-64177.6000111.6H38 D41 H46 R47H38-L44 HydrophobicContact CB-CB 4.35Å; H38-L44 HydrophobicContact CB-CD1 4.44Å; D41-L44 HydrophobicContact CB-CB 4.04Å; D41-L44 HydrophobicContact CB-CD1 3.93Å; D41-L44 HydrophobicContact CB-CG 4.06Å; D41-L44 PolarHBondContact O-N 2.83Å; D41-L44 WeakPolarHBondContact OD1-CG 3.36Å; D41-L44 PolarHBondContact OD1-N 3.37Å; L44-H46 PolarHBondContact O-N 2.73Å; L44-R47 PolarHBondContact O-N 3.38Å; L44-R47 VanDerWaalsContact O-N 3.17Å
45W88.9Confident90Very high28 Ų2884.3 Ų84.311%0.10644%0.438CS..Hα-helixtrans-57.2-47.5179178.5-108.4000112.2H38 K39 D41 R47 G48 Y50 S51 D54 N55H38-W45 PolarHBondContact O-N 2.88Å; K39-W45 HydrophobicContact CB-CE3 4.49Å; K39-W45 HydrophobicContact CB-CZ3 4.45Å; K39-W45 HydrophobicContact CG-CZ3 4.45Å; D41-W45 VanDerWaalsContact O-CB 3.3Å; D41-W45 WeakPolarHBondContact O-CB 3.26Å; D41-W45 PolarHBondContact O-N 3.24Å; W45-R47 VanDerWaalsContact C-N 3.25Å; W45-R47 PolarHBondContact O-N 2.93Å; W45-G48 PolarHBondContact O-N 2.93Å; W45-Y50 HydrophobicContact CE3-CD2 4.16Å; W45-Y50 HydrophobicContact CH2-CG 4.35Å; W45-Y50 HydrophobicContact CZ3-CD2 4.22Å; W45-Y50 HydrophobicContact CZ3-CG 4.13Å; W45-S51 WeakPolarHBondContact CH2-O 3.42Å; W45-S51 WeakPolarHBondContact CZ2-O 3.34Å; W45-D54 HydrophobicContact CH2-CB 4.38Å; W45-N55 HydrophobicContact CH2-CB 3.78Å; W45-N55 HydrophobicContact CZ2-CB 4.24Å; W45-N55 HydrophobicContact CZ3-CB 4.36Å
46H88.5Confident89.7Confident153 Ų15381.2 Ų81.271%0.70843%0.428SS*.THydrogen-bonded Turntrans-78-2-178.6-70.3-58.5000115A42 L44A42-H46 PolarHBondContact O-CD2 2.78Å; A42-H46 PolarHBondContact O-N 3.24Å; L44-H46 PolarHBondContact O-N 2.73Å
47R88.8Confident89.6Confident191 Ų19178.2 Ų78.272%0.72142%0.418SS*.THydrogen-bonded Turntrans-85-20.2172.6-84.3-176.2-103.5-171-4.9113.2A43 L44 W45A43-R47 WeakPolarHBondContact O-CG 3.45Å; A43-R47 PolarHBondContact O-NE 3.28Å; L44-R47 PolarHBondContact O-N 3.38Å; L44-R47 VanDerWaalsContact O-N 3.17Å; W45-R47 VanDerWaalsContact C-N 3.25Å; W45-R47 PolarHBondContact O-N 2.93Å
48G81.9Confident89.6Confident32 Ų3283.2 Ų83.233%0.3344%0.436SS..SBendtrans-95.1165.7177.200000113.1W45 Y50W45-G48 PolarHBondContact O-N 2.93Å; G48-Y50 VanDerWaalsContact C-N 3.29Å; G48-Y50 PolarHBondContact O-N 3.35Å
49N84.4Confident89.7Confident169 Ų16984.1 Ų84.190%0.90444%0.439SS*.  trans-90.566.7171.5-167.629.1000109.8
50Y86.8Confident90Very high122 Ų12282.6 Ų82.648%0.47843%0.431SS..  trans-107.1143.5-179.8-55-65.1000110.8W45 G48W45-Y50 HydrophobicContact CE3-CD2 4.16Å; W45-Y50 HydrophobicContact CH2-CG 4.35Å; W45-Y50 HydrophobicContact CZ3-CD2 4.22Å; W45-Y50 HydrophobicContact CZ3-CG 4.13Å; G48-Y50 VanDerWaalsContact C-N 3.29Å; G48-Y50 PolarHBondContact O-N 3.35Å
51S88.2Confident90.2Very high57 Ų5782.9 Ų82.940%0.39943%0.426SS..  trans-89.4158.9164.675.10000110W45 A53 D54W45-S51 WeakPolarHBondContact CH2-O 3.42Å; W45-S51 WeakPolarHBondContact CZ2-O 3.34Å; S51-A53 PolarHBondContact O-N 3.31Å; S51-A53 VanDerWaalsContact O-N 3.13Å; S51-A53 PolarHBondContact OG-N 2.85Å; S51-D54 WeakPolarHBondContact CA-OD2 3.4Å; S51-D54 WeakPolarHBondContact CB-OD2 3.43Å; S51-D54 PolarHBondContact N-OD2 3.46Å; S51-D54 WeakPolarHBondContact O-CB 3.43Å; S51-D54 PolarHBondContact O-N 3.02Å; S51-D54 PolarHBondContact OG-OD2 2.75Å
52N86.9Confident90.4Very high106 Ų10683.5 Ų83.557%0.56743%0.433SS*.G310 helixtrans-57.1-28.8172.8-70.1-16.5000112.1D54 N55 Y58N52-D54 PolarHBondContact O-N 3.39Å; N52-N55 WeakPolarHBondContact O-CB 3.25Å; N52-N55 PolarHBondContact O-N 3.21Å; N52-N55 VanDerWaalsContact O-N 3.12Å; N52-Y58 HydrophobicContact CB-CE2 4.28Å; N52-Y58 WeakPolarHBondContact O-CD2 3.47Å; N52-Y58 WeakPolarHBondContact O-CE2 3.49Å
53A87.9Confident90.7Very high62 Ų6280.7 Ų80.751%0.51241%0.408SS..G310 helixtrans-67.5-17.3177.300000113.3S51 N55 F59S51-A53 PolarHBondContact O-N 3.31Å; S51-A53 VanDerWaalsContact O-N 3.13Å; S51-A53 PolarHBondContact OG-N 2.85Å; A53-N55 VanDerWaalsContact C-N 3.26Å; A53-F59 WeakPolarHBondContact O-CE2 3.41Å
54D87.1Confident91Very high86 Ų8678.7 Ų78.746%0.4639%0.389SS..G310 helixtrans-82.2-7.4175.6-56.6-55.6000112.3W45 S51 N52 E56W45-D54 HydrophobicContact CH2-CB 4.38Å; S51-D54 WeakPolarHBondContact CA-OD2 3.4Å; S51-D54 WeakPolarHBondContact CB-OD2 3.43Å; S51-D54 PolarHBondContact N-OD2 3.46Å; S51-D54 WeakPolarHBondContact O-CB 3.43Å; S51-D54 PolarHBondContact O-N 3.02Å; S51-D54 PolarHBondContact OG-OD2 2.75Å; N52-D54 PolarHBondContact O-N 3.39Å; D54-E56 PolarHBondContact O-N 3.49Å
55N91.3Very high91.3Very high29 Ų2980 Ų8016%0.15539%0.393CS..  trans-78.5112177.6-159.1-46.5000110.5K39 W45 N52 A53 F57 Y58K39-N55 PolarHBondContact O-ND2 2.99Å; W45-N55 HydrophobicContact CH2-CB 3.78Å; W45-N55 HydrophobicContact CZ2-CB 4.24Å; W45-N55 HydrophobicContact CZ3-CB 4.36Å; N52-N55 WeakPolarHBondContact O-CB 3.25Å; N52-N55 PolarHBondContact O-N 3.21Å; N52-N55 VanDerWaalsContact O-N 3.12Å; A53-N55 VanDerWaalsContact C-N 3.26Å; N55-F57 PolarHBondContact O-N 2.82Å; N55-F57 WeakPolarHBondContact OD1-CB 3.28Å; N55-F57 PolarHBondContact OD1-N 3.02Å; N55-F57 VanDerWaalsContact OD1-N 3.07Å; N55-Y58 HydrophobicContact CB-CD2 4.06Å; N55-Y58 HydrophobicContact CB-CE2 4.14Å; N55-Y58 WeakPolarHBondContact O-CD2 3.45Å; N55-Y58 PolarHBondContact O-N 3.22Å
56E89.4Confident91.8Very high34 Ų3480.4 Ų80.416%0.15940%0.398CS..THydrogen-bonded Turntrans-55.9-21.4179.7-179.1167.1-153.700114.6K39 D54 Y58 F59 R60 V123K39-E56 HydrophobicContact CD-CB 4.07Å; K39-E56 IonicContact NZ-OE2 2.98Å; K39-E56 PolarHBondContact NZ-OE2 2.61Å; D54-E56 PolarHBondContact O-N 3.49Å; E56-Y58 PolarHBondContact O-N 3.23Å; E56-F59 PolarHBondContact O-N 2.88Å; E56-R60 HydrophobicContact CG-CB 4.49Å; E56-R60 HydrophobicContact CG-CG 3.94Å; E56-R60 PolarHBondContact O-N 3.38Å; E56-R60 WeakPolarHBondContact OE1-CD 3.32Å; E56-R60 IonicContact OE1-CZ 3.71Å; E56-R60 IonicContact OE1-NE 3.76Å; E56-R60 PolarHBondContact OE1-NE 3.14Å; E56-R60 IonicContact OE1-NH2 3.52Å; E56-V123 HydrophobicContact CG-CG1 4.2Å
57F94.1Very high92.3Very high86 Ų8673.1 Ų73.138%0.37736%0.364SS..Hα-helixtrans-45.6-46.7168.9177.4-94.4000111.9N55 F59 R60 Y61N55-F57 PolarHBondContact O-N 2.82Å; N55-F57 WeakPolarHBondContact OD1-CB 3.28Å; N55-F57 PolarHBondContact OD1-N 3.02Å; N55-F57 VanDerWaalsContact OD1-N 3.07Å; F57-F59 VanDerWaalsContact C-N 3.25Å; F57-F59 PolarHBondContact O-N 3.18Å; F57-R60 PolarHBondContact O-N 3.21Å; F57-Y61 AromaticContact CD2-CD2 3.92Å; F57-Y61 HydrophobicContact CD2-CD2 3.92Å; F57-Y61 HydrophobicContact CD2-CG 4.04Å; F57-Y61 HydrophobicContact CE1-CD1 4.32Å; F57-Y61 HydrophobicContact CE1-CG 4.23Å; F57-Y61 HydrophobicContact CE2-CD1 4.01Å; F57-Y61 AromaticContact CE2-CD2 3.2Å; F57-Y61 HydrophobicContact CE2-CD2 3.2Å; F57-Y61 HydrophobicContact CE2-CE1 4.42Å; F57-Y61 AromaticContact CE2-CE2 3.69Å; F57-Y61 HydrophobicContact CE2-CE2 3.69Å; F57-Y61 AromaticContact CE2-CG 3.37Å; F57-Y61 HydrophobicContact CE2-CG 3.37Å; F57-Y61 AromaticContact CZ-CD1 3.63Å; F57-Y61 HydrophobicContact CZ-CD1 3.63Å; F57-Y61 AromaticContact CZ-CD2 3.74Å; F57-Y61 HydrophobicContact CZ-CD2 3.74Å; F57-Y61 HydrophobicContact CZ-CE1 4.01Å; F57-Y61 HydrophobicContact CZ-CE2 4.1Å; F57-Y61 AromaticContact CZ-CG 3.47Å; F57-Y61 HydrophobicContact CZ-CG 3.47Å; F57-Y61 VanDerWaalsContact CZ-CG 3.47Å; F57-Y61 WeakPolarHBondContact O-CB 3.46Å; F57-Y61 PolarHBondContact O-N 3.31Å
58Y94.1Very high92.8Very high135 Ų13567 Ų6753%0.52934%0.343SS..Hα-helixtrans-68-23-175.9-65.7-68.1000114.1N52 N55 E56N52-Y58 HydrophobicContact CB-CE2 4.28Å; N52-Y58 WeakPolarHBondContact O-CD2 3.47Å; N52-Y58 WeakPolarHBondContact O-CE2 3.49Å; N55-Y58 HydrophobicContact CB-CD2 4.06Å; N55-Y58 HydrophobicContact CB-CE2 4.14Å; N55-Y58 WeakPolarHBondContact O-CD2 3.45Å; N55-Y58 PolarHBondContact O-N 3.22Å; E56-Y58 PolarHBondContact O-N 3.23Å
59F93.3Very high93.6Very high113 Ų11366.5 Ų66.550%0.49634%0.336SS..Hα-helixtrans-96-28.5-179.5-58.4-71.8000113.1A53 E56 F57 L243A53-F59 WeakPolarHBondContact O-CE2 3.41Å; E56-F59 PolarHBondContact O-N 2.88Å; F57-F59 VanDerWaalsContact C-N 3.25Å; F57-F59 PolarHBondContact O-N 3.18Å; F59-L243 HydrophobicContact CB-CD1 4.32Å; F59-L243 HydrophobicContact CB-CD2 4.3Å
60R95.7Very high94.3Very high18 Ų1858.6 Ų58.67%0.06829%0.294CS..Hα-helixtrans-109.2-22.1-175.1-67-160.6-171.8-89.514115E56 F57 S63 F64 V123 E124 I127 A239 T241E56-R60 HydrophobicContact CG-CB 4.49Å; E56-R60 HydrophobicContact CG-CG 3.94Å; E56-R60 PolarHBondContact O-N 3.38Å; E56-R60 WeakPolarHBondContact OE1-CD 3.32Å; E56-R60 IonicContact OE1-CZ 3.71Å; E56-R60 IonicContact OE1-NE 3.76Å; E56-R60 PolarHBondContact OE1-NE 3.14Å; E56-R60 IonicContact OE1-NH2 3.52Å; F57-R60 PolarHBondContact O-N 3.21Å; R60-S63 PolarHBondContact O-N 2.97Å; R60-S63 VanDerWaalsContact O-N 3.15Å; R60-F64 PolarHBondContact O-N 2.91Å; R60-V123 HydrophobicContact CB-CG1 3.81Å; R60-V123 HydrophobicContact CB-CG2 4.14Å; R60-E124 IonicContact CZ-OE1 3.58Å; R60-E124 IonicContact NE-OE1 2.72Å; R60-E124 PolarHBondContact NE-OE1 3.46Å; R60-E124 IonicContact NH2-OE1 3.55Å; R60-E124 PolarHBondContact NH2-OE1 2.88Å; R60-I127 HydrophobicContact CB-CD1 4.08Å; R60-A239 PolarHBondContact NH1-O 2.91Å; R60-T241 PolarHBondContact NH1-O 3.49Å
61Y97.4Very high94.8Very high73 Ų7352.9 Ų52.929%0.28627%0.271SS..Hα-helixtrans-59.4-38.5-178.9-172.4-105.7000113.6F57 S63 F64 Q65 V123F57-Y61 AromaticContact CD2-CD2 3.92Å; F57-Y61 HydrophobicContact CD2-CD2 3.92Å; F57-Y61 HydrophobicContact CD2-CG 4.04Å; F57-Y61 HydrophobicContact CE1-CD1 4.32Å; F57-Y61 HydrophobicContact CE1-CG 4.23Å; F57-Y61 HydrophobicContact CE2-CD1 4.01Å; F57-Y61 AromaticContact CE2-CD2 3.2Å; F57-Y61 HydrophobicContact CE2-CD2 3.2Å; F57-Y61 HydrophobicContact CE2-CE1 4.42Å; F57-Y61 AromaticContact CE2-CE2 3.69Å; F57-Y61 HydrophobicContact CE2-CE2 3.69Å; F57-Y61 AromaticContact CE2-CG 3.37Å; F57-Y61 HydrophobicContact CE2-CG 3.37Å; F57-Y61 AromaticContact CZ-CD1 3.63Å; F57-Y61 HydrophobicContact CZ-CD1 3.63Å; F57-Y61 AromaticContact CZ-CD2 3.74Å; F57-Y61 HydrophobicContact CZ-CD2 3.74Å; F57-Y61 HydrophobicContact CZ-CE1 4.01Å; F57-Y61 HydrophobicContact CZ-CE2 4.1Å; F57-Y61 AromaticContact CZ-CG 3.47Å; F57-Y61 HydrophobicContact CZ-CG 3.47Å; F57-Y61 VanDerWaalsContact CZ-CG 3.47Å; F57-Y61 WeakPolarHBondContact O-CB 3.46Å; F57-Y61 PolarHBondContact O-N 3.31Å; Y61-S63 PolarHBondContact O-N 3Å; Y61-F64 AromaticContact CD2-CD1 3.61Å; Y61-F64 HydrophobicContact CD2-CD1 3.61Å; Y61-F64 HydrophobicContact CD2-CE1 4.28Å; Y61-F64 HydrophobicContact CD2-CG 4.46Å; Y61-F64 AromaticContact CE2-CD1 3.48Å; Y61-F64 HydrophobicContact CE2-CD1 3.48Å; Y61-F64 VanDerWaalsContact CE2-CD1 3.48Å; Y61-F64 AromaticContact CE2-CE1 3.68Å; Y61-F64 HydrophobicContact CE2-CE1 3.68Å; Y61-F64 HydrophobicContact CG-CD1 4.47Å; Y61-F64 WeakPolarHBondContact O-CB 3.31Å; Y61-F64 PolarHBondContact O-N 2.78Å; Y61-Q65 HydrophobicContact CD1-CG 4.03Å; Y61-Q65 HydrophobicContact CE1-CG 3.69Å; Y61-Q65 WeakPolarHBondContact O-CG 3.44Å; Y61-Q65 PolarHBondContact O-N 3.26Å; Y61-V123 HydrophobicContact CD2-CG2 4.42Å
62P98.1Very high95.3Very high63 Ų6352.1 Ų52.141%0.40926%0.261SS..Hα-helixtrans-59.6-44.7173.4-25.436.2000112.8F64 Q65 D66P62-F64 VanDerWaalsContact C-N 3.31Å; P62-F64 PolarHBondContact O-N 2.87Å; P62-Q65 PolarHBondContact O-N 3.5Å; P62-Q65 VanDerWaalsContact O-N 3.14Å; P62-D66 PolarHBondContact O-N 3.45Å; P62-D66 VanDerWaalsContact O-N 3.12Å
63S98.1Very high95.9Very high11 Ų1149 Ų498%0.07725%0.246CC..Hα-helixtrans-62.5-38.5175.2-55.40000112R60 Y61 D66 V67R60-S63 PolarHBondContact O-N 2.97Å; R60-S63 VanDerWaalsContact O-N 3.15Å; Y61-S63 PolarHBondContact O-N 3Å; S63-D66 PolarHBondContact O-N 2.69Å; S63-V67 VanDerWaalsContact O-CG2 3.31Å; S63-V67 WeakPolarHBondContact O-CG2 3.21Å; S63-V67 PolarHBondContact O-N 3.09Å
64F98.4Very high96.4Very high15 Ų1546.1 Ų46.17%0.06622%0.222CC..Hα-helixtrans-57.6-49171.4158.2-100.5000111.6R60 Y61 P62 D66 V67 H68 V123 M126 I127 D130R60-F64 PolarHBondContact O-N 2.91Å; Y61-F64 AromaticContact CD2-CD1 3.61Å; Y61-F64 HydrophobicContact CD2-CD1 3.61Å; Y61-F64 HydrophobicContact CD2-CE1 4.28Å; Y61-F64 HydrophobicContact CD2-CG 4.46Å; Y61-F64 AromaticContact CE2-CD1 3.48Å; Y61-F64 HydrophobicContact CE2-CD1 3.48Å; Y61-F64 VanDerWaalsContact CE2-CD1 3.48Å; Y61-F64 AromaticContact CE2-CE1 3.68Å; Y61-F64 HydrophobicContact CE2-CE1 3.68Å; Y61-F64 HydrophobicContact CG-CD1 4.47Å; Y61-F64 WeakPolarHBondContact O-CB 3.31Å; Y61-F64 PolarHBondContact O-N 2.78Å; P62-F64 VanDerWaalsContact C-N 3.31Å; P62-F64 PolarHBondContact O-N 2.87Å; F64-D66 VanDerWaalsContact C-N 3.27Å; F64-D66 PolarHBondContact O-N 3Å; F64-V67 PolarHBondContact O-N 3.29Å; F64-H68 HydrophobicContact CD2-CB 4.48Å; F64-H68 HydrophobicContact CE2-CB 3.96Å; F64-H68 AromaticContact CE2-CG 3.95Å; F64-H68 AromaticContact CE2-ND1 3.69Å; F64-H68 HydrophobicContact CZ-CB 3.98Å; F64-H68 AromaticContact CZ-CG 3.77Å; F64-H68 AromaticContact CZ-ND1 3.77Å; F64-H68 VanDerWaalsContact O-CB 3.27Å; F64-H68 WeakPolarHBondContact O-CB 3.47Å; F64-H68 PolarHBondContact O-N 3.49Å; F64-V123 HydrophobicContact CB-CG2 4.24Å; F64-M126 HydrophobicContact CD1-CE 3.85Å; F64-M126 HydrophobicContact CD2-CB 3.74Å; F64-M126 HydrophobicContact CD2-CE 3.93Å; F64-M126 HydrophobicContact CE1-CE 3.4Å; F64-M126 VanDerWaalsContact CE1-CE 3.4Å; F64-M126 HydrophobicContact CE2-CB 3.83Å; F64-M126 HydrophobicContact CE2-CE 3.5Å; F64-M126 VanDerWaalsContact CE2-CE 3.5Å; F64-M126 HydrophobicContact CG-CE 4.1Å; F64-M126 HydrophobicContact CZ-CE 3.22Å; F64-I127 HydrophobicContact CB-CD1 4.2Å; F64-I127 HydrophobicContact CB-CG1 3.68Å; F64-I127 HydrophobicContact CD2-CG1 4.44Å; F64-D130 WeakPolarHBondContact CE2-OD2 3.24Å
65Q98.8Very high96.9Very high97 Ų9742.6 Ų42.645%0.45320%0.202SC..Hα-helixtrans-59.3-40.7-178.1-68.5179.7-81.400111.8Y61 P62 H68 A69Y61-Q65 HydrophobicContact CD1-CG 4.03Å; Y61-Q65 HydrophobicContact CE1-CG 3.69Å; Y61-Q65 WeakPolarHBondContact O-CG 3.44Å; Y61-Q65 PolarHBondContact O-N 3.26Å; P62-Q65 PolarHBondContact O-N 3.5Å; P62-Q65 VanDerWaalsContact O-N 3.14Å; Q65-H68 PolarHBondContact O-N 3.37Å; Q65-A69 WeakPolarHBondContact O-CB 3.26Å; Q65-A69 PolarHBondContact O-N 3.3Å
66D98.8Very high97.2Very high37 Ų3741.2 Ų41.220%0.19820%0.195CC..Hα-helixtrans-64.4-48.3177.6-68.1-10000111.4P62 S63 F64 H68 A69 M70 F232 S235P62-D66 PolarHBondContact O-N 3.45Å; P62-D66 VanDerWaalsContact O-N 3.12Å; S63-D66 PolarHBondContact O-N 2.69Å; F64-D66 VanDerWaalsContact C-N 3.27Å; F64-D66 PolarHBondContact O-N 3Å; D66-H68 VanDerWaalsContact C-N 3.33Å; D66-H68 PolarHBondContact O-N 2.93Å; D66-A69 PolarHBondContact O-N 2.97Å; D66-M70 WeakPolarHBondContact O-CG 3.42Å; D66-M70 PolarHBondContact O-N 2.89Å; D66-F232 HydrophobicContact CB-CB 3.96Å; D66-F232 HydrophobicContact CB-CD1 3.76Å; D66-F232 HydrophobicContact CB-CE1 4.43Å; D66-F232 HydrophobicContact CB-CG 3.87Å; D66-F232 VanDerWaalsContact CG-CD1 3.45Å; D66-F232 WeakPolarHBondContact OD1-CD1 3.45Å; D66-F232 VanDerWaalsContact OD1-CE1 3.31Å; D66-F232 WeakPolarHBondContact OD1-CE1 3.26Å; D66-S235 WeakPolarHBondContact OD2-CB 3.37Å; D66-S235 PolarHBondContact OD2-OG 2.95Å
67V98.8Very high97.6Very high0 Ų042.4 Ų42.40%020%0.2CC..Hα-helixtrans-62.4-41.5176.5177.40000110.9S63 F64 A69 M70 V71 D130 F131 F236 A239S63-V67 VanDerWaalsContact O-CG2 3.31Å; S63-V67 WeakPolarHBondContact O-CG2 3.21Å; S63-V67 PolarHBondContact O-N 3.09Å; F64-V67 PolarHBondContact O-N 3.29Å; V67-A69 VanDerWaalsContact C-N 3.34Å; V67-A69 PolarHBondContact O-N 3.03Å; V67-M70 WeakPolarHBondContact O-CB 3.37Å; V67-M70 PolarHBondContact O-N 3.36Å; V67-M70 VanDerWaalsContact O-N 3.13Å; V67-V71 WeakPolarHBondContact O-CG2 2.97Å; V67-V71 PolarHBondContact O-N 2.88Å; V67-D130 HydrophobicContact CG1-CB 3.68Å; V67-F131 HydrophobicContact CG1-CD1 3.91Å; V67-F131 HydrophobicContact CG1-CE1 3.87Å; V67-F131 HydrophobicContact CG2-CE1 3.95Å; V67-F236 HydrophobicContact CG1-CD2 3.96Å; V67-F236 HydrophobicContact CG1-CE2 4.22Å; V67-F236 HydrophobicContact CG2-CB 4.25Å; V67-F236 HydrophobicContact CG2-CD2 4.06Å; V67-F236 HydrophobicContact CG2-CG 4.5Å; V67-A239 HydrophobicContact CG2-CB 4.3Å
68H98.8Very high97.8Very high62 Ų6238.9 Ų38.929%0.28719%0.185SC..Hα-helixtrans-63.4-41177.5-158.471.8000111.4F64 Q65 D66 M70 V71 F72 D130F64-H68 HydrophobicContact CD2-CB 4.48Å; F64-H68 HydrophobicContact CE2-CB 3.96Å; F64-H68 AromaticContact CE2-CG 3.95Å; F64-H68 AromaticContact CE2-ND1 3.69Å; F64-H68 HydrophobicContact CZ-CB 3.98Å; F64-H68 AromaticContact CZ-CG 3.77Å; F64-H68 AromaticContact CZ-ND1 3.77Å; F64-H68 VanDerWaalsContact O-CB 3.27Å; F64-H68 WeakPolarHBondContact O-CB 3.47Å; F64-H68 PolarHBondContact O-N 3.49Å; Q65-H68 PolarHBondContact O-N 3.37Å; D66-H68 VanDerWaalsContact C-N 3.33Å; D66-H68 PolarHBondContact O-N 2.93Å; H68-M70 VanDerWaalsContact C-N 3.31Å; H68-M70 PolarHBondContact O-N 2.89Å; H68-V71 PolarHBondContact O-N 3.2Å; H68-F72 AromaticContact CD2-CD2 3.94Å; H68-F72 AromaticContact CE1-CD2 3.8Å; H68-F72 AromaticContact CE1-CE2 3.17Å; H68-F72 WeakPolarHBondContact CE1-CE2 3.38Å; H68-F72 AromaticContact ND1-CD2 3.97Å; H68-F72 AromaticContact ND1-CE2 3.53Å; H68-F72 AromaticContact NE2-CD2 3.77Å; H68-F72 AromaticContact NE2-CE2 3.53Å; H68-F72 WeakPolarHBondContact O-CD2 3.38Å; H68-F72 PolarHBondContact O-N 3.28Å; H68-D130 WeakPolarHBondContact CA-OD1 3.27Å; H68-D130 IonicContact CE1-OD1 3.68Å; H68-D130 IonicContact CG-OD1 3.76Å; H68-D130 IonicContact ND1-OD1 2.78Å; H68-D130 PolarHBondContact ND1-OD1 3.48Å; H68-D130 IonicContact ND1-OD2 2.78Å; H68-D130 PolarHBondContact ND1-OD2 3.08Å
69A98.9Very high98Very high22 Ų2232.6 Ų32.618%0.18216%0.16CC..Hα-helixtrans-63.1-37.6173.600000111.9Q65 D66 V67 V73 G74 F228 F232Q65-A69 WeakPolarHBondContact O-CB 3.26Å; Q65-A69 PolarHBondContact O-N 3.3Å; D66-A69 PolarHBondContact O-N 2.97Å; V67-A69 VanDerWaalsContact C-N 3.34Å; V67-A69 PolarHBondContact O-N 3.03Å; A69-V73 WeakPolarHBondContact O-CA 3.47Å; A69-V73 VanDerWaalsContact O-CB 3.3Å; A69-V73 WeakPolarHBondContact O-CB 3.5Å; A69-V73 PolarHBondContact O-N 3.49Å; A69-G74 PolarHBondContact O-N 3.41Å; A69-F228 HydrophobicContact CB-CD1 4.2Å; A69-F232 HydrophobicContact CB-CD2 3.95Å; A69-F232 HydrophobicContact CB-CE2 3.8Å
70M98.8Very high98.2Very high3 Ų328 Ų282%0.01514%0.142CC..Iπ-helixtrans-62.3-40.5173-69.617767.100112.5D66 V67 H68 G74 F75 L229 F232 W233 F236D66-M70 WeakPolarHBondContact O-CG 3.42Å; D66-M70 PolarHBondContact O-N 2.89Å; V67-M70 WeakPolarHBondContact O-CB 3.37Å; V67-M70 PolarHBondContact O-N 3.36Å; V67-M70 VanDerWaalsContact O-N 3.13Å; H68-M70 VanDerWaalsContact C-N 3.31Å; H68-M70 PolarHBondContact O-N 2.89Å; M70-G74 CarbonylContact O-C 3.44Å; M70-G74 WeakPolarHBondContact O-CA 3.22Å; M70-G74 PolarHBondContact O-N 3.32Å; M70-G74 VanDerWaalsContact O-N 3.16Å; M70-F75 WeakPolarHBondContact O-CD2 3.3Å; M70-F75 PolarHBondContact O-N 3.4Å; M70-L229 HydrophobicContact CB-CD2 3.87Å; M70-L229 HydrophobicContact CE-CD2 3.83Å; M70-L229 HydrophobicContact CG-CD2 4.18Å; M70-F232 HydrophobicContact CG-CB 3.61Å; M70-F232 HydrophobicContact CG-CD2 4.48Å; M70-F232 HydrophobicContact SD-CB 3.64Å; M70-W233 HydrophobicContact CE-CB 4.36Å; M70-W233 HydrophobicContact CE-CD2 3.91Å; M70-W233 HydrophobicContact CE-CE3 4.03Å; M70-W233 HydrophobicContact CE-CG 4.08Å; M70-F236 HydrophobicContact CE-CB 3.88Å; M70-F236 HydrophobicContact CE-CD2 3.78Å; M70-F236 HydrophobicContact CE-CG 3.94Å; M70-F236 HydrophobicContact SD-CB 3.65Å; M70-F236 HydrophobicContact SD-CD2 3.91Å; M70-F236 HydrophobicContact SD-CG 4.15Å
71V98.8Very high98.3Very high1 Ų128.2 Ų28.21%0.00614%0.143CC..Iπ-helixtrans-65.3-53.6178.6171.50000111.4V67 H68 A97 D130 A133 L137V67-V71 WeakPolarHBondContact O-CG2 2.97Å; V67-V71 PolarHBondContact O-N 2.88Å; H68-V71 PolarHBondContact O-N 3.2Å; V71-A97 HydrophobicContact CG1-CB 3.64Å; V71-D130 HydrophobicContact CG2-CB 4.1Å; V71-A133 HydrophobicContact CG1-CB 4.2Å; V71-L137 HydrophobicContact CG1-CD1 3.82Å; V71-L137 WeakPolarHBondContact O-CD1 3.1Å
72F98.7Very high98.3Very high41 Ų4124.8 Ų24.818%0.1813%0.13CC..Iπ-helixtrans-87.2-40.4-171.6-68.6-84.2000113.7H68 F94 A97 L101H68-F72 AromaticContact CD2-CD2 3.94Å; H68-F72 AromaticContact CE1-CD2 3.8Å; H68-F72 AromaticContact CE1-CE2 3.17Å; H68-F72 WeakPolarHBondContact CE1-CE2 3.38Å; H68-F72 AromaticContact ND1-CD2 3.97Å; H68-F72 AromaticContact ND1-CE2 3.53Å; H68-F72 AromaticContact NE2-CD2 3.77Å; H68-F72 AromaticContact NE2-CE2 3.53Å; H68-F72 WeakPolarHBondContact O-CD2 3.38Å; H68-F72 PolarHBondContact O-N 3.28Å; F72-F94 AromaticContact CD1-CD2 3.67Å; F72-F94 HydrophobicContact CD1-CD2 3.67Å; F72-F94 HydrophobicContact CD1-CE2 4.17Å; F72-F94 AromaticContact CE1-CD2 3.54Å; F72-F94 HydrophobicContact CE1-CD2 3.54Å; F72-F94 AromaticContact CE1-CE2 3.92Å; F72-F94 HydrophobicContact CE1-CE2 3.92Å; F72-A97 HydrophobicContact CD1-CB 4.19Å; F72-A97 HydrophobicContact CE1-CB 3.45Å; F72-A97 VanDerWaalsContact CE1-CB 3.45Å; F72-A97 HydrophobicContact CE2-CB 4.32Å; F72-A97 HydrophobicContact CZ-CB 3.54Å; F72-L101 HydrophobicContact CE2-CD1 3.98Å; F72-L101 HydrophobicContact CZ-CD1 3.73Å
73V98.7Very high98.1Very high42 Ų4225.3 Ų25.326%0.25513%0.127SC..Iπ-helixtrans-92.6-49.1179.5-175.30000110.6A69 F77 I224 F228A69-V73 WeakPolarHBondContact O-CA 3.47Å; A69-V73 VanDerWaalsContact O-CB 3.3Å; A69-V73 WeakPolarHBondContact O-CB 3.5Å; A69-V73 PolarHBondContact O-N 3.49Å; V73-F77 HydrophobicContact CG1-CD2 3.91Å; V73-F77 HydrophobicContact CG1-CE2 4.41Å; V73-F77 WeakPolarHBondContact O-CB 3.29Å; V73-F77 PolarHBondContact O-N 3.49Å; V73-I224 HydrophobicContact CG1-CG2 4.19Å; V73-F228 HydrophobicContact CB-CD1 3.99Å; V73-F228 HydrophobicContact CB-CE1 4.38Å; V73-F228 HydrophobicContact CB-CG 4.23Å; V73-F228 HydrophobicContact CG1-CB 4.31Å; V73-F228 HydrophobicContact CG1-CD1 3.87Å; V73-F228 HydrophobicContact CG1-CD2 3.89Å; V73-F228 HydrophobicContact CG1-CE1 4.12Å; V73-F228 HydrophobicContact CG1-CE2 4.13Å; V73-F228 HydrophobicContact CG1-CG 3.74Å; V73-F228 HydrophobicContact CG1-CZ 4.25Å
74G98.7Very high98Very high0 Ų028.6 Ų28.60%014%0.137CC..Iπ-helixtrans-56-71.1-176.900000113.2A69 M70 G76 L78 G225A69-G74 PolarHBondContact O-N 3.41Å; M70-G74 CarbonylContact O-C 3.44Å; M70-G74 WeakPolarHBondContact O-CA 3.22Å; M70-G74 PolarHBondContact O-N 3.32Å; M70-G74 VanDerWaalsContact O-N 3.16Å; G74-G76 VanDerWaalsContact C-N 3.35Å; G74-G76 PolarHBondContact O-N 3.01Å; G74-L78 WeakPolarHBondContact O-CB 3.23Å; G74-L78 PolarHBondContact O-N 3.21Å; G74-G225 WeakPolarHBondContact CA-O 3.27Å; G74-G225 CarbonylContact O-C 3.58Å; G74-G225 WeakPolarHBondContact O-CA 3.41Å
75F98.1Very high98Very high12 Ų1228.1 Ų28.15%0.05314%0.135CC..Iπ-helixtrans-61.4-43176.6-81.2-79.6000112.1M70 F77 L78 M79 L137 I138 L229 H345M70-F75 WeakPolarHBondContact O-CD2 3.3Å; M70-F75 PolarHBondContact O-N 3.4Å; F75-F77 PolarHBondContact O-N 2.93Å; F75-L78 PolarHBondContact O-N 2.91Å; F75-M79 HydrophobicContact CB-CE 4.11Å; F75-M79 WeakPolarHBondContact O-CE 3.34Å; F75-M79 PolarHBondContact O-N 2.96Å; F75-L137 HydrophobicContact CB-CB 4.21Å; F75-L137 HydrophobicContact CB-CD1 3.78Å; F75-L137 HydrophobicContact CD1-CB 3.95Å; F75-L137 HydrophobicContact CD2-CB 4.39Å; F75-L137 HydrophobicContact CD2-CD1 4.19Å; F75-L137 HydrophobicContact CE1-CB 4.43Å; F75-L137 HydrophobicContact CG-CB 3.93Å; F75-L137 HydrophobicContact CG-CD1 4.06Å; F75-I138 HydrophobicContact CE1-CG1 3.72Å; F75-I138 HydrophobicContact CZ-CD1 4.32Å; F75-I138 HydrophobicContact CZ-CG1 3.74Å; F75-L229 HydrophobicContact CD2-CD2 4.07Å; F75-L229 HydrophobicContact CE2-CD2 4.13Å; F75-H345 AromaticContact CE1-NE2 3.92Å
76G96.4Very high98Very high0 Ų024.2 Ų24.20%012%0.121CC..Hα-helixtrans-55.8-50.5-177.100000112.7G74 V80G74-G76 VanDerWaalsContact C-N 3.35Å; G74-G76 PolarHBondContact O-N 3.01Å; G76-V80 WeakPolarHBondContact O-CG2 3.18Å
77F98.4Very high97.9Very high60 Ų6026.8 Ų26.826%0.26313%0.13SC..Hα-helixtrans-79.5-34.5178.6-82.8-91.5000113.1V73 F75 M79 V80 V90 F221 A222 I224V73-F77 HydrophobicContact CG1-CD2 3.91Å; V73-F77 HydrophobicContact CG1-CE2 4.41Å; V73-F77 WeakPolarHBondContact O-CB 3.29Å; V73-F77 PolarHBondContact O-N 3.49Å; F75-F77 PolarHBondContact O-N 2.93Å; F77-M79 PolarHBondContact O-N 3.4Å; F77-M79 VanDerWaalsContact O-N 3.13Å; F77-V80 VanDerWaalsContact O-CB 3.27Å; F77-V80 WeakPolarHBondContact O-CB 3.43Å; F77-V80 PolarHBondContact O-N 3.25Å; F77-V90 HydrophobicContact CE2-CG2 4.49Å; F77-F221 HydrophobicContact CD1-CB 4.29Å; F77-F221 HydrophobicContact CD1-CD1 4.25Å; F77-F221 AromaticContact CE1-CD1 3.98Å; F77-F221 HydrophobicContact CE1-CD1 3.98Å; F77-A222 VanDerWaalsContact O-CA 3.28Å; F77-A222 WeakPolarHBondContact O-CA 3.43Å; F77-I224 HydrophobicContact CB-CB 4.31Å; F77-I224 HydrophobicContact CD1-CB 4.42Å; F77-I224 HydrophobicContact CD1-CD1 4.41Å; F77-I224 HydrophobicContact CG-CB 4.41Å; F77-I224 HydrophobicContact CG-CG2 4.37Å
78L98.3Very high97.9Very high11 Ų1126.8 Ų26.86%0.05813%0.13CC..Hα-helixtrans-54-37.9178.2177.864.6000111.5G74 F75 V80 T226 L229 Q284 L288G74-L78 WeakPolarHBondContact O-CB 3.23Å; G74-L78 PolarHBondContact O-N 3.21Å; F75-L78 PolarHBondContact O-N 2.91Å; L78-V80 VanDerWaalsContact C-N 3.29Å; L78-V80 PolarHBondContact O-N 2.99Å; L78-T226 WeakPolarHBondContact CD1-OG1 3.17Å; L78-L229 HydrophobicContact CB-CD1 4.28Å; L78-L229 HydrophobicContact CD2-CD1 3.66Å; L78-Q284 HydrophobicContact CD1-CB 4.07Å; L78-L288 HydrophobicContact CD2-CD1 4.32Å
79M97.9Very high97.8Very high4 Ų423.8 Ų23.82%0.0212%0.117CC..G310 helixtrans-77.7-5.6179.2-70.9-173.1-78.500114.6F75 F77 F81 S89 T93 L140 L144F75-M79 HydrophobicContact CB-CE 4.11Å; F75-M79 WeakPolarHBondContact O-CE 3.34Å; F75-M79 PolarHBondContact O-N 2.96Å; F77-M79 PolarHBondContact O-N 3.4Å; F77-M79 VanDerWaalsContact O-N 3.13Å; M79-F81 PolarHBondContact O-N 3.27Å; M79-S89 WeakPolarHBondContact O-CB 3.21Å; M79-S89 PolarHBondContact O-OG 3.43Å; M79-T93 HydrophobicContact CE-CG2 4.43Å; M79-T93 WeakPolarHBondContact CE-OG1 3.18Å; M79-L140 HydrophobicContact CE-CD2 3.77Å; M79-L140 HydrophobicContact CE-CG 4.47Å; M79-L140 HydrophobicContact SD-CD2 3.91Å; M79-L140 HydrophobicContact SD-CG 4.01Å; M79-L144 HydrophobicContact CB-CD2 3.72Å; M79-L144 HydrophobicContact CG-CD2 3.95Å; M79-L144 HydrophobicContact SD-CD1 4.17Å; M79-L144 HydrophobicContact SD-CD2 4.1Å
80V97.1Very high97.8Very high17 Ų1725.3 Ų25.310%0.10312%0.123CC..G310 helixtrans-76.5-2.3179.8177.40000112.3G76 F77 L78 L82 V90 S218 F221G76-V80 WeakPolarHBondContact O-CG2 3.18Å; F77-V80 VanDerWaalsContact O-CB 3.27Å; F77-V80 WeakPolarHBondContact O-CB 3.43Å; F77-V80 PolarHBondContact O-N 3.25Å; L78-V80 VanDerWaalsContact C-N 3.29Å; L78-V80 PolarHBondContact O-N 2.99Å; V80-L82 PolarHBondContact O-N 3.36Å; V80-V90 HydrophobicContact CG2-CB 4.42Å; V80-S218 WeakPolarHBondContact O-CB 3.41Å; V80-F221 HydrophobicContact CB-CB 4.44Å; V80-F221 HydrophobicContact CG1-CB 3.9Å
81F97.8Very high97.8Very high22 Ų2225.9 Ų25.910%0.09613%0.13CC..G310 helixtrans-54.9-29.8177.182.3-84.4000113M79 Q83 S214 S218 A222 T338M79-F81 PolarHBondContact O-N 3.27Å; F81-Q83 PolarHBondContact O-N 3.05Å; F81-S214 WeakPolarHBondContact O-CA 3.17Å; F81-S214 WeakPolarHBondContact O-CB 3.31Å; F81-S218 WeakPolarHBondContact O-CB 3.39Å; F81-S218 PolarHBondContact O-OG 2.9Å; F81-A222 HydrophobicContact CB-CB 3.83Å; F81-T338 HydrophobicContact CZ-CG2 4.3Å
82L97.3Very high97.7Very high1 Ų126.4 Ų26.41%0.00513%0.132CC..SBendtrans-64112.5176.1-72172.1000111.8V80 R84 Y85 L144 Q212 T338 Y429V80-L82 PolarHBondContact O-N 3.36Å; L82-R84 PolarHBondContact O-N 3.04Å; L82-Y85 HydrophobicContact CD1-CD1 3.94Å; L82-Y85 HydrophobicContact CD1-CG 4.21Å; L82-Y85 PolarHBondContact O-N 3.43Å; L82-Y85 VanDerWaalsContact O-N 3.09Å; L82-L144 HydrophobicContact CD1-CD2 3.66Å; L82-L144 HydrophobicContact CD1-CG 3.95Å; L82-Q212 HydrophobicContact CD2-CG 4.37Å; L82-T338 HydrophobicContact CD1-CG2 4.05Å; L82-T338 HydrophobicContact CD2-CG2 4.44Å; L82-Y429 HydrophobicContact CD1-CD1 3.89Å; L82-Y429 HydrophobicContact CD1-CE1 4.49Å; L82-Y429 HydrophobicContact CD2-CD1 3.94Å; L82-Y429 HydrophobicContact CD2-CE1 4.5Å
83Q95.2Very high97.7Very high73 Ų7324.4 Ų24.434%0.34112%0.124SC..THydrogen-bonded Turntrans-54.9-27.3-169.759175-27.900116.4F81 H210 G213 V215F81-Q83 PolarHBondContact O-N 3.05Å; Q83-H210 PolarHBondContact NE2-O 3.06Å; Q83-G213 WeakPolarHBondContact CG-O 3.32Å; Q83-G213 PolarHBondContact N-O 3.09Å; Q83-V215 HydrophobicContact CB-CB 4.44Å; Q83-V215 HydrophobicContact CB-CG1 3.93Å; Q83-V215 HydrophobicContact CB-CG2 3.96Å
84R96.3Very high97.7Very high81 Ų8128.8 Ų28.831%0.30614%0.14SC..THydrogen-bonded Turntrans-127.824.6-180-62.3-169.480.9-162.111.5113.2L82 E430 D431 E440L82-R84 PolarHBondContact O-N 3.04Å; R84-E430 IonicContact CZ-OE1 3.47Å; R84-E430 IonicContact CZ-OE2 2.79Å; R84-E430 VanDerWaalsContact CZ-OE2 3.23Å; R84-E430 IonicContact NE-OE1 3.72Å; R84-E430 IonicContact NE-OE2 3.58Å; R84-E430 IonicContact NH1-OE1 3.44Å; R84-E430 IonicContact NH1-OE2 3.82Å; R84-E430 PolarHBondContact NH1-OE2 3.42Å; R84-E430 IonicContact NH2-OE1 3.58Å; R84-E430 IonicContact NH2-OE2 3.02Å; R84-E430 CarbonylContact O-C 3.59Å; R84-E430 WeakPolarHBondContact O-CA 3.2Å; R84-D431 PolarHBondContact O-N 3.34Å; R84-E440 IonicContact CZ-OE1 3.15Å; R84-E440 IonicContact NE-OE1 2.75Å; R84-E440 IonicContact NH2-OE1 2.74Å; R84-E440 PolarHBondContact NH2-OE1 3.25Å; R84-E440 IonicContact NH2-OE2 3.78Å; R84-E440 PolarHBondContact NH2-OE2 2.86Å; R84-E440 VanDerWaalsContact NH2-OE2 3.09Å
85Y97.9Very high97.7Very high5 Ų531.1 Ų31.12%0.0215%0.152CC..  trans-131.817.8-179.5-151.2-109.9000113L82 F87 S88 S89 L144 G145 T147 E430 D431L82-Y85 HydrophobicContact CD1-CD1 3.94Å; L82-Y85 HydrophobicContact CD1-CG 4.21Å; L82-Y85 PolarHBondContact O-N 3.43Å; L82-Y85 VanDerWaalsContact O-N 3.09Å; Y85-F87 PolarHBondContact O-N 2.94Å; Y85-S88 WeakPolarHBondContact CE2-OG 3.47Å; Y85-S88 PolarHBondContact O-N 3.48Å; Y85-S89 WeakPolarHBondContact O-CB 3.13Å; Y85-S89 PolarHBondContact O-N 3.19Å; Y85-S89 PolarHBondContact O-OG 2.92Å; Y85-L144 HydrophobicContact CD1-CD1 4.13Å; Y85-L144 HydrophobicContact CD1-CG 4.21Å; Y85-L144 HydrophobicContact CE1-CD1 3.86Å; Y85-L144 HydrophobicContact CE1-CG 4.2Å; Y85-G145 VanDerWaalsContact CE1-CA 3.44Å; Y85-G145 VanDerWaalsContact CE1-N 3.32Å; Y85-G145 VanDerWaalsContact CZ-CA 3.45Å; Y85-T147 PolarHBondContact OH-O 3.22Å; Y85-E430 VanDerWaalsContact CD2-N 3.32Å; Y85-D431 VanDerWaalsContact CA-CG 3.5Å; Y85-D431 WeakPolarHBondContact CA-OD1 3.18Å; Y85-D431 VanDerWaalsContact CA-OD2 3.28Å; Y85-D431 WeakPolarHBondContact CA-OD2 3.42Å
86G97.5Very high97.8Very high15 Ų1530.6 Ų30.616%0.15515%0.15CC..Hα-helixtrans-63.2-39.1-175.400000113.6S89 V90 D431G86-S89 PolarHBondContact O-N 3.32Å; G86-V90 WeakPolarHBondContact O-CG1 3.33Å; G86-V90 PolarHBondContact O-N 2.86Å; G86-V90 VanDerWaalsContact O-N 3.15Å; G86-D431 PolarHBondContact N-OD2 3.05Å
87F98.1Very high97.9Very high90 Ų9030.6 Ų30.640%0.39515%0.15SC..Hα-helixtrans-68.1-44.7179.6-69.97.8000110.6Y85 G91 D431 W435Y85-F87 PolarHBondContact O-N 2.94Å; F87-G91 VanDerWaalsContact O-CA 3.3Å; F87-G91 WeakPolarHBondContact O-CA 3.32Å; F87-G91 PolarHBondContact O-N 3.09Å; F87-D431 HydrophobicContact CB-CB 4.4Å; F87-D431 PolarHBondContact N-OD2 3.03Å; F87-W435 HydrophobicContact CB-CD2 3.92Å; F87-W435 HydrophobicContact CB-CG 3.88Å; F87-W435 HydrophobicContact CD2-CB 3.93Å; F87-W435 HydrophobicContact CD2-CD2 4.34Å; F87-W435 HydrophobicContact CD2-CG 4.07Å
88S98.1Very high97.9Very high0 Ų029.5 Ų29.50%015%0.152CC..Hα-helixtrans-66.2-40176.6-60.20000111.7Y85 F92 D431 W435Y85-S88 WeakPolarHBondContact CE2-OG 3.47Å; Y85-S88 PolarHBondContact O-N 3.48Å; S88-F92 WeakPolarHBondContact O-CA 3.5Å; S88-F92 WeakPolarHBondContact O-CB 3.45Å; S88-F92 WeakPolarHBondContact O-CD2 3.42Å; S88-F92 VanDerWaalsContact O-CG 3.23Å; S88-F92 WeakPolarHBondContact O-CG 3.38Å; S88-F92 PolarHBondContact O-N 2.68Å; S88-D431 WeakPolarHBondContact CB-OD1 3.48Å; S88-D431 PolarHBondContact N-OD1 2.83Å; S88-D431 PolarHBondContact OG-OD1 3.48Å; S88-W435 VanDerWaalsContact OG-CD1 3.31Å; S88-W435 PolarHBondContact OG-NE1 2.96Å
89S97.2Very high97.9Very high0 Ų029.6 Ų29.60%015%0.152CC..Hα-helixtrans-57.5-57.1176.4-71.40000111.8M79 Y85 G86 T93M79-S89 WeakPolarHBondContact O-CB 3.21Å; M79-S89 PolarHBondContact O-OG 3.43Å; Y85-S89 WeakPolarHBondContact O-CB 3.13Å; Y85-S89 PolarHBondContact O-N 3.19Å; Y85-S89 PolarHBondContact O-OG 2.92Å; G86-S89 PolarHBondContact O-N 3.32Å; S89-T93 VanDerWaalsContact O-CB 3.24Å; S89-T93 WeakPolarHBondContact O-CB 3.42Å; S89-T93 PolarHBondContact O-N 2.63Å; S89-T93 PolarHBondContact O-OG1 2.83Å
90V97.9Very high98Very high53 Ų5329.4 Ų29.432%0.32115%0.151SC..Hα-helixtrans-74.3-40.3-178.673.60000112.2F77 V80 G86 T93 F94F77-V90 HydrophobicContact CE2-CG2 4.49Å; V80-V90 HydrophobicContact CG2-CB 4.42Å; G86-V90 WeakPolarHBondContact O-CG1 3.33Å; G86-V90 PolarHBondContact O-N 2.86Å; G86-V90 VanDerWaalsContact O-N 3.15Å; V90-T93 PolarHBondContact O-N 2.88Å; V90-F94 WeakPolarHBondContact O-CB 3.46Å; V90-F94 PolarHBondContact O-N 3.4Å
91G98.5Very high98.1Very high16 Ų1630 Ų3017%0.16515%0.153CC..Hα-helixtrans-70.9-40.8-176.100000113.3F87 F94 L95F87-G91 VanDerWaalsContact O-CA 3.3Å; F87-G91 WeakPolarHBondContact O-CA 3.32Å; F87-G91 PolarHBondContact O-N 3.09Å; G91-F94 PolarHBondContact O-N 3.42Å; G91-L95 WeakPolarHBondContact O-CB 3.32Å; G91-L95 PolarHBondContact O-N 2.92Å
92F98.4Very high98.1Very high11 Ų1131.5 Ų31.55%0.04816%0.161CC..Hα-helixtrans-77.1-30.3175.8-58.1-20.2000112.1S88 F94 L95 L96 P149 L152 H434 W435S88-F92 WeakPolarHBondContact O-CA 3.5Å; S88-F92 WeakPolarHBondContact O-CB 3.45Å; S88-F92 WeakPolarHBondContact O-CD2 3.42Å; S88-F92 VanDerWaalsContact O-CG 3.23Å; S88-F92 WeakPolarHBondContact O-CG 3.38Å; S88-F92 PolarHBondContact O-N 2.68Å; F92-F94 VanDerWaalsContact C-N 3.31Å; F92-L95 PolarHBondContact O-N 3.41Å; F92-L96 WeakPolarHBondContact O-CB 3.48Å; F92-L96 VanDerWaalsContact O-CG 3.29Å; F92-L96 WeakPolarHBondContact O-CG 3.49Å; F92-L96 PolarHBondContact O-N 3.4Å; F92-P149 HydrophobicContact CD1-CB 4.13Å; F92-P149 HydrophobicContact CE1-CB 3.83Å; F92-P149 HydrophobicContact CE1-CG 4.07Å; F92-P149 HydrophobicContact CZ-CB 4.15Å; F92-P149 HydrophobicContact CZ-CG 4.06Å; F92-L152 HydrophobicContact CB-CD1 3.84Å; F92-L152 HydrophobicContact CD2-CD1 3.78Å; F92-L152 HydrophobicContact CG-CD1 4.05Å; F92-H434 HydrophobicContact CZ-CB 3.94Å; F92-H434 AromaticContact CZ-CD2 3.83Å; F92-H434 AromaticContact CZ-CG 3.93Å; F92-W435 HydrophobicContact CD1-CZ2 4.16Å; F92-W435 AromaticContact CE1-CZ2 3.8Å; F92-W435 HydrophobicContact CE1-CZ2 3.8Å; F92-W435 AromaticContact CZ-NE1 3.94Å
93T98.7Very high98.2Very high0 Ų033.3 Ų33.30%017%0.167CC..Hα-helixtrans-56.8-49.3166.3-64.60000110.5M79 S89 V90 L95 L96 A97 L137M79-T93 HydrophobicContact CE-CG2 4.43Å; M79-T93 WeakPolarHBondContact CE-OG1 3.18Å; S89-T93 VanDerWaalsContact O-CB 3.24Å; S89-T93 WeakPolarHBondContact O-CB 3.42Å; S89-T93 PolarHBondContact O-N 2.63Å; S89-T93 PolarHBondContact O-OG1 2.83Å; V90-T93 PolarHBondContact O-N 2.88Å; T93-L95 PolarHBondContact O-N 3.45Å; T93-L96 PolarHBondContact O-N 2.89Å; T93-A97 VanDerWaalsContact O-CB 3.28Å; T93-A97 WeakPolarHBondContact O-CB 3.24Å; T93-A97 PolarHBondContact O-N 3.27Å; T93-L137 HydrophobicContact CG2-CD1 3.8Å; T93-L137 HydrophobicContact CG2-CD2 3.73Å; T93-L137 HydrophobicContact CG2-CG 4.42Å
94F98.8Very high98.4Very high133 Ų13329.9 Ų29.958%0.58315%0.151SC*.Hα-helixtrans-60.7-47.4179.5-172.9-162.8000111.8F72 V90 G91 F92 L96 A98F72-F94 AromaticContact CD1-CD2 3.67Å; F72-F94 HydrophobicContact CD1-CD2 3.67Å; F72-F94 HydrophobicContact CD1-CE2 4.17Å; F72-F94 AromaticContact CE1-CD2 3.54Å; F72-F94 HydrophobicContact CE1-CD2 3.54Å; F72-F94 AromaticContact CE1-CE2 3.92Å; F72-F94 HydrophobicContact CE1-CE2 3.92Å; V90-F94 WeakPolarHBondContact O-CB 3.46Å; V90-F94 PolarHBondContact O-N 3.4Å; G91-F94 PolarHBondContact O-N 3.42Å; F92-F94 VanDerWaalsContact C-N 3.31Å; F94-L96 PolarHBondContact O-N 2.96Å; F94-A98 VanDerWaalsContact O-CB 3.26Å; F94-A98 WeakPolarHBondContact O-CB 3.46Å; F94-A98 PolarHBondContact O-N 3.14Å
95L98.8Very high98.5Very high50 Ų5027 Ų2726%0.26214%0.143SC..Hα-helixtrans-58.1-49.1177.3176.663.9000112.2L15 G91 F92 T93 F99 P149 L153L15-L95 HydrophobicContact CD1-CD2 4.44Å; G91-L95 WeakPolarHBondContact O-CB 3.32Å; G91-L95 PolarHBondContact O-N 2.92Å; F92-L95 PolarHBondContact O-N 3.41Å; T93-L95 PolarHBondContact O-N 3.45Å; L95-F99 PolarHBondContact O-N 2.75Å; L95-P149 HydrophobicContact CD2-CB 4.01Å; L95-L153 HydrophobicContact CD1-CD2 4.31Å; L95-L153 HydrophobicContact CD2-CD1 4.28Å; L95-L153 HydrophobicContact CD2-CD2 4.46Å; L95-L153 HydrophobicContact CD2-CG 4.27Å; L95-L153 HydrophobicContact CG-CD2 4.12Å; L95-L153 HydrophobicContact CG-CG 4.47Å
96L98.8Very high98.5Very high0 Ų026.8 Ų26.80%014%0.142CC..Hα-helixtrans-67.2-46.6-177.3-73.5175.1000111.8F92 T93 F94 A98 F99 A100 L137 L140 L152 A156F92-L96 WeakPolarHBondContact O-CB 3.48Å; F92-L96 VanDerWaalsContact O-CG 3.29Å; F92-L96 WeakPolarHBondContact O-CG 3.49Å; F92-L96 PolarHBondContact O-N 3.4Å; T93-L96 PolarHBondContact O-N 2.89Å; F94-L96 PolarHBondContact O-N 2.96Å; L96-A98 PolarHBondContact O-N 2.77Å; L96-F99 PolarHBondContact O-N 2.9Å; L96-A100 VanDerWaalsContact O-CB 3.23Å; L96-A100 WeakPolarHBondContact O-CB 3.47Å; L96-A100 PolarHBondContact O-N 2.68Å; L96-L137 HydrophobicContact CB-CD2 4.34Å; L96-L140 HydrophobicContact CD1-CB 4.18Å; L96-L140 HydrophobicContact CD1-CD1 4.24Å; L96-L140 HydrophobicContact CD1-CD2 3.88Å; L96-L140 HydrophobicContact CD1-CG 4.31Å; L96-L152 HydrophobicContact CD1-CB 4.01Å; L96-L152 HydrophobicContact CD1-CD1 4.29Å; L96-L152 HydrophobicContact CD1-CD2 4.31Å; L96-L152 HydrophobicContact CD1-CG 4.44Å; L96-L152 HydrophobicContact CD2-CB 3.65Å; L96-L152 WeakPolarHBondContact CD2-O 3.23Å; L96-L152 HydrophobicContact CG-CB 4.13Å; L96-A156 HydrophobicContact CD2-CB 3.81Å
97A98.8Very high98.6Very high0 Ų027.1 Ų27.10%014%0.14CC..Hα-helixtrans-60.6-47.5178.500000110.6V71 F72 T93 F99 A100 L101V71-A97 HydrophobicContact CG1-CB 3.64Å; F72-A97 HydrophobicContact CD1-CB 4.19Å; F72-A97 HydrophobicContact CE1-CB 3.45Å; F72-A97 VanDerWaalsContact CE1-CB 3.45Å; F72-A97 HydrophobicContact CE2-CB 4.32Å; F72-A97 HydrophobicContact CZ-CB 3.54Å; T93-A97 VanDerWaalsContact O-CB 3.28Å; T93-A97 WeakPolarHBondContact O-CB 3.24Å; T93-A97 PolarHBondContact O-N 3.27Å; A97-F99 VanDerWaalsContact C-N 3.26Å; A97-F99 PolarHBondContact O-N 3.41Å; A97-A100 PolarHBondContact O-N 2.96Å; A97-A100 VanDerWaalsContact O-N 3.15Å; A97-L101 VanDerWaalsContact O-CG 3.25Å; A97-L101 WeakPolarHBondContact O-CG 3.41Å; A97-L101 PolarHBondContact O-N 3.21Å
98A98.9Very high98.6Very high37 Ų3723.4 Ų23.431%0.30612%0.124SC..Hα-helixtrans-58.7-36.117900000113.5F94 L96 Q102F94-A98 VanDerWaalsContact O-CB 3.26Å; F94-A98 WeakPolarHBondContact O-CB 3.46Å; F94-A98 PolarHBondContact O-N 3.14Å; L96-A98 PolarHBondContact O-N 2.77Å; A98-Q102 PolarHBondContact O-NE2 3.31Å; A98-Q102 VanDerWaalsContact O-NE2 3.1Å
99F98.9Very high98.6Very high13 Ų1323.6 Ų23.66%0.05713%0.126CC..Hα-helixtrans-74.2-47.4173.4173.2-115.9000112.1L22 L95 L96 A97 L101 Q102 W103 L153 A156 L157L22-F99 HydrophobicContact CB-CD2 4.34Å; L22-F99 HydrophobicContact CB-CE2 3.93Å; L22-F99 HydrophobicContact CD1-CD2 4.47Å; L22-F99 HydrophobicContact CD1-CE1 4.46Å; L22-F99 HydrophobicContact CD1-CE2 4.11Å; L22-F99 HydrophobicContact CD1-CZ 4.11Å; L22-F99 HydrophobicContact CD2-CE2 4.22Å; L22-F99 HydrophobicContact CD2-CZ 4.12Å; L22-F99 HydrophobicContact CG-CE2 4.31Å; L95-F99 PolarHBondContact O-N 2.75Å; L96-F99 PolarHBondContact O-N 2.9Å; A97-F99 VanDerWaalsContact C-N 3.26Å; A97-F99 PolarHBondContact O-N 3.41Å; F99-L101 VanDerWaalsContact C-N 3.32Å; F99-L101 PolarHBondContact O-N 3.16Å; F99-Q102 PolarHBondContact O-N 2.99Å; F99-W103 HydrophobicContact CE1-CB 4.42Å; F99-W103 HydrophobicContact CE1-CG 4.48Å; F99-W103 HydrophobicContact CE2-CB 4.1Å; F99-W103 HydrophobicContact CE2-CG 4.44Å; F99-W103 HydrophobicContact CZ-CB 4Å; F99-W103 AromaticContact CZ-CG 3.97Å; F99-W103 HydrophobicContact CZ-CG 3.97Å; F99-W103 WeakPolarHBondContact O-CB 3.48Å; F99-W103 PolarHBondContact O-N 2.71Å; F99-L153 HydrophobicContact CB-CD2 4.04Å; F99-L153 HydrophobicContact CD1-CD2 4.06Å; F99-L153 HydrophobicContact CG-CD2 4.09Å; F99-A156 HydrophobicContact CD1-CB 3.89Å; F99-A156 HydrophobicContact CE1-CB 4.09Å; F99-L157 HydrophobicContact CE1-CB 4.14Å; F99-L157 HydrophobicContact CZ-CB 4.3Å; F99-L157 HydrophobicContact CZ-CD1 3.88Å
100A98.9Very high98.6Very high0 Ų027 Ų270%014%0.141CC..Hα-helixtrans-60.5-38.5-177.900000112.3L96 A97 Q102 W103 S104 A133 V160L96-A100 VanDerWaalsContact O-CB 3.23Å; L96-A100 WeakPolarHBondContact O-CB 3.47Å; L96-A100 PolarHBondContact O-N 2.68Å; A97-A100 PolarHBondContact O-N 2.96Å; A97-A100 VanDerWaalsContact O-N 3.15Å; A100-Q102 PolarHBondContact O-N 3.33Å; A100-W103 PolarHBondContact O-N 2.92Å; A100-S104 WeakPolarHBondContact O-CA 3.37Å; A100-S104 WeakPolarHBondContact O-CB 3.22Å; A100-S104 PolarHBondContact O-N 2.92Å; A100-A133 HydrophobicContact CB-CB 3.96Å; A100-V160 HydrophobicContact CB-CG2 4.08Å
101L98.9Very high98.6Very high31 Ų3127.1 Ų27.116%0.16214%0.139CC..Hα-helixtrans-57.2-47.9177-69.5178.2000112F72 A97 F99 T105 A129 D130 A133F72-L101 HydrophobicContact CE2-CD1 3.98Å; F72-L101 HydrophobicContact CZ-CD1 3.73Å; A97-L101 VanDerWaalsContact O-CG 3.25Å; A97-L101 WeakPolarHBondContact O-CG 3.41Å; A97-L101 PolarHBondContact O-N 3.21Å; F99-L101 VanDerWaalsContact C-N 3.32Å; F99-L101 PolarHBondContact O-N 3.16Å; L101-T105 WeakPolarHBondContact O-CB 3.41Å; L101-T105 PolarHBondContact O-N 3.43Å; L101-T105 VanDerWaalsContact O-N 3.16Å; L101-T105 PolarHBondContact O-OG1 3.42Å; L101-A129 HydrophobicContact CD2-CB 4.07Å; L101-D130 HydrophobicContact CD2-CB 4.17Å; L101-D130 VanDerWaalsContact CD2-CG 3.47Å; L101-D130 VanDerWaalsContact CD2-OD2 3.25Å; L101-D130 WeakPolarHBondContact CD2-OD2 3.22Å; L101-A133 HydrophobicContact CD2-CB 4.26Å
102Q98.8Very high98.3Very high53 Ų5329.3 Ų29.325%0.24815%0.145CC..Hα-helixtrans-70.7-45.7-179.4-59.2175.273.200110.8T26 F30 A98 F99 A100 T105 L106T26-Q102 HydrophobicContact CG2-CB 3.67Å; F30-Q102 HydrophobicContact CE2-CB 4.14Å; F30-Q102 VanDerWaalsContact CE2-O 3.29Å; F30-Q102 WeakPolarHBondContact CE2-O 3.23Å; F30-Q102 HydrophobicContact CZ-CB 4.28Å; A98-Q102 PolarHBondContact O-NE2 3.31Å; A98-Q102 VanDerWaalsContact O-NE2 3.1Å; F99-Q102 PolarHBondContact O-N 2.99Å; A100-Q102 PolarHBondContact O-N 3.33Å; Q102-T105 PolarHBondContact O-N 3.32Å; Q102-L106 PolarHBondContact O-N 2.64Å
103W98.9Very high97.9Very high39 Ų3930.2 Ų30.215%0.14815%0.153CC..Hα-helixtrans-66.6-40.5-177.6-172.5-134.2000112L29 F99 A100 L106 I107 L157 V160 V161L29-W103 HydrophobicContact CD1-CZ3 3.88Å; F99-W103 HydrophobicContact CE1-CB 4.42Å; F99-W103 HydrophobicContact CE1-CG 4.48Å; F99-W103 HydrophobicContact CE2-CB 4.1Å; F99-W103 HydrophobicContact CE2-CG 4.44Å; F99-W103 HydrophobicContact CZ-CB 4Å; F99-W103 AromaticContact CZ-CG 3.97Å; F99-W103 HydrophobicContact CZ-CG 3.97Å; F99-W103 WeakPolarHBondContact O-CB 3.48Å; F99-W103 PolarHBondContact O-N 2.71Å; A100-W103 PolarHBondContact O-N 2.92Å; W103-L106 HydrophobicContact CE3-CB 4.45Å; W103-L106 HydrophobicContact CE3-CD1 3.89Å; W103-L106 HydrophobicContact CZ3-CD1 4.02Å; W103-L106 WeakPolarHBondContact O-CB 3.45Å; W103-L106 PolarHBondContact O-N 2.8Å; W103-I107 HydrophobicContact CD2-CD1 4.46Å; W103-I107 HydrophobicContact CD2-CG1 4.17Å; W103-I107 HydrophobicContact CH2-CD1 3.87Å; W103-I107 HydrophobicContact CZ2-CD1 3.64Å; W103-I107 HydrophobicContact CZ2-CG1 4.09Å; W103-I107 HydrophobicContact CZ3-CD1 4.4Å; W103-I107 WeakPolarHBondContact O-CG1 3.37Å; W103-I107 PolarHBondContact O-N 2.92Å; W103-L157 HydrophobicContact CD2-CD1 4.41Å; W103-L157 HydrophobicContact CZ2-CD1 3.95Å; W103-L157 PolarHBondContact NE1-O 2.96Å; W103-V160 HydrophobicContact CB-CG1 4.3Å; W103-V160 VanDerWaalsContact CD1-CB 3.48Å; W103-V160 VanDerWaalsContact CD1-CG1 3.42Å; W103-V160 HydrophobicContact CG-CB 4.44Å; W103-V160 HydrophobicContact CG-CG1 3.99Å; W103-V161 HydrophobicContact CZ2-CG2 3.84Å
104S98.8Very high97.6Very high0 Ų034.4 Ų34.40%017%0.171CC..Hα-helixtrans-65.3-40.6176.6-165.30000111.9A100 L106 I107 Q108 C132A100-S104 WeakPolarHBondContact O-CA 3.37Å; A100-S104 WeakPolarHBondContact O-CB 3.22Å; A100-S104 PolarHBondContact O-N 2.92Å; S104-L106 PolarHBondContact O-N 3.34Å; S104-I107 PolarHBondContact O-N 2.98Å; S104-I107 VanDerWaalsContact O-N 3.17Å; S104-Q108 WeakPolarHBondContact O-CB 3.39Å; S104-Q108 PolarHBondContact O-N 2.92Å; S104-Q108 PolarHBondContact OG-OE1 3.04Å; S104-C132 WeakPolarHBondContact OG-CB 3.3Å; S104-C132 PolarHBondContact OG-SG 2.89Å; S104-C132 VanDerWaalsContact OG-SG 3.41Å
105T98.8Very high97.3Very high22 Ų2232.8 Ų32.814%0.13517%0.165CC..Hα-helixtrans-54.3-37.9174.4-61.70000111.7F30 L101 Q102 G109 V121F30-T105 HydrophobicContact CE1-CG2 4.19Å; F30-T105 HydrophobicContact CZ-CG2 3.86Å; L101-T105 WeakPolarHBondContact O-CB 3.41Å; L101-T105 PolarHBondContact O-N 3.43Å; L101-T105 VanDerWaalsContact O-N 3.16Å; L101-T105 PolarHBondContact O-OG1 3.42Å; Q102-T105 PolarHBondContact O-N 3.32Å; T105-G109 VanDerWaalsContact O-CA 3.3Å; T105-G109 WeakPolarHBondContact O-CA 3.42Å; T105-G109 PolarHBondContact O-N 2.86Å; T105-G109 VanDerWaalsContact O-N 3.08Å; T105-V121 HydrophobicContact CG2-CG1 3.62Å
106L98.8Very high96.9Very high0 Ų035.9 Ų35.90%019%0.191CC..Hα-helixtrans-72.1-53.7174.3-70.1167.2000111.7T26 L29 F30 V34 Q102 W103 S104 G109 F110 I119T26-L106 HydrophobicContact CG2-CD1 4.04Å; L29-L106 HydrophobicContact CB-CD1 3.71Å; L29-L106 HydrophobicContact CB-CD2 4.01Å; L29-L106 HydrophobicContact CD1-CD1 3.98Å; F30-L106 HydrophobicContact CD2-CD1 3.79Å; F30-L106 HydrophobicContact CD2-CD2 3.85Å; F30-L106 HydrophobicContact CD2-CG 3.8Å; F30-L106 HydrophobicContact CE2-CD1 3.76Å; F30-L106 HydrophobicContact CE2-CD2 4.03Å; F30-L106 HydrophobicContact CE2-CG 3.56Å; F30-L106 HydrophobicContact CZ-CG 4.49Å; V34-L106 HydrophobicContact CG2-CD2 3.7Å; Q102-L106 PolarHBondContact O-N 2.64Å; W103-L106 HydrophobicContact CE3-CB 4.45Å; W103-L106 HydrophobicContact CE3-CD1 3.89Å; W103-L106 HydrophobicContact CZ3-CD1 4.02Å; W103-L106 WeakPolarHBondContact O-CB 3.45Å; W103-L106 PolarHBondContact O-N 2.8Å; S104-L106 PolarHBondContact O-N 3.34Å; L106-G109 CarbonylContact O-C 3.47Å; L106-G109 PolarHBondContact O-N 3.43Å; L106-F110 HydrophobicContact CB-CD2 4.49Å; L106-F110 HydrophobicContact CB-CE2 4.28Å; L106-F110 HydrophobicContact CD2-CE2 4.44Å; L106-F110 WeakPolarHBondContact O-CD2 3.48Å; L106-F110 WeakPolarHBondContact O-CG 3.34Å; L106-F110 PolarHBondContact O-N 2.88Å; L106-I119 HydrophobicContact CD2-CD1 4.14Å
107I98.7Very high96.7Very high22 Ų2237.6 Ų37.611%0.11321%0.209CC..Hα-helixtrans-63.3-54.2-174.8-62.5-49.7000111.6W103 S104 G109 F110 L111 V160 V161W103-I107 HydrophobicContact CD2-CD1 4.46Å; W103-I107 HydrophobicContact CD2-CG1 4.17Å; W103-I107 HydrophobicContact CH2-CD1 3.87Å; W103-I107 HydrophobicContact CZ2-CD1 3.64Å; W103-I107 HydrophobicContact CZ2-CG1 4.09Å; W103-I107 HydrophobicContact CZ3-CD1 4.4Å; W103-I107 WeakPolarHBondContact O-CG1 3.37Å; W103-I107 PolarHBondContact O-N 2.92Å; S104-I107 PolarHBondContact O-N 2.98Å; S104-I107 VanDerWaalsContact O-N 3.17Å; I107-G109 PolarHBondContact O-N 3.11Å; I107-F110 PolarHBondContact O-N 2.92Å; I107-L111 HydrophobicContact CG2-CD1 4.24Å; I107-L111 WeakPolarHBondContact O-CG 3.48Å; I107-L111 PolarHBondContact O-N 3.47Å; I107-V160 HydrophobicContact CB-CG1 4.4Å; I107-V160 HydrophobicContact CG1-CG1 4.17Å; I107-V161 HydrophobicContact CD1-CG2 3.92Å; I107-V161 HydrophobicContact CG1-CG2 4Å
108Q98.4Very high96.7Very high11 Ų1140.3 Ų40.35%0.05122%0.221CC..Hα-helixtrans-62.6-37.5175.5-68.5173.2-48.700110.3S104 F110 L111 H112 N128 E167S104-Q108 WeakPolarHBondContact O-CB 3.39Å; S104-Q108 PolarHBondContact O-N 2.92Å; S104-Q108 PolarHBondContact OG-OE1 3.04Å; Q108-F110 PolarHBondContact O-N 2.94Å; Q108-L111 PolarHBondContact O-N 3.49Å; Q108-H112 WeakPolarHBondContact O-CB 3.36Å; Q108-H112 PolarHBondContact O-CD2 2.86Å; Q108-H112 PolarHBondContact O-N 2.87Å; Q108-N128 PolarHBondContact NE2-O 3.04Å; Q108-N128 VanDerWaalsContact OE1-C 3.31Å; Q108-N128 PolarHBondContact OE1-O 3.39Å; Q108-E167 PolarHBondContact NE2-OE1 3.27Å; Q108-E167 PolarHBondContact NE2-OE2 2.81Å
109G97.9Very high96.6Very high4 Ų438.6 Ų38.64%0.04121%0.207CC..Iπ-helixtrans-58.2-45.3174.900000113.5T105 L106 I107 L111 S113 F114 I119T105-G109 VanDerWaalsContact O-CA 3.3Å; T105-G109 WeakPolarHBondContact O-CA 3.42Å; T105-G109 PolarHBondContact O-N 2.86Å; T105-G109 VanDerWaalsContact O-N 3.08Å; L106-G109 CarbonylContact O-C 3.47Å; L106-G109 PolarHBondContact O-N 3.43Å; I107-G109 PolarHBondContact O-N 3.11Å; G109-L111 VanDerWaalsContact C-N 3.28Å; G109-L111 PolarHBondContact O-N 2.86Å; G109-S113 WeakPolarHBondContact CA-OG 3.24Å; G109-S113 CarbonylContact O-C 3.58Å; G109-S113 PolarHBondContact O-N 3.35Å; G109-S113 PolarHBondContact O-OG 3.25Å; G109-F114 PolarHBondContact O-N 3.33Å; G109-I119 VanDerWaalsContact CA-CG2 3.5Å
110F98.3Very high96.5Very high72 Ų7240 Ų4032%0.31621%0.214SC..Iπ-helixtrans-62.3-34.3176.2-78.7-58.4000113F33 L106 I107 Q108 F114 I119F33-F110 HydrophobicContact CB-CE1 4.34Å; F33-F110 HydrophobicContact CB-CZ 4.15Å; F33-F110 AromaticContact CD1-CE1 3.96Å; F33-F110 HydrophobicContact CD1-CE1 3.96Å; F33-F110 HydrophobicContact CD1-CZ 4.19Å; F33-F110 HydrophobicContact CD2-CE1 4.23Å; F33-F110 AromaticContact CD2-CZ 3.61Å; F33-F110 HydrophobicContact CD2-CZ 3.61Å; F33-F110 HydrophobicContact CE1-CE1 4.29Å; F33-F110 AromaticContact CE2-CZ 3.98Å; F33-F110 HydrophobicContact CE2-CZ 3.98Å; F33-F110 AromaticContact CG-CE1 3.91Å; F33-F110 HydrophobicContact CG-CE1 3.91Å; F33-F110 AromaticContact CG-CZ 3.71Å; F33-F110 HydrophobicContact CG-CZ 3.71Å; F33-F110 HydrophobicContact CZ-CZ 4.41Å; L106-F110 HydrophobicContact CB-CD2 4.49Å; L106-F110 HydrophobicContact CB-CE2 4.28Å; L106-F110 HydrophobicContact CD2-CE2 4.44Å; L106-F110 WeakPolarHBondContact O-CD2 3.48Å; L106-F110 WeakPolarHBondContact O-CG 3.34Å; L106-F110 PolarHBondContact O-N 2.88Å; I107-F110 PolarHBondContact O-N 2.92Å; Q108-F110 PolarHBondContact O-N 2.94Å; F110-F114 AromaticContact CD1-CD2 3.81Å; F110-F114 HydrophobicContact CD1-CD2 3.81Å; F110-F114 HydrophobicContact CD1-CE2 4.09Å; F110-F114 HydrophobicContact CD1-CG 4.13Å; F110-F114 HydrophobicContact CE1-CD2 4.03Å; F110-F114 AromaticContact CE1-CE2 3.87Å; F110-F114 HydrophobicContact CE1-CE2 3.87Å; F110-F114 HydrophobicContact CE1-CZ 4.43Å; F110-F114 WeakPolarHBondContact O-CB 3.38Å; F110-I119 HydrophobicContact CD1-CD1 4.02Å; F110-I119 HydrophobicContact CD1-CG1 4.41Å; F110-I119 HydrophobicContact CD2-CD1 4.09Å; F110-I119 HydrophobicContact CE1-CD1 4.04Å; F110-I119 HydrophobicContact CE2-CD1 4.1Å; F110-I119 HydrophobicContact CG-CD1 4.03Å; F110-I119 HydrophobicContact CZ-CD1 4.08Å
111L96.9Very high96.4Very high56 Ų5641.2 Ų41.229%0.29322%0.221SC..Iπ-helixtrans-85-36.1-176.8-66.1170.4000112.9I107 Q108 G109 G164 I165 F168I107-L111 HydrophobicContact CG2-CD1 4.24Å; I107-L111 WeakPolarHBondContact O-CG 3.48Å; I107-L111 PolarHBondContact O-N 3.47Å; Q108-L111 PolarHBondContact O-N 3.49Å; G109-L111 VanDerWaalsContact C-N 3.28Å; G109-L111 PolarHBondContact O-N 2.86Å; L111-G164 VanDerWaalsContact CD1-O 3.26Å; L111-G164 WeakPolarHBondContact CD1-O 3.26Å; L111-I165 HydrophobicContact CD1-CG1 4.39Å; L111-F168 HydrophobicContact CB-CB 4.21Å; L111-F168 HydrophobicContact CB-CD2 3.86Å; L111-F168 HydrophobicContact CB-CG 4.1Å; L111-F168 HydrophobicContact CD1-CB 4.08Å; L111-F168 HydrophobicContact CD2-CD1 4.46Å; L111-F168 HydrophobicContact CD2-CG 4.35Å; L111-F168 WeakPolarHBondContact O-CD2 3.26Å; L111-F168 WeakPolarHBondContact O-CE2 3.42Å
112H91.5Very high96.2Very high62 Ų6240.3 Ų40.329%0.28722%0.219SC..Iπ-helixtrans-112.5-33.3-168.1-62.4-77.1000114.6Q108 E167 F168 H172Q108-H112 WeakPolarHBondContact O-CB 3.36Å; Q108-H112 PolarHBondContact O-CD2 2.86Å; Q108-H112 PolarHBondContact O-N 2.87Å; H112-E167 IonicContact NE2-OE2 3.7Å; H112-F168 AromaticContact CE1-CD2 3.58Å; H112-F168 AromaticContact ND1-CD2 3.79Å; H112-H172 AromaticContact CE1-CE1 3.17Å; H112-H172 PolarHBondContact CE1-CE1 3.19Å; H112-H172 AromaticContact CE1-CG 3.87Å; H112-H172 AromaticContact CE1-ND1 3.2Å; H112-H172 PolarHBondContact CE1-ND1 3.37Å; H112-H172 AromaticContact CE1-NE2 3.74Å; H112-H172 AromaticContact ND1-CD2 3.56Å; H112-H172 AromaticContact ND1-CE1 2.89Å; H112-H172 PolarHBondContact ND1-CE1 3.29Å; H112-H172 AromaticContact ND1-CG 3.72Å; H112-H172 AromaticContact ND1-ND1 3.31Å; H112-H172 PolarHBondContact ND1-ND1 3.4Å; H112-H172 AromaticContact ND1-NE2 3Å; H112-H172 PolarHBondContact ND1-NE2 3.22Å
113S90.3Very high96.1Very high29 Ų2938.5 Ų38.520%0.20321%0.212CC..Iπ-helixtrans-128.414.1-169.267.90000114.1G109 H115G109-S113 WeakPolarHBondContact CA-OG 3.24Å; G109-S113 CarbonylContact O-C 3.58Å; G109-S113 PolarHBondContact O-N 3.35Å; G109-S113 PolarHBondContact O-OG 3.25Å; S113-H115 PolarHBondContact O-CE1 3.34Å; S113-H115 PolarHBondContact O-N 3.05Å; S113-H115 PolarHBondContact O-ND1 3.46Å
114F93.9Very high96Very high89 Ų8940 Ų4039%0.3922%0.22SC..EExtended strand (participates in β ladder)trans-81.5105.8177.6-167-109.3000111.7F33 G109 F110 G117 H118 I119F33-F114 AromaticContact CD1-CE2 3.88Å; F33-F114 HydrophobicContact CD1-CE2 3.88Å; F33-F114 HydrophobicContact CD1-CZ 4.32Å; F33-F114 HydrophobicContact CE1-CE2 4.48Å; F33-F114 HydrophobicContact CE1-CZ 4.5Å; G109-F114 PolarHBondContact O-N 3.33Å; F110-F114 AromaticContact CD1-CD2 3.81Å; F110-F114 HydrophobicContact CD1-CD2 3.81Å; F110-F114 HydrophobicContact CD1-CE2 4.09Å; F110-F114 HydrophobicContact CD1-CG 4.13Å; F110-F114 HydrophobicContact CE1-CD2 4.03Å; F110-F114 AromaticContact CE1-CE2 3.87Å; F110-F114 HydrophobicContact CE1-CE2 3.87Å; F110-F114 HydrophobicContact CE1-CZ 4.43Å; F110-F114 WeakPolarHBondContact O-CB 3.38Å; F114-G117 WeakPolarHBondContact CE2-O 3.34Å; F114-H118 WeakPolarHBondContact CA-O 3.29Å; F114-I119 HydrophobicContact CD2-CG1 3.76Å
115H91.1Very high95.9Very high99 Ų9941.4 Ų41.446%0.45823%0.23SC..EExtended strand (participates in β ladder)trans-144.4147177.255.1-81.2000110.2S113 G117 H118 H120S113-H115 PolarHBondContact O-CE1 3.34Å; S113-H115 PolarHBondContact O-N 3.05Å; S113-H115 PolarHBondContact O-ND1 3.46Å; H115-G117 PolarHBondContact O-N 2.92Å; H115-G117 VanDerWaalsContact O-N 3.14Å; H115-H118 PolarHBondContact N-O 3.4Å; H115-H118 PolarHBondContact O-N 3.35Å; H115-H120 AromaticContact CD2-CE1 3.77Å; H115-H120 AromaticContact CD2-ND1 3.77Å; H115-H120 AromaticContact CE1-CE1 3.86Å; H115-H120 AromaticContact CE1-CG 3.74Å; H115-H120 AromaticContact CE1-ND1 3.12Å; H115-H120 PolarHBondContact CE1-ND1 3Å; H115-H120 AromaticContact ND1-ND1 3.74Å; H115-H120 AromaticContact NE2-CE1 3.4Å; H115-H120 PolarHBondContact NE2-CE1 2.9Å; H115-H120 AromaticContact NE2-CG 3.76Å; H115-H120 AromaticContact NE2-ND1 3.11Å; H115-H120 PolarHBondContact NE2-ND1 2.78Å; H115-H120 VanDerWaalsContact NE2-ND1 3.11Å
116S91.6Very high95.9Very high114 Ų11444 Ų4480%0.79724%0.242SC*.THydrogen-bonded Turntrans53.933-177.5-54.40000113.7H118S116-H118 VanDerWaalsContact C-N 3.32Å; S116-H118 PolarHBondContact O-N 3.48Å
117G94.4Very high95.9Very high37 Ų3744 Ų4438%0.38124%0.242SC..THydrogen-bonded Turntrans80.14.3179.500000115.5F114 H115F114-G117 WeakPolarHBondContact CE2-O 3.34Å; H115-G117 PolarHBondContact O-N 2.92Å; H115-G117 VanDerWaalsContact O-N 3.14Å
118H97.6Very high95.9Very high56 Ų5644.7 Ų44.726%0.25925%0.246SC..EExtended strand (participates in β ladder)trans-134.6150.3-176-65.7-55.4000113.5F33 R35 F114 H115 S116 H120F33-H118 CarbonylContact O-C 3.58Å; F33-H118 VanDerWaalsContact O-CA 3.25Å; F33-H118 WeakPolarHBondContact O-CA 3.3Å; F33-H118 PolarHBondContact O-ND1 2.96Å; R35-H118 HydrophobicContact CB-CB 4.47Å; R35-H118 HydrophobicContact CG-CB 3.84Å; R35-H118 PolarHBondContact NH2-CE1 3.06Å; F114-H118 WeakPolarHBondContact CA-O 3.29Å; H115-H118 PolarHBondContact N-O 3.4Å; H115-H118 PolarHBondContact O-N 3.35Å; S116-H118 VanDerWaalsContact C-N 3.32Å; S116-H118 PolarHBondContact O-N 3.48Å; H118-H120 PolarHBondContact O-ND1 3.39Å
119I97.9Very high95.9Very high1 Ų144.3 Ų44.31%0.00524%0.244CC..EExtended strand (participates in β ladder)trans-91.7121.4168.8-59.4174000107.3F33 V34 R35 L106 G109 F110 F114 V121F33-I119 HydrophobicContact CB-CD1 4.25Å; F33-I119 HydrophobicContact CB-CG1 4.44Å; F33-I119 PolarHBondContact O-N 3.37Å; V34-I119 CarbonylContact C-O 3.55Å; V34-I119 WeakPolarHBondContact CA-O 3.22Å; V34-I119 HydrophobicContact CG2-CB 4.28Å; V34-I119 HydrophobicContact CG2-CD1 4.37Å; R35-I119 PolarHBondContact N-O 3.39Å; L106-I119 HydrophobicContact CD2-CD1 4.14Å; G109-I119 VanDerWaalsContact CA-CG2 3.5Å; F110-I119 HydrophobicContact CD1-CD1 4.02Å; F110-I119 HydrophobicContact CD1-CG1 4.41Å; F110-I119 HydrophobicContact CD2-CD1 4.09Å; F110-I119 HydrophobicContact CE1-CD1 4.04Å; F110-I119 HydrophobicContact CE2-CD1 4.1Å; F110-I119 HydrophobicContact CG-CD1 4.03Å; F110-I119 HydrophobicContact CZ-CD1 4.08Å; F114-I119 HydrophobicContact CD2-CG1 3.76Å; I119-V121 HydrophobicContact CG2-CG1 4.15Å
120H95.8Very high95.9Very high44 Ų4444.2 Ų44.220%0.20424%0.243CC..EExtended strand (participates in β ladder)trans-101.4115.1-179.5-65.781.9000110.7R35 N37 H115 H118R35-H120 CarbonylContact O-C 3.54Å; R35-H120 WeakPolarHBondContact O-CA 3.25Å; N37-H120 HydrophobicContact CB-CB 3.89Å; H115-H120 AromaticContact CD2-CE1 3.77Å; H115-H120 AromaticContact CD2-ND1 3.77Å; H115-H120 AromaticContact CE1-CE1 3.86Å; H115-H120 AromaticContact CE1-CG 3.74Å; H115-H120 AromaticContact CE1-ND1 3.12Å; H115-H120 PolarHBondContact CE1-ND1 3Å; H115-H120 AromaticContact ND1-ND1 3.74Å; H115-H120 AromaticContact NE2-CE1 3.4Å; H115-H120 PolarHBondContact NE2-CE1 2.9Å; H115-H120 AromaticContact NE2-CG 3.76Å; H115-H120 AromaticContact NE2-ND1 3.11Å; H115-H120 PolarHBondContact NE2-ND1 2.78Å; H115-H120 VanDerWaalsContact NE2-ND1 3.11Å; H118-H120 PolarHBondContact O-ND1 3.39Å
121V96.6Very high96Very high24 Ų2441.1 Ų41.115%0.14523%0.229CC..EExtended strand (participates in β ladder)trans-99.5148.2-174.5-63.10000112.9V34 R35 Y36 N37 T105 I119 S125V34-V121 HydrophobicContact CG1-CB 4.42Å; V34-V121 HydrophobicContact CG1-CG1 3.66Å; V34-V121 HydrophobicContact CG1-CG2 3.85Å; R35-V121 WeakPolarHBondContact O-CG2 3.14Å; R35-V121 PolarHBondContact O-N 2.89Å; Y36-V121 HydrophobicContact CD1-CG2 4.28Å; N37-V121 PolarHBondContact N-O 3.46Å; N37-V121 VanDerWaalsContact N-O 3.09Å; T105-V121 HydrophobicContact CG2-CG1 3.62Å; I119-V121 HydrophobicContact CG2-CG1 4.15Å; V121-S125 WeakPolarHBondContact CA-OG 3.49Å
122G95.6Very high96.1Very high12 Ų1238.4 Ų38.412%0.12422%0.215CC..  trans-157.5-164.1172.200000111.1E124 S125 M126G122-E124 VanDerWaalsContact C-N 3.32Å; G122-E124 PolarHBondContact O-N 3.38Å; G122-S125 PolarHBondContact N-OG 3.19Å; G122-S125 VanDerWaalsContact O-CB 3.3Å; G122-S125 WeakPolarHBondContact O-CB 3.32Å; G122-S125 PolarHBondContact O-N 2.85Å; G122-M126 PolarHBondContact O-N 3.47Å
123V96.7Very high96.4Very high15 Ų1535.5 Ų35.59%0.09120%0.201CC..Hα-helixtrans-61.5-35.6-176.667.20000113.4E56 R60 Y61 F64 S125 M126 I127E56-V123 HydrophobicContact CG-CG1 4.2Å; R60-V123 HydrophobicContact CB-CG1 3.81Å; R60-V123 HydrophobicContact CB-CG2 4.14Å; Y61-V123 HydrophobicContact CD2-CG2 4.42Å; F64-V123 HydrophobicContact CB-CG2 4.24Å; V123-S125 VanDerWaalsContact C-N 3.3Å; V123-S125 PolarHBondContact O-N 2.96Å; V123-M126 WeakPolarHBondContact O-CB 3.23Å; V123-M126 PolarHBondContact O-N 3.36Å; V123-M126 VanDerWaalsContact O-N 3.16Å; V123-I127 WeakPolarHBondContact O-CG1 3.29Å; V123-I127 PolarHBondContact O-N 2.85Å; V123-I127 VanDerWaalsContact O-N 3.11Å
124E96.2Very high96.8Very high71 Ų7134.1 Ų34.133%0.33219%0.192SC..Hα-helixtrans-64.4-35.2174.8-69-170.1158.700112.2R60 G122 M126 I127 N128 L240R60-E124 IonicContact CZ-OE1 3.58Å; R60-E124 IonicContact NE-OE1 2.72Å; R60-E124 PolarHBondContact NE-OE1 3.46Å; R60-E124 IonicContact NH2-OE1 3.55Å; R60-E124 PolarHBondContact NH2-OE1 2.88Å; G122-E124 VanDerWaalsContact C-N 3.32Å; G122-E124 PolarHBondContact O-N 3.38Å; E124-M126 VanDerWaalsContact C-N 3.25Å; E124-M126 PolarHBondContact O-N 2.6Å; E124-I127 PolarHBondContact O-N 3.44Å; E124-N128 WeakPolarHBondContact O-CB 3.36Å; E124-N128 PolarHBondContact O-N 2.82Å; E124-N128 PolarHBondContact O-ND2 3.02Å; E124-L240 HydrophobicContact CB-CD2 4.35Å; E124-L240 HydrophobicContact CG-CD2 4.25Å
125S97.5Very high97.1Very high29 Ų2929.9 Ų29.920%0.20317%0.174CC..Hα-helixtrans-63-36175.2-46.30000111.2V121 G122 V123 A129V121-S125 WeakPolarHBondContact CA-OG 3.49Å; G122-S125 PolarHBondContact N-OG 3.19Å; G122-S125 VanDerWaalsContact O-CB 3.3Å; G122-S125 WeakPolarHBondContact O-CB 3.32Å; G122-S125 PolarHBondContact O-N 2.85Å; V123-S125 VanDerWaalsContact C-N 3.3Å; V123-S125 PolarHBondContact O-N 2.96Å; S125-A129 VanDerWaalsContact O-CB 3.31Å; S125-A129 WeakPolarHBondContact O-CB 3.33Å; S125-A129 PolarHBondContact O-N 3.06Å; S125-A129 VanDerWaalsContact O-N 3.08Å
126M98Very high97.4Very high77 Ų7725.2 Ų25.238%0.37915%0.152SC..Hα-helixtrans-66-49.3175.5-60.7168.655.400110.7F64 G122 V123 E124 N128 A129 D130F64-M126 HydrophobicContact CD1-CE 3.85Å; F64-M126 HydrophobicContact CD2-CB 3.74Å; F64-M126 HydrophobicContact CD2-CE 3.93Å; F64-M126 HydrophobicContact CE1-CE 3.4Å; F64-M126 VanDerWaalsContact CE1-CE 3.4Å; F64-M126 HydrophobicContact CE2-CB 3.83Å; F64-M126 HydrophobicContact CE2-CE 3.5Å; F64-M126 VanDerWaalsContact CE2-CE 3.5Å; F64-M126 HydrophobicContact CG-CE 4.1Å; F64-M126 HydrophobicContact CZ-CE 3.22Å; G122-M126 PolarHBondContact O-N 3.47Å; V123-M126 WeakPolarHBondContact O-CB 3.23Å; V123-M126 PolarHBondContact O-N 3.36Å; V123-M126 VanDerWaalsContact O-N 3.16Å; E124-M126 VanDerWaalsContact C-N 3.25Å; E124-M126 PolarHBondContact O-N 2.6Å; M126-N128 PolarHBondContact O-N 3.29Å; M126-A129 PolarHBondContact O-N 3.25Å; M126-D130 PolarHBondContact O-N 2.53Å
127I98.6Very high97.8Very high0 Ų019.9 Ų19.90%011%0.114CC..Hα-helixtrans-58.4-47.3178.7-63166.9000111.6R60 F64 V123 E124 A129 D130 F131 A239 L240R60-I127 HydrophobicContact CB-CD1 4.08Å; F64-I127 HydrophobicContact CB-CD1 4.2Å; F64-I127 HydrophobicContact CB-CG1 3.68Å; F64-I127 HydrophobicContact CD2-CG1 4.44Å; V123-I127 WeakPolarHBondContact O-CG1 3.29Å; V123-I127 PolarHBondContact O-N 2.85Å; V123-I127 VanDerWaalsContact O-N 3.11Å; E124-I127 PolarHBondContact O-N 3.44Å; I127-A129 VanDerWaalsContact C-N 3.32Å; I127-A129 PolarHBondContact O-N 3.36Å; I127-D130 PolarHBondContact O-N 3.15Å; I127-F131 HydrophobicContact CG2-CD2 4.28Å; I127-F131 HydrophobicContact CG2-CE1 4.38Å; I127-F131 HydrophobicContact CG2-CE2 3.84Å; I127-F131 HydrophobicContact CG2-CZ 3.89Å; I127-F131 PolarHBondContact O-N 3.15Å; I127-A239 HydrophobicContact CD1-CB 4.41Å; I127-A239 HydrophobicContact CG2-CB 3.76Å; I127-L240 HydrophobicContact CB-CD2 4.15Å; I127-L240 HydrophobicContact CD1-CD2 4.33Å; I127-L240 HydrophobicContact CG2-CD1 4.23Å; I127-L240 HydrophobicContact CG2-CD2 3.87Å; I127-L240 HydrophobicContact CG2-CG 3.81Å
128N98.5Very high98Very high37 Ų3718.1 Ų18.120%0.19810%0.096CC..Hα-helixtrans-62.7-38.7178.7-80-69.1000112.4Q108 E124 M126 D130 F131 C132 L240Q108-N128 PolarHBondContact NE2-O 3.04Å; Q108-N128 VanDerWaalsContact OE1-C 3.31Å; Q108-N128 PolarHBondContact OE1-O 3.39Å; E124-N128 WeakPolarHBondContact O-CB 3.36Å; E124-N128 PolarHBondContact O-N 2.82Å; E124-N128 PolarHBondContact O-ND2 3.02Å; M126-N128 PolarHBondContact O-N 3.29Å; N128-D130 VanDerWaalsContact C-N 3.35Å; N128-F131 PolarHBondContact O-N 3.47Å; N128-C132 PolarHBondContact O-N 2.86Å; N128-L240 WeakPolarHBondContact OD1-CD1 3.48Å
129A98.8Very high98.1Very high2 Ų215.5 Ų15.52%0.0178%0.084CC..Hα-helixtrans-65.5-38.9176.500000111.8L101 S125 M126 I127 C132 A133L101-A129 HydrophobicContact CD2-CB 4.07Å; S125-A129 VanDerWaalsContact O-CB 3.31Å; S125-A129 WeakPolarHBondContact O-CB 3.33Å; S125-A129 PolarHBondContact O-N 3.06Å; S125-A129 VanDerWaalsContact O-N 3.08Å; M126-A129 PolarHBondContact O-N 3.25Å; I127-A129 VanDerWaalsContact C-N 3.32Å; I127-A129 PolarHBondContact O-N 3.36Å; A129-C132 PolarHBondContact O-N 3.41Å; A129-A133 PolarHBondContact O-N 3.39Å
130D98.9Very high98.1Very high3 Ų315.5 Ų15.52%0.0168%0.084CC..Hα-helixtrans-66.8-36.7173.9-81.3-98.2000112.6F64 V67 H68 V71 L101 M126 I127 N128 A133 G134F64-D130 WeakPolarHBondContact CE2-OD2 3.24Å; V67-D130 HydrophobicContact CG1-CB 3.68Å; H68-D130 WeakPolarHBondContact CA-OD1 3.27Å; H68-D130 IonicContact CE1-OD1 3.68Å; H68-D130 IonicContact CG-OD1 3.76Å; H68-D130 IonicContact ND1-OD1 2.78Å; H68-D130 PolarHBondContact ND1-OD1 3.48Å; H68-D130 IonicContact ND1-OD2 2.78Å; H68-D130 PolarHBondContact ND1-OD2 3.08Å; V71-D130 HydrophobicContact CG2-CB 4.1Å; L101-D130 HydrophobicContact CD2-CB 4.17Å; L101-D130 VanDerWaalsContact CD2-CG 3.47Å; L101-D130 VanDerWaalsContact CD2-OD2 3.25Å; L101-D130 WeakPolarHBondContact CD2-OD2 3.22Å; M126-D130 PolarHBondContact O-N 2.53Å; I127-D130 PolarHBondContact O-N 3.15Å; N128-D130 VanDerWaalsContact C-N 3.35Å; D130-A133 PolarHBondContact O-N 2.94Å; D130-G134 PolarHBondContact O-N 3.32Å
131F98.9Very high98.2Very high6 Ų613.5 Ų13.53%0.0268%0.075CC..Hα-helixtrans-61.6-43.7172.1-74.1-19.6000112.8V67 I127 N128 G134 A135 I185 F236 A239 L240V67-F131 HydrophobicContact CG1-CD1 3.91Å; V67-F131 HydrophobicContact CG1-CE1 3.87Å; V67-F131 HydrophobicContact CG2-CE1 3.95Å; I127-F131 HydrophobicContact CG2-CD2 4.28Å; I127-F131 HydrophobicContact CG2-CE1 4.38Å; I127-F131 HydrophobicContact CG2-CE2 3.84Å; I127-F131 HydrophobicContact CG2-CZ 3.89Å; I127-F131 PolarHBondContact O-N 3.15Å; N128-F131 PolarHBondContact O-N 3.47Å; F131-G134 PolarHBondContact O-N 2.9Å; F131-A135 PolarHBondContact O-N 3.42Å; F131-A135 VanDerWaalsContact O-N 3.13Å; F131-I185 HydrophobicContact CB-CD1 3.66Å; F131-I185 HydrophobicContact CB-CG1 4.39Å; F131-I185 HydrophobicContact CD1-CD1 3.97Å; F131-I185 HydrophobicContact CD2-CD1 4.3Å; F131-I185 HydrophobicContact CG-CD1 3.75Å; F131-F236 AromaticContact CD1-CD2 3.97Å; F131-F236 HydrophobicContact CD1-CD2 3.97Å; F131-F236 HydrophobicContact CD1-CE1 4.24Å; F131-F236 AromaticContact CD1-CE2 3.43Å; F131-F236 HydrophobicContact CD1-CE2 3.43Å; F131-F236 VanDerWaalsContact CD1-CE2 3.43Å; F131-F236 AromaticContact CD1-CZ 3.59Å; F131-F236 HydrophobicContact CD1-CZ 3.59Å; F131-F236 HydrophobicContact CE1-CD1 4.07Å; F131-F236 AromaticContact CE1-CD2 3.59Å; F131-F236 HydrophobicContact CE1-CD2 3.59Å; F131-F236 HydrophobicContact CE1-CE1 4.03Å; F131-F236 AromaticContact CE1-CE2 3.54Å; F131-F236 HydrophobicContact CE1-CE2 3.54Å; F131-F236 AromaticContact CE1-CG 3.85Å; F131-F236 HydrophobicContact CE1-CG 3.85Å; F131-F236 AromaticContact CE1-CZ 3.77Å; F131-F236 HydrophobicContact CE1-CZ 3.77Å; F131-F236 WeakPolarHBondContact CZ-O 3.33Å; F131-A239 HydrophobicContact CZ-CB 4.03Å; F131-L240 HydrophobicContact CD2-CD1 3.85Å; F131-L240 HydrophobicContact CE2-CB 4.49Å; F131-L240 HydrophobicContact CE2-CD1 3.53Å; F131-L240 HydrophobicContact CE2-CG 3.82Å
132C98.9Very high98.3Very high0 Ų012.3 Ų12.30%07%0.068CC..Hα-helixtrans-62.3-44.5173.6-175.50000111.6S104 N128 A129 G134 A135 V136 F163S104-C132 WeakPolarHBondContact OG-CB 3.3Å; S104-C132 PolarHBondContact OG-SG 2.89Å; S104-C132 VanDerWaalsContact OG-SG 3.41Å; N128-C132 PolarHBondContact O-N 2.86Å; A129-C132 PolarHBondContact O-N 3.41Å; C132-G134 VanDerWaalsContact C-N 3.27Å; C132-G134 PolarHBondContact O-N 3.15Å; C132-A135 WeakPolarHBondContact O-CB 3.35Å; C132-A135 PolarHBondContact O-N 3.09Å; C132-A135 VanDerWaalsContact O-N 3.1Å; C132-V136 PolarHBondContact O-N 2.99Å; C132-V136 VanDerWaalsContact O-N 3.14Å; C132-F163 HydrophobicContact CB-CD1 3.63Å; C132-F163 HydrophobicContact CB-CE1 3.61Å; C132-F163 HydrophobicContact CB-CG 4.25Å; C132-F163 HydrophobicContact CB-CZ 4.16Å; C132-F163 WeakPolarHBondContact SG-CD1 3.46Å
133A98.9Very high98.5Very high0 Ų011.9 Ų11.90%06%0.063CC..Hα-helixtrans-58.4-40.6174.500000111.4V71 A100 L101 A129 D130 A135 V136 L137V71-A133 HydrophobicContact CG1-CB 4.2Å; A100-A133 HydrophobicContact CB-CB 3.96Å; L101-A133 HydrophobicContact CD2-CB 4.26Å; A129-A133 PolarHBondContact O-N 3.39Å; D130-A133 PolarHBondContact O-N 2.94Å; A133-A135 VanDerWaalsContact C-N 3.34Å; A133-A135 PolarHBondContact O-N 2.98Å; A133-V136 PolarHBondContact O-N 2.91Å; A133-L137 VanDerWaalsContact O-CG 3.31Å; A133-L137 WeakPolarHBondContact O-CG 3.24Å; A133-L137 PolarHBondContact O-N 2.97Å
134G98.8Very high98.6Very high0 Ų011.2 Ų11.20%06%0.059CC..Hα-helixtrans-54.8-45.6172.500000112.9D130 F131 C132 V136 L137 I138D130-G134 PolarHBondContact O-N 3.32Å; F131-G134 PolarHBondContact O-N 2.9Å; C132-G134 VanDerWaalsContact C-N 3.27Å; C132-G134 PolarHBondContact O-N 3.15Å; G134-V136 PolarHBondContact O-N 3.1Å; G134-L137 PolarHBondContact O-N 3Å; G134-I138 WeakPolarHBondContact O-CG1 3.49Å; G134-I138 PolarHBondContact O-N 3.45Å
135A98.9Very high98.6Very high1 Ų17.8 Ų7.81%0.0084%0.043CC..Hα-helixtrans-60.9-43.8176.300000112.4F131 C132 A133 L137 I138 S139 F163 I185 F188F131-A135 PolarHBondContact O-N 3.42Å; F131-A135 VanDerWaalsContact O-N 3.13Å; C132-A135 WeakPolarHBondContact O-CB 3.35Å; C132-A135 PolarHBondContact O-N 3.09Å; C132-A135 VanDerWaalsContact O-N 3.1Å; A133-A135 VanDerWaalsContact C-N 3.34Å; A133-A135 PolarHBondContact O-N 2.98Å; A135-L137 VanDerWaalsContact C-N 3.3Å; A135-L137 PolarHBondContact O-N 2.97Å; A135-I138 WeakPolarHBondContact O-CB 3.44Å; A135-I138 PolarHBondContact O-N 3.03Å; A135-S139 PolarHBondContact O-N 3.05Å; A135-F163 HydrophobicContact CB-CD2 3.57Å; A135-F163 HydrophobicContact CB-CE2 3.67Å; A135-I185 HydrophobicContact CB-CG2 4.12Å; A135-F188 HydrophobicContact CB-CD1 4.26Å
136V98.9Very high98.6Very high1 Ų16.9 Ų6.91%0.0064%0.035CC..Hα-helixtrans-61.5-38.3175.71760000111.7C132 A133 G134 S139 L140 M155 A156 E159 V160C132-V136 PolarHBondContact O-N 2.99Å; C132-V136 VanDerWaalsContact O-N 3.14Å; A133-V136 PolarHBondContact O-N 2.91Å; G134-V136 PolarHBondContact O-N 3.1Å; V136-S139 WeakPolarHBondContact O-CB 3.28Å; V136-S139 PolarHBondContact O-N 3.45Å; V136-L140 PolarHBondContact O-N 3.19Å; V136-M155 HydrophobicContact CG1-CE 3.99Å; V136-A156 HydrophobicContact CG1-CB 3.88Å; V136-E159 HydrophobicContact CG2-CB 4.33Å; V136-E159 HydrophobicContact CG2-CG 4.12Å; V136-V160 HydrophobicContact CG2-CG2 3.86Å
137L98.9Very high98.6Very high1 Ų13.3 Ų3.31%0.0052%0.018CC..Hα-helixtrans-72-30.1177.9-65.3178.1000112.7V71 F75 T93 L96 A133 G134 A135 L140 G141V71-L137 HydrophobicContact CG1-CD1 3.82Å; V71-L137 WeakPolarHBondContact O-CD1 3.1Å; F75-L137 HydrophobicContact CB-CB 4.21Å; F75-L137 HydrophobicContact CB-CD1 3.78Å; F75-L137 HydrophobicContact CD1-CB 3.95Å; F75-L137 HydrophobicContact CD2-CB 4.39Å; F75-L137 HydrophobicContact CD2-CD1 4.19Å; F75-L137 HydrophobicContact CE1-CB 4.43Å; F75-L137 HydrophobicContact CG-CB 3.93Å; F75-L137 HydrophobicContact CG-CD1 4.06Å; T93-L137 HydrophobicContact CG2-CD1 3.8Å; T93-L137 HydrophobicContact CG2-CD2 3.73Å; T93-L137 HydrophobicContact CG2-CG 4.42Å; L96-L137 HydrophobicContact CB-CD2 4.34Å; A133-L137 VanDerWaalsContact O-CG 3.31Å; A133-L137 WeakPolarHBondContact O-CG 3.24Å; A133-L137 PolarHBondContact O-N 2.97Å; G134-L137 PolarHBondContact O-N 3Å; A135-L137 VanDerWaalsContact C-N 3.3Å; A135-L137 PolarHBondContact O-N 2.97Å; L137-L140 HydrophobicContact CD2-CD2 4.04Å; L137-L140 WeakPolarHBondContact O-CB 3.27Å; L137-L140 PolarHBondContact O-N 3.35Å; L137-G141 PolarHBondContact O-N 3.08Å; L137-G141 VanDerWaalsContact O-N 3.08Å
138I98.9Very high98.4Very high1 Ų13.4 Ų3.41%0.0052%0.019CC..Hα-helixtrans-62.9-45.5168-65168.3000109.8F75 G134 A135 L140 G141 I185 H186 A190 V341 H345F75-I138 HydrophobicContact CE1-CG1 3.72Å; F75-I138 HydrophobicContact CZ-CD1 4.32Å; F75-I138 HydrophobicContact CZ-CG1 3.74Å; G134-I138 WeakPolarHBondContact O-CG1 3.49Å; G134-I138 PolarHBondContact O-N 3.45Å; A135-I138 WeakPolarHBondContact O-CB 3.44Å; A135-I138 PolarHBondContact O-N 3.03Å; I138-L140 PolarHBondContact O-N 2.87Å; I138-G141 PolarHBondContact O-N 3.35Å; I138-G141 VanDerWaalsContact O-N 3.15Å; I138-I185 HydrophobicContact CD1-CG2 4.02Å; I138-H186 VanDerWaalsContact CD1-ND1 3.33Å; I138-H186 WeakPolarHBondContact CD1-ND1 3.36Å; I138-A190 HydrophobicContact CG2-CB 4.12Å; I138-V341 HydrophobicContact CG2-CB 4.21Å; I138-V341 WeakPolarHBondContact O-CG1 3.13Å; I138-H345 HydrophobicContact CD1-CB 4.29Å; I138-H345 HydrophobicContact CG2-CB 3.78Å
139S98.9Very high98.2Very high0 Ų02.2 Ų2.20%01%0.013CC..Hα-helixtrans-62.2-40.7175.5-71.70000112.9A135 V136 G141 A142 E159 G189 F192 G193A135-S139 PolarHBondContact O-N 3.05Å; V136-S139 WeakPolarHBondContact O-CB 3.28Å; V136-S139 PolarHBondContact O-N 3.45Å; S139-G141 VanDerWaalsContact C-N 3.27Å; S139-G141 PolarHBondContact O-N 3.35Å; S139-A142 WeakPolarHBondContact O-CB 3.46Å; S139-A142 PolarHBondContact O-N 3.03Å; S139-A142 VanDerWaalsContact O-N 3.15Å; S139-E159 WeakPolarHBondContact CB-OE1 3.37Å; S139-E159 VanDerWaalsContact CB-OE2 3.24Å; S139-E159 WeakPolarHBondContact CB-OE2 3.21Å; S139-E159 VanDerWaalsContact OG-CD 3.24Å; S139-E159 PolarHBondContact OG-OE1 3.41Å; S139-E159 PolarHBondContact OG-OE2 3.47Å; S139-G189 PolarHBondContact OG-O 2.96Å; S139-F192 WeakPolarHBondContact OG-CD1 3.49Å; S139-G193 PolarHBondContact OG-N 3.5Å
140L98.9Very high98.1Very high1 Ų12.3 Ų2.31%0.0051%0.014CC..Hα-helixtrans-53.9-45.2172.2168.963.2000110.6M79 L96 V136 L137 I138 A142 V143 L144 L152 M155M79-L140 HydrophobicContact CE-CD2 3.77Å; M79-L140 HydrophobicContact CE-CG 4.47Å; M79-L140 HydrophobicContact SD-CD2 3.91Å; M79-L140 HydrophobicContact SD-CG 4.01Å; L96-L140 HydrophobicContact CD1-CB 4.18Å; L96-L140 HydrophobicContact CD1-CD1 4.24Å; L96-L140 HydrophobicContact CD1-CD2 3.88Å; L96-L140 HydrophobicContact CD1-CG 4.31Å; V136-L140 PolarHBondContact O-N 3.19Å; L137-L140 HydrophobicContact CD2-CD2 4.04Å; L137-L140 WeakPolarHBondContact O-CB 3.27Å; L137-L140 PolarHBondContact O-N 3.35Å; I138-L140 PolarHBondContact O-N 2.87Å; L140-A142 PolarHBondContact O-N 3.48Å; L140-A142 VanDerWaalsContact O-N 3.15Å; L140-V143 CarbonylContact O-C 3.59Å; L140-V143 PolarHBondContact O-N 3.32Å; L140-L144 HydrophobicContact CD1-CD1 4.05Å; L140-L144 HydrophobicContact CG-CD1 4.23Å; L140-L144 WeakPolarHBondContact O-CA 3.2Å; L140-L144 WeakPolarHBondContact O-CB 3.12Å; L140-L144 PolarHBondContact O-N 3.14Å; L140-L152 HydrophobicContact CD1-CD1 3.82Å; L140-L152 HydrophobicContact CD1-CD2 3.59Å; L140-L152 HydrophobicContact CD1-CG 4.36Å; L140-M155 HydrophobicContact CB-CE 4.42Å
141G98.8Very high98Very high2 Ų22.3 Ų2.32%0.0211%0.014CC..Hα-helixtrans-56.2-31.9-179.900000114.1L137 I138 S139 T338 C339L137-G141 PolarHBondContact O-N 3.08Å; L137-G141 VanDerWaalsContact O-N 3.08Å; I138-G141 PolarHBondContact O-N 3.35Å; I138-G141 VanDerWaalsContact O-N 3.15Å; S139-G141 VanDerWaalsContact C-N 3.27Å; S139-G141 PolarHBondContact O-N 3.35Å; G141-T338 WeakPolarHBondContact O-CB 3.36Å; G141-C339 PolarHBondContact O-N 3.39Å; G141-C339 PolarHBondContact O-SG 3.32Å
142A98.8Very high98Very high0 Ų02.1 Ų2.10%01%0.014CC..Hα-helixtrans-69.5-35.8175.100000112.6S139 L140 K146 G193 Q336 T338 V341S139-A142 WeakPolarHBondContact O-CB 3.46Å; S139-A142 PolarHBondContact O-N 3.03Å; S139-A142 VanDerWaalsContact O-N 3.15Å; L140-A142 PolarHBondContact O-N 3.48Å; L140-A142 VanDerWaalsContact O-N 3.15Å; A142-K146 PolarHBondContact O-NZ 3.31Å; A142-G193 VanDerWaalsContact CB-O 3.3Å; A142-G193 WeakPolarHBondContact CB-O 3.43Å; A142-Q336 VanDerWaalsContact O-O 3.04Å; A142-T338 PolarHBondContact O-N 3Å; A142-V341 HydrophobicContact CB-CG2 3.82Å
143V98.6Very high98Very high2 Ų22.3 Ų2.31%0.0122%0.015CC..Hα-helixtrans-107.83.6-174.2-62.80000114.5L140 K146 T147 L152 M155 L196 L200L140-V143 CarbonylContact O-C 3.59Å; L140-V143 PolarHBondContact O-N 3.32Å; V143-K146 PolarHBondContact O-N 2.84Å; V143-K146 VanDerWaalsContact O-N 3.14Å; V143-T147 HydrophobicContact CB-CG2 3.99Å; V143-T147 HydrophobicContact CG2-CG2 4.24Å; V143-T147 PolarHBondContact O-OG1 2.78Å; V143-L152 HydrophobicContact CG2-CD2 4.21Å; V143-M155 HydrophobicContact CG2-SD 4.14Å; V143-L196 HydrophobicContact CG1-CD2 3.72Å; V143-L196 HydrophobicContact CG1-CG 4.02Å; V143-L196 HydrophobicContact CG2-CD2 4.16Å; V143-L200 HydrophobicContact CG1-CD1 4.43Å
144L98.3Very high97.9Very high1 Ų13.6 Ų3.61%0.0052%0.021CC..THydrogen-bonded Turntrans-53.3137.5-179.7-174.172.8000110.8M79 L82 Y85 L140 K146 T338 Y429M79-L144 HydrophobicContact CB-CD2 3.72Å; M79-L144 HydrophobicContact CG-CD2 3.95Å; M79-L144 HydrophobicContact SD-CD1 4.17Å; M79-L144 HydrophobicContact SD-CD2 4.1Å; L82-L144 HydrophobicContact CD1-CD2 3.66Å; L82-L144 HydrophobicContact CD1-CG 3.95Å; Y85-L144 HydrophobicContact CD1-CD1 4.13Å; Y85-L144 HydrophobicContact CD1-CG 4.21Å; Y85-L144 HydrophobicContact CE1-CD1 3.86Å; Y85-L144 HydrophobicContact CE1-CG 4.2Å; L140-L144 HydrophobicContact CD1-CD1 4.05Å; L140-L144 HydrophobicContact CG-CD1 4.23Å; L140-L144 WeakPolarHBondContact O-CA 3.2Å; L140-L144 WeakPolarHBondContact O-CB 3.12Å; L140-L144 PolarHBondContact O-N 3.14Å; L144-K146 PolarHBondContact O-N 3.06Å; L144-T338 HydrophobicContact CB-CG2 4Å; L144-T338 HydrophobicContact CD2-CG2 4.31Å; L144-T338 HydrophobicContact CG-CG2 4.46Å; L144-T338 WeakPolarHBondContact O-CB 3.44Å; L144-T338 WeakPolarHBondContact O-CG2 3.45Å; L144-T338 PolarHBondContact O-OG1 3.24Å; L144-Y429 WeakPolarHBondContact O-CE1 3.46Å
145G97.6Very high97.9Very high0 Ų03.6 Ų3.60%02%0.021CC..THydrogen-bonded Turntrans80.6-10.1179.700000115.3Y85 C428 Y429Y85-G145 VanDerWaalsContact CE1-CA 3.44Å; Y85-G145 VanDerWaalsContact CE1-N 3.32Å; Y85-G145 VanDerWaalsContact CZ-CA 3.45Å; G145-C428 CarbonylContact O-C 3.37Å; G145-C428 VanDerWaalsContact O-CA 3.28Å; G145-C428 WeakPolarHBondContact O-CA 3.43Å; G145-C428 VanDerWaalsContact O-CB 3.25Å; G145-C428 WeakPolarHBondContact O-CB 3.41Å; G145-Y429 PolarHBondContact O-N 3.2Å
146K97.3Very high97.9Very high9 Ų93.6 Ų3.64%0.0392%0.021CC..SBendtrans-117.4-4.5-173.2-62.7168.9-60.4-145.10113.4A142 V143 L144 R202 L205 Q336 T338 C428 Y429A142-K146 PolarHBondContact O-NZ 3.31Å; V143-K146 PolarHBondContact O-N 2.84Å; V143-K146 VanDerWaalsContact O-N 3.14Å; L144-K146 PolarHBondContact O-N 3.06Å; K146-R202 PolarHBondContact O-NE 3.46Å; K146-R202 PolarHBondContact O-NH2 3.39Å; K146-L205 HydrophobicContact CD-CD1 4.4Å; K146-L205 HydrophobicContact CD-CD2 4.09Å; K146-L205 HydrophobicContact CG-CD1 4.21Å; K146-Q336 PolarHBondContact NZ-O 2.91Å; K146-T338 WeakPolarHBondContact CE-OG1 3.22Å; K146-T338 PolarHBondContact NZ-OG1 3.45Å; K146-C428 HydrophobicContact CG-CB 4.5Å; K146-Y429 WeakPolarHBondContact CD-OH 3.47Å; K146-Y429 HydrophobicContact CG-CE1 4.36Å
147T96.4Very high97.9Very high2 Ų26.1 Ų6.11%0.0123%0.034CC..SBendtrans-128.9149.4-175.549.80000110.6Y85 V143 Q151 L152 L200Y85-T147 PolarHBondContact OH-O 3.22Å; V143-T147 HydrophobicContact CB-CG2 3.99Å; V143-T147 HydrophobicContact CG2-CG2 4.24Å; V143-T147 PolarHBondContact O-OG1 2.78Å; T147-Q151 VanDerWaalsContact CA-OE1 3.3Å; T147-L152 VanDerWaalsContact OG1-CD2 3.32Å; T147-L152 WeakPolarHBondContact OG1-CD2 3.46Å; T147-L200 HydrophobicContact CG2-CD1 4.04Å
148G94.8Very high97.9Very high2 Ų28.3 Ų8.32%0.0215%0.045CC..  trans-91.1165.7174.800000112.7A150 Q151 L152G148-A150 VanDerWaalsContact C-N 3.31Å; G148-A150 PolarHBondContact O-N 3.01Å; G148-Q151 WeakPolarHBondContact O-CB 3.42Å; G148-Q151 PolarHBondContact O-N 2.85Å; G148-L152 WeakPolarHBondContact O-CG 3.45Å; G148-L152 PolarHBondContact O-N 3.42Å
149P95.8Very high97.9Very high12 Ų128.2 Ų8.28%0.0785%0.045CC..Hα-helixtrans-62.7-32.4-174.924.2-34.4000113.8L15 F92 L95 L152 L153L15-P149 HydrophobicContact CD1-CB 3.87Å; L15-P149 HydrophobicContact CD1-CG 4.16Å; L15-P149 HydrophobicContact CD2-CB 4.08Å; L15-P149 HydrophobicContact CD2-CG 3.76Å; L15-P149 HydrophobicContact CG-CG 4.47Å; F92-P149 HydrophobicContact CD1-CB 4.13Å; F92-P149 HydrophobicContact CE1-CB 3.83Å; F92-P149 HydrophobicContact CE1-CG 4.07Å; F92-P149 HydrophobicContact CZ-CB 4.15Å; F92-P149 HydrophobicContact CZ-CG 4.06Å; L95-P149 HydrophobicContact CD2-CB 4.01Å; P149-L152 PolarHBondContact O-N 2.83Å; P149-L153 WeakPolarHBondContact O-CG 3.23Å; P149-L153 PolarHBondContact O-N 3.11Å
150A95.7Very high97.9Very high5 Ų58.2 Ų8.24%0.0415%0.045CC..Hα-helixtrans-66.6-39.2174.300000112.2Q14 L18 G148 L152 L154Q14-A150 HydrophobicContact CG-CB 4.16Å; L18-A150 HydrophobicContact CD2-CB 4.07Å; G148-A150 VanDerWaalsContact C-N 3.31Å; G148-A150 PolarHBondContact O-N 3.01Å; A150-L152 VanDerWaalsContact C-N 3.33Å; A150-L154 WeakPolarHBondContact O-CG 3.4Å; A150-L154 PolarHBondContact O-N 2.89Å
151Q97.4Very high97.9Very high3 Ų310.3 Ų10.31%0.0146%0.058CC..Hα-helixtrans-63.8-43.2174.2-67179.2-72.200110.6T147 G148 L154 M155 L415 L420 S422T147-Q151 VanDerWaalsContact CA-OE1 3.3Å; G148-Q151 WeakPolarHBondContact O-CB 3.42Å; G148-Q151 PolarHBondContact O-N 2.85Å; Q151-L154 PolarHBondContact O-N 3.42Å; Q151-M155 PolarHBondContact O-N 3.08Å; Q151-L415 HydrophobicContact CB-CD1 4Å; Q151-L415 HydrophobicContact CB-CD2 3.95Å; Q151-L415 HydrophobicContact CB-CG 4.39Å; Q151-L415 HydrophobicContact CG-CD2 4.49Å; Q151-L415 PolarHBondContact NE2-O 2.95Å; Q151-L415 WeakPolarHBondContact O-CD2 3.41Å; Q151-L420 HydrophobicContact CG-CB 3.74Å; Q151-L420 HydrophobicContact CG-CD1 4.13Å; Q151-L420 HydrophobicContact CG-CG 4.5Å; Q151-S422 VanDerWaalsContact OE1-CB 3.29Å
152L98.3Very high97.9Very high2 Ų211.5 Ų11.51%0.016%0.063CC..Hα-helixtrans-63.1-42.5179.3-67.9177.2000112.5F92 L96 L140 V143 T147 G148 P149 A150 L154 M155 A156F92-L152 HydrophobicContact CB-CD1 3.84Å; F92-L152 HydrophobicContact CD2-CD1 3.78Å; F92-L152 HydrophobicContact CG-CD1 4.05Å; L96-L152 HydrophobicContact CD1-CB 4.01Å; L96-L152 HydrophobicContact CD1-CD1 4.29Å; L96-L152 HydrophobicContact CD1-CD2 4.31Å; L96-L152 HydrophobicContact CD1-CG 4.44Å; L96-L152 HydrophobicContact CD2-CB 3.65Å; L96-L152 WeakPolarHBondContact CD2-O 3.23Å; L96-L152 HydrophobicContact CG-CB 4.13Å; L140-L152 HydrophobicContact CD1-CD1 3.82Å; L140-L152 HydrophobicContact CD1-CD2 3.59Å; L140-L152 HydrophobicContact CD1-CG 4.36Å; V143-L152 HydrophobicContact CG2-CD2 4.21Å; T147-L152 VanDerWaalsContact OG1-CD2 3.32Å; T147-L152 WeakPolarHBondContact OG1-CD2 3.46Å; G148-L152 WeakPolarHBondContact O-CG 3.45Å; G148-L152 PolarHBondContact O-N 3.42Å; P149-L152 PolarHBondContact O-N 2.83Å; A150-L152 VanDerWaalsContact C-N 3.33Å; L152-L154 VanDerWaalsContact C-N 3.32Å; L152-L154 PolarHBondContact O-N 3.24Å; L152-M155 HydrophobicContact CD2-CE 4.27Å; L152-M155 HydrophobicContact CD2-SD 4.38Å; L152-M155 VanDerWaalsContact O-CB 3.31Å; L152-M155 WeakPolarHBondContact O-CB 3.24Å; L152-M155 PolarHBondContact O-N 2.79Å; L152-A156 PolarHBondContact O-N 3.22Å
153L98.3Very high97.9Very high4 Ų411.5 Ų11.52%0.0216%0.064CC..Hα-helixtrans-62-38.2175.6-75.8171000112.6L15 L18 L22 L95 F99 P149 A156 L157L15-L153 HydrophobicContact CD1-CD1 3.89Å; L18-L153 HydrophobicContact CD2-CB 3.92Å; L18-L153 HydrophobicContact CD2-CD1 3.97Å; L18-L153 HydrophobicContact CG-CD1 4.19Å; L22-L153 HydrophobicContact CD1-CB 4.04Å; L22-L153 HydrophobicContact CD1-CD1 4.35Å; L22-L153 HydrophobicContact CD1-CD2 4.27Å; L22-L153 HydrophobicContact CD1-CG 4.46Å; L95-L153 HydrophobicContact CD1-CD2 4.31Å; L95-L153 HydrophobicContact CD2-CD1 4.28Å; L95-L153 HydrophobicContact CD2-CD2 4.46Å; L95-L153 HydrophobicContact CD2-CG 4.27Å; L95-L153 HydrophobicContact CG-CD2 4.12Å; L95-L153 HydrophobicContact CG-CG 4.47Å; F99-L153 HydrophobicContact CB-CD2 4.04Å; F99-L153 HydrophobicContact CD1-CD2 4.06Å; F99-L153 HydrophobicContact CG-CD2 4.09Å; P149-L153 WeakPolarHBondContact O-CG 3.23Å; P149-L153 PolarHBondContact O-N 3.11Å; L153-A156 PolarHBondContact O-N 2.76Å; L153-L157 WeakPolarHBondContact O-CB 3.41Å; L153-L157 PolarHBondContact O-N 2.9Å
154L97.9Very high97.9Very high26 Ų2611.4 Ų11.414%0.1366%0.063CC..Hα-helixtrans-70.7-34.5175.3-67.1-178000112.7L18 A150 Q151 L152 L157 L158 L414 L415 L420L18-L154 HydrophobicContact CD1-CD2 4.38Å; A150-L154 WeakPolarHBondContact O-CG 3.4Å; A150-L154 PolarHBondContact O-N 2.89Å; Q151-L154 PolarHBondContact O-N 3.42Å; L152-L154 VanDerWaalsContact C-N 3.32Å; L152-L154 PolarHBondContact O-N 3.24Å; L154-L157 HydrophobicContact CD2-CD2 4.42Å; L154-L158 PolarHBondContact O-N 2.86Å; L154-L414 HydrophobicContact CB-CD2 4.13Å; L154-L415 HydrophobicContact CB-CD2 3.93Å; L154-L420 HydrophobicContact CD1-CD1 3.87Å; L154-L420 HydrophobicContact CD1-CD2 3.51Å; L154-L420 HydrophobicContact CD1-CG 4.36Å
155M98.6Very high97.9Very high1 Ų114.2 Ų14.21%0.0058%0.077CC..Hα-helixtrans-58.6-54.9170.5-173.3-172.282.200110.1V136 L140 V143 Q151 L152 L157 L158 E159 F192 L196 L415V136-M155 HydrophobicContact CG1-CE 3.99Å; L140-M155 HydrophobicContact CB-CE 4.42Å; V143-M155 HydrophobicContact CG2-SD 4.14Å; Q151-M155 PolarHBondContact O-N 3.08Å; L152-M155 HydrophobicContact CD2-CE 4.27Å; L152-M155 HydrophobicContact CD2-SD 4.38Å; L152-M155 VanDerWaalsContact O-CB 3.31Å; L152-M155 WeakPolarHBondContact O-CB 3.24Å; L152-M155 PolarHBondContact O-N 2.79Å; M155-L157 VanDerWaalsContact C-N 3.3Å; M155-L157 PolarHBondContact O-N 3.33Å; M155-L158 PolarHBondContact O-N 3.42Å; M155-E159 WeakPolarHBondContact O-CB 3.11Å; M155-E159 PolarHBondContact O-N 3.34Å; M155-F192 HydrophobicContact CG-CE1 3.84Å; M155-F192 HydrophobicContact CG-CZ 4.48Å; M155-L196 HydrophobicContact CG-CD2 3.84Å; M155-L196 HydrophobicContact SD-CD2 3.33Å; M155-L196 WeakPolarHBondContact SD-CD2 3.11Å; M155-L415 HydrophobicContact CB-CD1 4.21Å
156A98.8Very high98Very high0 Ų014.2 Ų14.20%08%0.077CC..Hα-helixtrans-59.7-38.718000000112.4L96 F99 V136 L152 L153 L158 E159 V160L96-A156 HydrophobicContact CD2-CB 3.81Å; F99-A156 HydrophobicContact CD1-CB 3.89Å; F99-A156 HydrophobicContact CE1-CB 4.09Å; V136-A156 HydrophobicContact CG1-CB 3.88Å; L152-A156 PolarHBondContact O-N 3.22Å; L153-A156 PolarHBondContact O-N 2.76Å; A156-L158 VanDerWaalsContact C-N 3.34Å; A156-L158 PolarHBondContact O-N 2.88Å; A156-E159 PolarHBondContact O-N 2.93Å; A156-V160 WeakPolarHBondContact O-CB 3.4Å; A156-V160 WeakPolarHBondContact O-CG2 3.37Å; A156-V160 PolarHBondContact O-N 3.23Å
157L98.6Very high98Very high55 Ų5514.1 Ų14.129%0.2888%0.077SC..Hα-helixtrans-58.1-45.3177.7179.970.3000111.9L22 F99 W103 L153 L154 M155 V161L22-L157 HydrophobicContact CD2-CD1 4.18Å; L22-L157 HydrophobicContact CD2-CD2 4.41Å; F99-L157 HydrophobicContact CE1-CB 4.14Å; F99-L157 HydrophobicContact CZ-CB 4.3Å; F99-L157 HydrophobicContact CZ-CD1 3.88Å; W103-L157 HydrophobicContact CD2-CD1 4.41Å; W103-L157 HydrophobicContact CZ2-CD1 3.95Å; W103-L157 PolarHBondContact NE1-O 2.96Å; L153-L157 WeakPolarHBondContact O-CB 3.41Å; L153-L157 PolarHBondContact O-N 2.9Å; L154-L157 HydrophobicContact CD2-CD2 4.42Å; M155-L157 VanDerWaalsContact C-N 3.3Å; M155-L157 PolarHBondContact O-N 3.33Å; L157-V161 WeakPolarHBondContact O-CG2 3.41Å
158L98.7Very high98.1Very high46 Ų4616.5 Ų16.524%0.2419%0.087CC..Hα-helixtrans-75.3-47.2178.4176.264.8000111.8L154 M155 A156 V160 V161 L162 L410L154-L158 PolarHBondContact O-N 2.86Å; M155-L158 PolarHBondContact O-N 3.42Å; A156-L158 VanDerWaalsContact C-N 3.34Å; A156-L158 PolarHBondContact O-N 2.88Å; L158-V160 PolarHBondContact O-N 3.47Å; L158-V161 PolarHBondContact O-N 2.85Å; L158-L162 HydrophobicContact CD1-CD1 4.06Å; L158-L162 HydrophobicContact CD1-CG 4.35Å; L158-L162 HydrophobicContact CG-CD1 4.07Å; L158-L162 PolarHBondContact O-N 3.04Å; L158-L410 HydrophobicContact CD2-CB 4.36Å
159E98.9Very high98.3Very high0 Ų017.9 Ų17.90%010%0.095CC..Hα-helixtrans-63.8-43.1-171.8-173.5173.817900112V136 S139 M155 A156 V161 L162 F163 F188 F192V136-E159 HydrophobicContact CG2-CB 4.33Å; V136-E159 HydrophobicContact CG2-CG 4.12Å; S139-E159 WeakPolarHBondContact CB-OE1 3.37Å; S139-E159 VanDerWaalsContact CB-OE2 3.24Å; S139-E159 WeakPolarHBondContact CB-OE2 3.21Å; S139-E159 VanDerWaalsContact OG-CD 3.24Å; S139-E159 PolarHBondContact OG-OE1 3.41Å; S139-E159 PolarHBondContact OG-OE2 3.47Å; M155-E159 WeakPolarHBondContact O-CB 3.11Å; M155-E159 PolarHBondContact O-N 3.34Å; A156-E159 PolarHBondContact O-N 2.93Å; E159-V161 VanDerWaalsContact C-N 3.28Å; E159-V161 PolarHBondContact O-N 2.98Å; E159-L162 PolarHBondContact O-N 3.34Å; E159-F163 WeakPolarHBondContact O-CB 3.36Å; E159-F163 PolarHBondContact O-N 3.25Å; E159-F188 HydrophobicContact CG-CE1 3.83Å; E159-F188 HydrophobicContact CG-CZ 4.38Å; E159-F192 HydrophobicContact CB-CE1 4Å; E159-F192 HydrophobicContact CB-CE2 4.08Å; E159-F192 HydrophobicContact CB-CZ 3.71Å; E159-F192 HydrophobicContact CG-CD1 4.09Å; E159-F192 HydrophobicContact CG-CD2 4.19Å; E159-F192 HydrophobicContact CG-CE1 3.98Å; E159-F192 HydrophobicContact CG-CE2 4.07Å; E159-F192 HydrophobicContact CG-CG 4.2Å; E159-F192 HydrophobicContact CG-CZ 3.97Å; E159-F192 WeakPolarHBondContact OE2-CE1 3.43Å
160V98.9Very high98.4Very high0 Ų017.3 Ų17.30%09%0.091CC..Hα-helixtrans-59.9-38.4177.2168.40000111.8A100 W103 I107 V136 A156 L158 G164A100-V160 HydrophobicContact CB-CG2 4.08Å; W103-V160 HydrophobicContact CB-CG1 4.3Å; W103-V160 VanDerWaalsContact CD1-CB 3.48Å; W103-V160 VanDerWaalsContact CD1-CG1 3.42Å; W103-V160 HydrophobicContact CG-CB 4.44Å; W103-V160 HydrophobicContact CG-CG1 3.99Å; I107-V160 HydrophobicContact CB-CG1 4.4Å; I107-V160 HydrophobicContact CG1-CG1 4.17Å; V136-V160 HydrophobicContact CG2-CG2 3.86Å; A156-V160 WeakPolarHBondContact O-CB 3.4Å; A156-V160 WeakPolarHBondContact O-CG2 3.37Å; A156-V160 PolarHBondContact O-N 3.23Å; L158-V160 PolarHBondContact O-N 3.47Å; V160-G164 PolarHBondContact O-N 3.19Å
161V98.8Very high98.5Very high44 Ų4419.6 Ų19.627%0.26710%0.103SC..Hα-helixtrans-64.2-47.6176.9175.90000110.5W103 I107 L157 L158 E159 G164 I165W103-V161 HydrophobicContact CZ2-CG2 3.84Å; I107-V161 HydrophobicContact CD1-CG2 3.92Å; I107-V161 HydrophobicContact CG1-CG2 4Å; L157-V161 WeakPolarHBondContact O-CG2 3.41Å; L158-V161 PolarHBondContact O-N 2.85Å; E159-V161 VanDerWaalsContact C-N 3.28Å; E159-V161 PolarHBondContact O-N 2.98Å; V161-G164 PolarHBondContact O-N 2.99Å; V161-I165 HydrophobicContact CG1-CD1 3.93Å; V161-I165 WeakPolarHBondContact O-CG1 3.21Å; V161-I165 PolarHBondContact O-N 3.4Å
162L98.8Very high98.5Very high27 Ų2724.6 Ų24.614%0.14113%0.126CC..Hα-helixtrans-69.8-34.6-179.2-66.1177.9000112.4L158 E159 N166 F188 F192 F403L158-L162 HydrophobicContact CD1-CD1 4.06Å; L158-L162 HydrophobicContact CD1-CG 4.35Å; L158-L162 HydrophobicContact CG-CD1 4.07Å; L158-L162 PolarHBondContact O-N 3.04Å; E159-L162 PolarHBondContact O-N 3.34Å; L162-N166 VanDerWaalsContact O-CB 3.24Å; L162-N166 WeakPolarHBondContact O-CB 3.31Å; L162-N166 PolarHBondContact O-N 3.39Å; L162-F188 HydrophobicContact CB-CE2 4.36Å; L162-F188 HydrophobicContact CB-CZ 3.96Å; L162-F192 HydrophobicContact CD1-CE2 4.26Å; L162-F403 HydrophobicContact CD2-CD1 4.33Å
163F98.9Very high98.4Very high1 Ų129.9 Ų29.90%0.00415%0.153CC..Hα-helixtrans-58.4-53.4171.2177-83.1000110.2C132 A135 E159 I165 N166 E167 T184 I185 F188C132-F163 HydrophobicContact CB-CD1 3.63Å; C132-F163 HydrophobicContact CB-CE1 3.61Å; C132-F163 HydrophobicContact CB-CG 4.25Å; C132-F163 HydrophobicContact CB-CZ 4.16Å; C132-F163 WeakPolarHBondContact SG-CD1 3.46Å; A135-F163 HydrophobicContact CB-CD2 3.57Å; A135-F163 HydrophobicContact CB-CE2 3.67Å; E159-F163 WeakPolarHBondContact O-CB 3.36Å; E159-F163 PolarHBondContact O-N 3.25Å; F163-I165 VanDerWaalsContact C-N 3.34Å; F163-I165 PolarHBondContact O-N 3.31Å; F163-N166 PolarHBondContact O-N 2.94Å; F163-N166 VanDerWaalsContact O-N 3.16Å; F163-E167 HydrophobicContact CE1-CB 4.31Å; F163-E167 WeakPolarHBondContact O-CB 3.41Å; F163-E167 PolarHBondContact O-N 3.46Å; F163-T184 WeakPolarHBondContact CD2-O 3.26Å; F163-T184 WeakPolarHBondContact CE2-O 3.11Å; F163-I185 HydrophobicContact CE2-CG1 4Å; F163-I185 HydrophobicContact CZ-CG1 4.15Å; F163-F188 HydrophobicContact CB-CD1 4.35Å; F163-F188 HydrophobicContact CB-CE1 3.75Å; F163-F188 HydrophobicContact CB-CZ 4.08Å; F163-F188 AromaticContact CD2-CD1 3.85Å; F163-F188 HydrophobicContact CD2-CD1 3.85Å; F163-F188 HydrophobicContact CD2-CE1 4.1Å; F163-F188 HydrophobicContact CG-CE1 4.45Å
164G98.7Very high98.4Very high0 Ų031 Ų310%016%0.159CC..Hα-helixtrans-60.7-41.3-178.800000112.6L111 V160 V161 F168L111-G164 VanDerWaalsContact CD1-O 3.26Å; L111-G164 WeakPolarHBondContact CD1-O 3.26Å; V160-G164 PolarHBondContact O-N 3.19Å; V161-G164 PolarHBondContact O-N 2.99Å; G164-F168 VanDerWaalsContact O-CB 3.3Å; G164-F168 WeakPolarHBondContact O-CB 3.4Å; G164-F168 PolarHBondContact O-N 3.17Å
165I98.8Very high98.3Very high59 Ų5930.3 Ų30.330%0.30316%0.159SC..Hα-helixtrans-64.3-45.9175.2-65.8167000111L111 V161 F163 F168 V169 F403L111-I165 HydrophobicContact CD1-CG1 4.39Å; V161-I165 HydrophobicContact CG1-CD1 3.93Å; V161-I165 WeakPolarHBondContact O-CG1 3.21Å; V161-I165 PolarHBondContact O-N 3.4Å; F163-I165 VanDerWaalsContact C-N 3.34Å; F163-I165 PolarHBondContact O-N 3.31Å; I165-F168 PolarHBondContact O-N 3.42Å; I165-V169 HydrophobicContact CG2-CG2 4.41Å; I165-V169 VanDerWaalsContact O-CG2 3.27Å; I165-V169 WeakPolarHBondContact O-CG2 3.45Å; I165-V169 PolarHBondContact O-N 2.84Å; I165-F403 HydrophobicContact CG2-CE1 3.82Å; I165-F403 HydrophobicContact CG2-CZ 3.71Å
166N98.8Very high98.3Very high0 Ų030.3 Ų30.30%016%0.159CC..Hα-helixtrans-60-49.2178.418063.4000111.2L162 F163 F168 V169 L170 F188 T400 F403L162-N166 VanDerWaalsContact O-CB 3.24Å; L162-N166 WeakPolarHBondContact O-CB 3.31Å; L162-N166 PolarHBondContact O-N 3.39Å; F163-N166 PolarHBondContact O-N 2.94Å; F163-N166 VanDerWaalsContact O-N 3.16Å; N166-F168 PolarHBondContact O-N 3Å; N166-V169 PolarHBondContact O-N 3.19Å; N166-L170 WeakPolarHBondContact O-CD1 3.49Å; N166-L170 PolarHBondContact O-N 3.38Å; N166-F188 HydrophobicContact CB-CD2 4.33Å; N166-F188 HydrophobicContact CB-CE2 4.33Å; N166-T400 PolarHBondContact ND2-OG1 2.87Å; N166-T400 VanDerWaalsContact OD1-CA 3.27Å; N166-T400 WeakPolarHBondContact OD1-CA 3.4Å; N166-T400 PolarHBondContact OD1-OG1 3.44Å; N166-F403 HydrophobicContact CB-CB 4.31Å; N166-F403 HydrophobicContact CB-CD2 4.14Å; N166-F403 HydrophobicContact CB-CG 4.28Å
167E98.6Very high98.3Very high7 Ų733.8 Ų33.83%0.03317%0.172CC..Hα-helixtrans-57.7-47.2176.7-179.2-178.2-118.900111.8Q108 H112 F163 V169 L170 L171Q108-E167 PolarHBondContact NE2-OE1 3.27Å; Q108-E167 PolarHBondContact NE2-OE2 2.81Å; H112-E167 IonicContact NE2-OE2 3.7Å; F163-E167 HydrophobicContact CE1-CB 4.31Å; F163-E167 WeakPolarHBondContact O-CB 3.41Å; F163-E167 PolarHBondContact O-N 3.46Å; E167-V169 PolarHBondContact O-N 3.36Å; E167-L170 PolarHBondContact O-N 2.98Å; E167-L171 HydrophobicContact CG-CD1 3.71Å; E167-L171 HydrophobicContact CG-CG 4.21Å; E167-L171 WeakPolarHBondContact O-CB 3.18Å; E167-L171 WeakPolarHBondContact O-CG 3.26Å; E167-L171 PolarHBondContact O-N 3.25Å
168F98.5Very high98.3Very high53 Ų5331.5 Ų31.523%0.23216%0.16CC..Iπ-helixtrans-60.5-46.1177.2-178.7-100.8000112.3L111 H112 G164 I165 N166 L170 H172 L173L111-F168 HydrophobicContact CB-CB 4.21Å; L111-F168 HydrophobicContact CB-CD2 3.86Å; L111-F168 HydrophobicContact CB-CG 4.1Å; L111-F168 HydrophobicContact CD1-CB 4.08Å; L111-F168 HydrophobicContact CD2-CD1 4.46Å; L111-F168 HydrophobicContact CD2-CG 4.35Å; L111-F168 WeakPolarHBondContact O-CD2 3.26Å; L111-F168 WeakPolarHBondContact O-CE2 3.42Å; H112-F168 AromaticContact CE1-CD2 3.58Å; H112-F168 AromaticContact ND1-CD2 3.79Å; G164-F168 VanDerWaalsContact O-CB 3.3Å; G164-F168 WeakPolarHBondContact O-CB 3.4Å; G164-F168 PolarHBondContact O-N 3.17Å; I165-F168 PolarHBondContact O-N 3.42Å; N166-F168 PolarHBondContact O-N 3Å; F168-L170 PolarHBondContact O-N 3.27Å; F168-H172 HydrophobicContact CD2-CB 3.99Å; F168-H172 HydrophobicContact CE2-CB 3.94Å; F168-H172 WeakPolarHBondContact O-CA 3.39Å; F168-H172 WeakPolarHBondContact O-CB 3.23Å; F168-H172 PolarHBondContact O-N 3.18Å; F168-L173 HydrophobicContact CD1-CD1 4.21Å; F168-L173 HydrophobicContact CD1-CG 4.17Å; F168-L173 HydrophobicContact CE1-CD1 3.97Å; F168-L173 HydrophobicContact CE1-CD2 3.78Å; F168-L173 HydrophobicContact CE1-CG 3.85Å; F168-L173 HydrophobicContact CZ-CD2 4.07Å; F168-L173 PolarHBondContact O-N 3.18Å
169V98.7Very high98.1Very high30 Ų3030.1 Ų30.118%0.18216%0.155CC..Iπ-helixtrans-60.3-48177.41720000110.8I165 N166 E167 L173 L174 V399I165-V169 HydrophobicContact CG2-CG2 4.41Å; I165-V169 VanDerWaalsContact O-CG2 3.27Å; I165-V169 WeakPolarHBondContact O-CG2 3.45Å; I165-V169 PolarHBondContact O-N 2.84Å; N166-V169 PolarHBondContact O-N 3.19Å; E167-V169 PolarHBondContact O-N 3.36Å; V169-L173 HydrophobicContact CG2-CD1 4.18Å; V169-L173 WeakPolarHBondContact O-CB 3.34Å; V169-L173 PolarHBondContact O-N 3.22Å; V169-L174 HydrophobicContact CG1-CD1 4.12Å; V169-L174 HydrophobicContact CG1-CG 4.39Å; V169-L174 WeakPolarHBondContact O-CG 3.44Å; V169-L174 PolarHBondContact O-N 2.81Å; V169-V399 HydrophobicContact CG1-CG1 3.98Å
170L98.6Very high98Very high0 Ų030.1 Ų30.10%016%0.155CC..Iπ-helixtrans-65.9-60.8-178.6-93.164.5000111.5N166 E167 F168 L174 G175 V176 M183 T184 V399 T400N166-L170 WeakPolarHBondContact O-CD1 3.49Å; N166-L170 PolarHBondContact O-N 3.38Å; E167-L170 PolarHBondContact O-N 2.98Å; F168-L170 PolarHBondContact O-N 3.27Å; L170-L174 WeakPolarHBondContact O-CB 3.3Å; L170-G175 PolarHBondContact O-N 3.39Å; L170-G175 VanDerWaalsContact O-N 3.13Å; L170-V176 HydrophobicContact CB-CB 4.11Å; L170-V176 HydrophobicContact CB-CG1 4.29Å; L170-V176 HydrophobicContact CB-CG2 4.45Å; L170-V176 HydrophobicContact CD2-CG1 4.28Å; L170-V176 HydrophobicContact CG-CB 4.4Å; L170-V176 HydrophobicContact CG-CG1 4.3Å; L170-V176 HydrophobicContact CG-CG2 4.35Å; L170-V176 VanDerWaalsContact O-CB 3.31Å; L170-V176 WeakPolarHBondContact O-CB 3.3Å; L170-V176 PolarHBondContact O-N 3.1Å; L170-M183 HydrophobicContact CD2-CB 4.12Å; L170-T184 HydrophobicContact CB-CG2 4.39Å; L170-T184 HydrophobicContact CD2-CG2 3.77Å; L170-V399 HydrophobicContact CD1-CB 3.98Å; L170-V399 HydrophobicContact CD1-CG1 3.67Å; L170-T400 VanDerWaalsContact CD2-OG1 3.23Å; L170-T400 WeakPolarHBondContact CD2-OG1 3.38Å
171L97.5Very high98Very high54 Ų5430.1 Ų30.128%0.28316%0.155SC..Iπ-helixtrans-77-35.5-166.6-56.9-172.9000112.3E167 V176 D178E167-L171 HydrophobicContact CG-CD1 3.71Å; E167-L171 HydrophobicContact CG-CG 4.21Å; E167-L171 WeakPolarHBondContact O-CB 3.18Å; E167-L171 WeakPolarHBondContact O-CG 3.26Å; E167-L171 PolarHBondContact O-N 3.25Å; L171-V176 WeakPolarHBondContact CD2-O 3.44Å; L171-D178 HydrophobicContact CD2-CB 4.27Å
172H95.9Very high98Very high108 Ų10828 Ų2850%0.514%0.143SC..Iπ-helixtrans-100.9-44.9-173.4-67.556.7000112.9H112 F168H112-H172 AromaticContact CE1-CE1 3.17Å; H112-H172 PolarHBondContact CE1-CE1 3.19Å; H112-H172 AromaticContact CE1-CG 3.87Å; H112-H172 AromaticContact CE1-ND1 3.2Å; H112-H172 PolarHBondContact CE1-ND1 3.37Å; H112-H172 AromaticContact CE1-NE2 3.74Å; H112-H172 AromaticContact ND1-CD2 3.56Å; H112-H172 AromaticContact ND1-CE1 2.89Å; H112-H172 PolarHBondContact ND1-CE1 3.29Å; H112-H172 AromaticContact ND1-CG 3.72Å; H112-H172 AromaticContact ND1-ND1 3.31Å; H112-H172 PolarHBondContact ND1-ND1 3.4Å; H112-H172 AromaticContact ND1-NE2 3Å; H112-H172 PolarHBondContact ND1-NE2 3.22Å; F168-H172 HydrophobicContact CD2-CB 3.99Å; F168-H172 HydrophobicContact CE2-CB 3.94Å; F168-H172 WeakPolarHBondContact O-CA 3.39Å; F168-H172 WeakPolarHBondContact O-CB 3.23Å; F168-H172 PolarHBondContact O-N 3.18Å
173L97.3Very high98Very high112 Ų11226.8 Ų26.859%0.58614%0.136SC*.Iπ-helixtrans-82.4-41.9-176.8-55.7-175.5000112.6F168 V169F168-L173 HydrophobicContact CD1-CD1 4.21Å; F168-L173 HydrophobicContact CD1-CG 4.17Å; F168-L173 HydrophobicContact CE1-CD1 3.97Å; F168-L173 HydrophobicContact CE1-CD2 3.78Å; F168-L173 HydrophobicContact CE1-CG 3.85Å; F168-L173 HydrophobicContact CZ-CD2 4.07Å; F168-L173 PolarHBondContact O-N 3.18Å; V169-L173 HydrophobicContact CG2-CD1 4.18Å; V169-L173 WeakPolarHBondContact O-CB 3.34Å; V169-L173 PolarHBondContact O-N 3.22Å
174L97.6Very high98Very high27 Ų2727 Ų2714%0.14114%0.137CC..Iπ-helixtrans-90.5-23-179.4-60.4174.8000112.3V169 L170 V176 R384 L392 F395V169-L174 HydrophobicContact CG1-CD1 4.12Å; V169-L174 HydrophobicContact CG1-CG 4.39Å; V169-L174 WeakPolarHBondContact O-CG 3.44Å; V169-L174 PolarHBondContact O-N 2.81Å; L170-L174 WeakPolarHBondContact O-CB 3.3Å; L174-V176 VanDerWaalsContact C-N 3.31Å; L174-V176 HydrophobicContact CB-CG2 3.87Å; L174-V176 HydrophobicContact CD1-CG2 4.45Å; L174-R384 PolarHBondContact O-NH1 3.41Å; L174-R384 PolarHBondContact O-NH2 3.41Å; L174-L392 HydrophobicContact CD2-CD2 4.13Å; L174-F395 HydrophobicContact CD1-CD1 3.68Å; L174-F395 HydrophobicContact CD1-CE1 3.99Å; L174-F395 HydrophobicContact CD2-CD1 3.97Å; L174-F395 HydrophobicContact CD2-CE1 4.02Å; L174-F395 HydrophobicContact CG-CD1 4.49Å
175G97.3Very high98Very high12 Ų1227.1 Ų27.112%0.12414%0.138CC..  trans67.235.1-173.200000111.9L170 Q389L170-G175 PolarHBondContact O-N 3.39Å; L170-G175 VanDerWaalsContact O-N 3.13Å; G175-Q389 PolarHBondContact O-NE2 2.7Å
176V98.3Very high98Very high2 Ų224.4 Ų24.41%0.01212%0.124CC..  trans-66.1143.3171.2166.70000108.9L170 L171 L174 D178 M183 L392L170-V176 HydrophobicContact CB-CB 4.11Å; L170-V176 HydrophobicContact CB-CG1 4.29Å; L170-V176 HydrophobicContact CB-CG2 4.45Å; L170-V176 HydrophobicContact CD2-CG1 4.28Å; L170-V176 HydrophobicContact CG-CB 4.4Å; L170-V176 HydrophobicContact CG-CG1 4.3Å; L170-V176 HydrophobicContact CG-CG2 4.35Å; L170-V176 VanDerWaalsContact O-CB 3.31Å; L170-V176 WeakPolarHBondContact O-CB 3.3Å; L170-V176 PolarHBondContact O-N 3.1Å; L171-V176 WeakPolarHBondContact CD2-O 3.44Å; L174-V176 VanDerWaalsContact C-N 3.31Å; L174-V176 HydrophobicContact CB-CG2 3.87Å; L174-V176 HydrophobicContact CD1-CG2 4.45Å; V176-D178 HydrophobicContact CG1-CB 4.4Å; V176-M183 HydrophobicContact CG1-CE 3.37Å; V176-M183 HydrophobicContact CG1-SD 4.4Å; V176-L392 WeakPolarHBondContact CG2-O 3.43Å
177R98.1Very high98Very high73 Ų7324.4 Ų24.428%0.27512%0.124SC..  trans-105.1119.9174.2-63.3-62.2169.8-173-6108.8T296 M300 V375 F376 P377 Q393R177-T296 WeakPolarHBondContact O-CG2 3.38Å; R177-M300 HydrophobicContact CB-CE 3.85Å; R177-V375 VanDerWaalsContact CD-O 3.24Å; R177-V375 WeakPolarHBondContact CD-O 3.4Å; R177-V375 PolarHBondContact NE-O 2.94Å; R177-F376 HydrophobicContact CB-CE1 4.32Å; R177-F376 HydrophobicContact CG-CD1 3.99Å; R177-F376 HydrophobicContact CG-CE1 3.75Å; R177-P377 VanDerWaalsContact NH2-CG 3.27Å; R177-Q393 PolarHBondContact O-NE2 2.76Å
178D98.4Very high98Very high7 Ų724 Ų244%0.03712%0.122CC..  trans-153.353.4-177.3-165.827.9000111.4L171 V176 G180 G181 S182 M183 T184 T296L171-D178 HydrophobicContact CD2-CB 4.27Å; V176-D178 HydrophobicContact CG1-CB 4.4Å; D178-G180 VanDerWaalsContact C-N 3.31Å; D178-G180 PolarHBondContact O-N 2.89Å; D178-G181 PolarHBondContact O-N 3.15Å; D178-G181 PolarHBondContact OD1-N 2.81Å; D178-G181 VanDerWaalsContact OD2-CA 3.3Å; D178-G181 WeakPolarHBondContact OD2-CA 3.44Å; D178-S182 PolarHBondContact OD1-N 3.5Å; D178-S182 PolarHBondContact OD2-N 2.91Å; D178-M183 HydrophobicContact CB-CE 3.78Å; D178-M183 VanDerWaalsContact OD2-CA 3.31Å; D178-M183 WeakPolarHBondContact OD2-CA 3.46Å; D178-M183 VanDerWaalsContact OD2-CB 3.23Å; D178-M183 WeakPolarHBondContact OD2-CB 3.45Å; D178-M183 PolarHBondContact OD2-N 3.47Å; D178-T184 PolarHBondContact OD2-N 3.41Å; D178-T184 PolarHBondContact OD2-OG1 2.94Å; D178-T296 HydrophobicContact CB-CG2 4.5Å; D178-T296 VanDerWaalsContact OD1-CA 3.3Å; D178-T296 WeakPolarHBondContact OD1-CA 3.29Å; D178-T296 WeakPolarHBondContact OD1-CB 3.31Å; D178-T296 PolarHBondContact OD1-OG1 2.98Å
179A94.4Very high98Very high16 Ų1621.5 Ų21.513%0.13211%0.111CC..THydrogen-bonded Turntrans-50.8-43.7-171.900000115T241 E299A179-T241 HydrophobicContact CB-CG2 3.47Å; A179-T241 VanDerWaalsContact CB-CG2 3.47Å; A179-E299 HydrophobicContact CB-CB 4.24Å; A179-E299 HydrophobicContact CB-CG 4.05Å; A179-E299 WeakPolarHBondContact CB-OE1 3.37Å; A179-E299 PolarHBondContact N-OE1 3.22Å
180G97.1Very high98.1Very high0 Ų020.1 Ų20.10%010%0.103CC..THydrogen-bonded Turntrans-93.77.5176.900000114.8D178 S182 N237 G295D178-G180 VanDerWaalsContact C-N 3.31Å; D178-G180 PolarHBondContact O-N 2.89Å; G180-S182 PolarHBondContact O-N 3.37Å; G180-N237 WeakPolarHBondContact CA-OD1 3.32Å; G180-G295 WeakPolarHBondContact CA-O 3Å; G180-G295 PolarHBondContact N-O 3.49Å
181G98.5Very high98.1Very high1 Ų122.5 Ų22.51%0.0111%0.112CC..  trans67.536.2168.700000116D178 M183 T184 I185 H186D178-G181 PolarHBondContact O-N 3.15Å; D178-G181 PolarHBondContact OD1-N 2.81Å; D178-G181 VanDerWaalsContact OD2-CA 3.3Å; D178-G181 WeakPolarHBondContact OD2-CA 3.44Å; G181-M183 PolarHBondContact O-N 3.43Å; G181-T184 WeakPolarHBondContact CA-OG1 3.48Å; G181-I185 WeakPolarHBondContact O-CA 3.26Å; G181-I185 WeakPolarHBondContact O-CB 3.41Å; G181-I185 PolarHBondContact O-N 2.86Å; G181-H186 PolarHBondContact O-CD2 2.92Å; G181-H186 PolarHBondContact O-N 2.79Å
182S98.9Very high98.1Very high0 Ų019.9 Ų19.90%010%0.099CC..Iπ-helixtrans-60.4-33173.8-50.10000110.9D178 G180 T187 V292 G295 T296 G349D178-S182 PolarHBondContact OD1-N 3.5Å; D178-S182 PolarHBondContact OD2-N 2.91Å; G180-S182 PolarHBondContact O-N 3.37Å; S182-T187 VanDerWaalsContact O-CB 3.31Å; S182-T187 WeakPolarHBondContact O-CB 3.32Å; S182-T187 PolarHBondContact O-N 3.47Å; S182-T187 PolarHBondContact O-OG1 2.83Å; S182-V292 PolarHBondContact OG-O 3.25Å; S182-G295 WeakPolarHBondContact OG-CA 3.47Å; S182-G295 PolarHBondContact OG-N 2.9Å; S182-G295 VanDerWaalsContact OG-N 3.14Å; S182-T296 VanDerWaalsContact CB-OG1 3.23Å; S182-T296 WeakPolarHBondContact CB-OG1 3.34Å; S182-T296 PolarHBondContact OG-N 2.93Å; S182-T296 PolarHBondContact OG-OG1 2.84Å; S182-G349 WeakPolarHBondContact O-CA 3.35Å
183M98.8Very high98.3Very high0 Ų014.8 Ų14.80%08%0.075CC..Iπ-helixtrans-88-63.7171.6-61.9174.3-7600110.8L170 V176 D178 G181 I185 T187 F188 T296 A353 L397 T400L170-M183 HydrophobicContact CD2-CB 4.12Å; V176-M183 HydrophobicContact CG1-CE 3.37Å; V176-M183 HydrophobicContact CG1-SD 4.4Å; D178-M183 HydrophobicContact CB-CE 3.78Å; D178-M183 VanDerWaalsContact OD2-CA 3.31Å; D178-M183 WeakPolarHBondContact OD2-CA 3.46Å; D178-M183 VanDerWaalsContact OD2-CB 3.23Å; D178-M183 WeakPolarHBondContact OD2-CB 3.45Å; D178-M183 PolarHBondContact OD2-N 3.47Å; G181-M183 PolarHBondContact O-N 3.43Å; M183-I185 VanDerWaalsContact C-N 3.29Å; M183-I185 PolarHBondContact O-N 2.97Å; M183-T187 WeakPolarHBondContact O-CB 3.46Å; M183-F188 PolarHBondContact O-N 3.16Å; M183-T296 HydrophobicContact CE-CG2 3.82Å; M183-A353 HydrophobicContact CG-CB 3.37Å; M183-A353 HydrophobicContact SD-CB 3.83Å; M183-L397 HydrophobicContact CG-CB 4.46Å; M183-L397 HydrophobicContact CG-CD1 4.38Å; M183-L397 HydrophobicContact SD-CB 4.04Å; M183-T400 VanDerWaalsContact O-CG2 3.24Å; M183-T400 WeakPolarHBondContact O-CG2 3.19Å
184T98.8Very high98.4Very high5 Ų510 Ų103%0.0315%0.05CC..Iπ-helixtrans-63.9-31.5-167.353.50000113.5F163 L170 D178 G181 F188F163-T184 WeakPolarHBondContact CD2-O 3.26Å; F163-T184 WeakPolarHBondContact CE2-O 3.11Å; L170-T184 HydrophobicContact CB-CG2 4.39Å; L170-T184 HydrophobicContact CD2-CG2 3.77Å; D178-T184 PolarHBondContact OD2-N 3.41Å; D178-T184 PolarHBondContact OD2-OG1 2.94Å; G181-T184 WeakPolarHBondContact CA-OG1 3.48Å; T184-F188 WeakPolarHBondContact O-CB 3.07Å
185I98.9Very high98.4Very high3 Ų310.6 Ų10.62%0.0156%0.055CC..Iπ-helixtrans-104.4-63-177.5-55.4172000110.4F131 A135 I138 F163 G181 M183 G189 F236F131-I185 HydrophobicContact CB-CD1 3.66Å; F131-I185 HydrophobicContact CB-CG1 4.39Å; F131-I185 HydrophobicContact CD1-CD1 3.97Å; F131-I185 HydrophobicContact CD2-CD1 4.3Å; F131-I185 HydrophobicContact CG-CD1 3.75Å; A135-I185 HydrophobicContact CB-CG2 4.12Å; I138-I185 HydrophobicContact CD1-CG2 4.02Å; F163-I185 HydrophobicContact CE2-CG1 4Å; F163-I185 HydrophobicContact CZ-CG1 4.15Å; G181-I185 WeakPolarHBondContact O-CA 3.26Å; G181-I185 WeakPolarHBondContact O-CB 3.41Å; G181-I185 PolarHBondContact O-N 2.86Å; M183-I185 VanDerWaalsContact C-N 3.29Å; M183-I185 PolarHBondContact O-N 2.97Å; I185-G189 PolarHBondContact O-N 3.41Å; I185-F236 HydrophobicContact CD1-CE1 3.88Å; I185-F236 HydrophobicContact CD1-CZ 3.6Å; I185-F236 HydrophobicContact CG2-CZ 4.38Å
186H98.9Very high98.5Very high2 Ų210 Ų101%0.0095%0.049CC..Iπ-helixtrans-76.2-51.5-166.5-64.6-59.1000113I138 G181 A190 W233 V292 H345I138-H186 VanDerWaalsContact CD1-ND1 3.33Å; I138-H186 WeakPolarHBondContact CD1-ND1 3.36Å; G181-H186 PolarHBondContact O-CD2 2.92Å; G181-H186 PolarHBondContact O-N 2.79Å; H186-A190 WeakPolarHBondContact O-CB 3.49Å; H186-A190 PolarHBondContact O-N 3.3Å; H186-W233 AromaticContact CE1-CZ2 3.73Å; H186-W233 AromaticContact NE2-CZ2 3.86Å; H186-V292 HydrophobicContact CB-CG1 3.69Å; H186-H345 HydrophobicContact CB-CB 4.18Å; H186-H345 AromaticContact CE1-ND1 3.72Å; H186-H345 AromaticContact ND1-CE1 3.88Å; H186-H345 AromaticContact ND1-CG 3.97Å; H186-H345 AromaticContact ND1-ND1 3.06Å; H186-H345 PolarHBondContact ND1-ND1 2.78Å
187T98.9Very high98.5Very high0 Ų010 Ų100%05%0.049CC..Iπ-helixtrans-62.3-47.2174.7-60.70000109.9S182 M183 Y191 G349 V350 L397 T400 L401S182-T187 VanDerWaalsContact O-CB 3.31Å; S182-T187 WeakPolarHBondContact O-CB 3.32Å; S182-T187 PolarHBondContact O-N 3.47Å; S182-T187 PolarHBondContact O-OG1 2.83Å; M183-T187 WeakPolarHBondContact O-CB 3.46Å; T187-Y191 HydrophobicContact CG2-CD2 3.7Å; T187-Y191 HydrophobicContact CG2-CE2 3.93Å; T187-Y191 VanDerWaalsContact O-CD2 3.23Å; T187-Y191 WeakPolarHBondContact O-CD2 3.07Å; T187-Y191 PolarHBondContact O-N 2.74Å; T187-Y191 VanDerWaalsContact O-N 3.1Å; T187-G349 PolarHBondContact OG1-O 3.46Å; T187-V350 HydrophobicContact CG2-CG2 4.11Å; T187-V350 PolarHBondContact OG1-N 3.02Å; T187-L397 HydrophobicContact CG2-CD1 3.87Å; T187-T400 HydrophobicContact CG2-CG2 3.97Å; T187-L401 HydrophobicContact CG2-CD2 3.63Å; T187-L401 HydrophobicContact CG2-CG 4.08Å
188F98.9Very high98.5Very high0 Ų012 Ų120%06%0.056CC..Hα-helixtrans-56-60179.2-179.7-96000112.5A135 E159 L162 F163 N166 M183 T184 A190 Y191 F192 T400 F403 A404A135-F188 HydrophobicContact CB-CD1 4.26Å; E159-F188 HydrophobicContact CG-CE1 3.83Å; E159-F188 HydrophobicContact CG-CZ 4.38Å; L162-F188 HydrophobicContact CB-CE2 4.36Å; L162-F188 HydrophobicContact CB-CZ 3.96Å; F163-F188 HydrophobicContact CB-CD1 4.35Å; F163-F188 HydrophobicContact CB-CE1 3.75Å; F163-F188 HydrophobicContact CB-CZ 4.08Å; F163-F188 AromaticContact CD2-CD1 3.85Å; F163-F188 HydrophobicContact CD2-CD1 3.85Å; F163-F188 HydrophobicContact CD2-CE1 4.1Å; F163-F188 HydrophobicContact CG-CE1 4.45Å; N166-F188 HydrophobicContact CB-CD2 4.33Å; N166-F188 HydrophobicContact CB-CE2 4.33Å; M183-F188 PolarHBondContact O-N 3.16Å; T184-F188 WeakPolarHBondContact O-CB 3.07Å; F188-A190 PolarHBondContact O-N 2.94Å; F188-Y191 PolarHBondContact O-N 3.2Å; F188-F192 HydrophobicContact CZ-CD2 4.36Å; F188-F192 VanDerWaalsContact O-CB 3.24Å; F188-F192 WeakPolarHBondContact O-CB 3.28Å; F188-F192 PolarHBondContact O-N 3.36Å; F188-T400 HydrophobicContact CB-CG2 3.84Å; F188-F403 HydrophobicContact CE2-CB 4.13Å; F188-A404 HydrophobicContact CD2-CB 4.05Å; F188-A404 HydrophobicContact CE2-CB 4.47Å; F188-A404 WeakPolarHBondContact O-CB 3.33Å
189G98.9Very high98.5Very high0 Ų013.2 Ų13.20%06%0.064CC..Hα-helixtrans-63.5-40.5-176.400000112.3S139 I185 G193S139-G189 PolarHBondContact OG-O 2.96Å; I185-G189 PolarHBondContact O-N 3.41Å; G189-G193 PolarHBondContact O-N 3.2Å
190A98.9Very high98.7Very high0 Ų013.7 Ų13.70%06%0.064CC..Hα-helixtrans-62.2-51.2179.700000111.5I138 H186 F188 G193 L194 H345 G346I138-A190 HydrophobicContact CG2-CB 4.12Å; H186-A190 WeakPolarHBondContact O-CB 3.49Å; H186-A190 PolarHBondContact O-N 3.3Å; F188-A190 PolarHBondContact O-N 2.94Å; A190-G193 PolarHBondContact O-N 3.15Å; A190-L194 WeakPolarHBondContact O-CB 3.3Å; A190-L194 WeakPolarHBondContact O-CD1 3.25Å; A190-L194 WeakPolarHBondContact O-CG 3.23Å; A190-L194 PolarHBondContact O-N 2.98Å; A190-H345 HydrophobicContact CB-CB 3.89Å; A190-G346 VanDerWaalsContact CB-CA 3.47Å
191Y98.9Very high98.7Very high50 Ų5017.1 Ų17.120%0.1968%0.077CC..Hα-helixtrans-76.1-27.3-176.9-70.1-74.6000112.9T187 F188 L194 V195 H342 V350 L401T187-Y191 HydrophobicContact CG2-CD2 3.7Å; T187-Y191 HydrophobicContact CG2-CE2 3.93Å; T187-Y191 VanDerWaalsContact O-CD2 3.23Å; T187-Y191 WeakPolarHBondContact O-CD2 3.07Å; T187-Y191 PolarHBondContact O-N 2.74Å; T187-Y191 VanDerWaalsContact O-N 3.1Å; F188-Y191 PolarHBondContact O-N 3.2Å; Y191-L194 HydrophobicContact CD1-CD1 4.01Å; Y191-L194 HydrophobicContact CE1-CD1 4.24Å; Y191-V195 WeakPolarHBondContact O-CB 3.33Å; Y191-V195 VanDerWaalsContact O-CG2 3.31Å; Y191-V195 WeakPolarHBondContact O-CG2 3.31Å; Y191-V195 PolarHBondContact O-N 2.91Å; Y191-H342 AromaticContact CE1-CE1 3.84Å; Y191-H342 AromaticContact CE1-ND1 3.87Å; Y191-H342 AromaticContact CZ-CE1 3.87Å; Y191-H342 PolarHBondContact OH-CE1 2.94Å; Y191-H342 VanDerWaalsContact OH-CE1 3.31Å; Y191-V350 HydrophobicContact CE2-CG2 3.71Å; Y191-L401 HydrophobicContact CD1-CD2 4.41Å; Y191-L401 HydrophobicContact CD2-CD2 3.38Å; Y191-L401 HydrophobicContact CE2-CD2 3.72Å; Y191-L401 HydrophobicContact CG-CD2 3.78Å
192F98.9Very high98.6Very high0 Ų018.3 Ų18.30%08%0.081CC..Hα-helixtrans-60.5-54.6168.1-176.9-78.1000110S139 M155 E159 L162 F188 L194 V195 L196 A404 G407 G408S139-F192 WeakPolarHBondContact OG-CD1 3.49Å; M155-F192 HydrophobicContact CG-CE1 3.84Å; M155-F192 HydrophobicContact CG-CZ 4.48Å; E159-F192 HydrophobicContact CB-CE1 4Å; E159-F192 HydrophobicContact CB-CE2 4.08Å; E159-F192 HydrophobicContact CB-CZ 3.71Å; E159-F192 HydrophobicContact CG-CD1 4.09Å; E159-F192 HydrophobicContact CG-CD2 4.19Å; E159-F192 HydrophobicContact CG-CE1 3.98Å; E159-F192 HydrophobicContact CG-CE2 4.07Å; E159-F192 HydrophobicContact CG-CG 4.2Å; E159-F192 HydrophobicContact CG-CZ 3.97Å; E159-F192 WeakPolarHBondContact OE2-CE1 3.43Å; L162-F192 HydrophobicContact CD1-CE2 4.26Å; F188-F192 HydrophobicContact CZ-CD2 4.36Å; F188-F192 VanDerWaalsContact O-CB 3.24Å; F188-F192 WeakPolarHBondContact O-CB 3.28Å; F188-F192 PolarHBondContact O-N 3.36Å; F192-L194 PolarHBondContact O-N 3.14Å; F192-V195 PolarHBondContact O-N 3.1Å; F192-L196 HydrophobicContact CE1-CD2 4.3Å; F192-L196 WeakPolarHBondContact O-CB 3.44Å; F192-L196 PolarHBondContact O-N 2.65Å; F192-A404 WeakPolarHBondContact CA-O 3.43Å; F192-A404 HydrophobicContact CB-CB 4.31Å; F192-G407 WeakPolarHBondContact CE2-O 3.44Å; F192-G408 VanDerWaalsContact CD2-N 3.29Å; F192-G408 WeakPolarHBondContact O-CA 3.4Å
193G98.9Very high98.5Very high0 Ų022.8 Ų22.80%011%0.111CC..Hα-helixtrans-60.4-39.2178.300000113.9S139 A142 G189 A190 L196 S197S139-G193 PolarHBondContact OG-N 3.5Å; A142-G193 VanDerWaalsContact CB-O 3.3Å; A142-G193 WeakPolarHBondContact CB-O 3.43Å; G189-G193 PolarHBondContact O-N 3.2Å; A190-G193 PolarHBondContact O-N 3.15Å; G193-L196 WeakPolarHBondContact O-CB 3.48Å; G193-L196 PolarHBondContact O-N 3.01Å; G193-S197 VanDerWaalsContact O-CB 3.26Å; G193-S197 WeakPolarHBondContact O-CB 3.01Å; G193-S197 PolarHBondContact O-N 3.34Å
194L98.9Very high98.4Very high12 Ų1227.6 Ų27.66%0.06313%0.133CC..Hα-helixtrans-68.3-45.1178.9-70.8165.4000112.2A190 Y191 F192 L196 S197 R198 V335 D337 V341 H342A190-L194 WeakPolarHBondContact O-CB 3.3Å; A190-L194 WeakPolarHBondContact O-CD1 3.25Å; A190-L194 WeakPolarHBondContact O-CG 3.23Å; A190-L194 PolarHBondContact O-N 2.98Å; Y191-L194 HydrophobicContact CD1-CD1 4.01Å; Y191-L194 HydrophobicContact CE1-CD1 4.24Å; F192-L194 PolarHBondContact O-N 3.14Å; L194-L196 VanDerWaalsContact C-N 3.33Å; L194-S197 PolarHBondContact O-N 3.34Å; L194-R198 WeakPolarHBondContact O-CB 3.24Å; L194-R198 PolarHBondContact O-N 3.24Å; L194-V335 HydrophobicContact CB-CG1 4.32Å; L194-V335 HydrophobicContact CD2-CG1 3.66Å; L194-D337 HydrophobicContact CD2-CB 3.9Å; L194-D337 WeakPolarHBondContact CD2-OD2 3.39Å; L194-V341 HydrophobicContact CG-CG2 4.44Å; L194-H342 HydrophobicContact CD1-CB 3.67Å; L194-H342 VanDerWaalsContact CD1-ND1 3.34Å; L194-H342 WeakPolarHBondContact CD1-ND1 3.3Å; L194-H342 HydrophobicContact CD2-CB 4.04Å; L194-H342 HydrophobicContact CG-CB 4.44Å
195V98.9Very high98.3Very high40 Ų4027.5 Ų27.524%0.24213%0.133CC..Hα-helixtrans-66.8-40.1176.5177.10000110.2Y191 F192 R198 V199 S405Y191-V195 WeakPolarHBondContact O-CB 3.33Å; Y191-V195 VanDerWaalsContact O-CG2 3.31Å; Y191-V195 WeakPolarHBondContact O-CG2 3.31Å; Y191-V195 PolarHBondContact O-N 2.91Å; F192-V195 PolarHBondContact O-N 3.1Å; V195-R198 WeakPolarHBondContact O-CB 3.47Å; V195-R198 PolarHBondContact O-N 3.13Å; V195-V199 WeakPolarHBondContact O-CG2 3.48Å; V195-V199 PolarHBondContact O-N 3.31Å; V195-S405 WeakPolarHBondContact CG1-O 3.34Å
196L98.6Very high98.1Very high0 Ų033.1 Ų33.10%016%0.158CC..Hα-helixtrans-55.7-52.2172.4-178.575.3000111.5V143 M155 F192 G193 L194 R198 V199 L200 G408 L415V143-L196 HydrophobicContact CG1-CD2 3.72Å; V143-L196 HydrophobicContact CG1-CG 4.02Å; V143-L196 HydrophobicContact CG2-CD2 4.16Å; M155-L196 HydrophobicContact CG-CD2 3.84Å; M155-L196 HydrophobicContact SD-CD2 3.33Å; M155-L196 WeakPolarHBondContact SD-CD2 3.11Å; F192-L196 HydrophobicContact CE1-CD2 4.3Å; F192-L196 WeakPolarHBondContact O-CB 3.44Å; F192-L196 PolarHBondContact O-N 2.65Å; G193-L196 WeakPolarHBondContact O-CB 3.48Å; G193-L196 PolarHBondContact O-N 3.01Å; L194-L196 VanDerWaalsContact C-N 3.33Å; L196-R198 VanDerWaalsContact C-N 3.3Å; L196-R198 PolarHBondContact O-N 3.48Å; L196-V199 PolarHBondContact O-N 2.84Å; L196-L200 HydrophobicContact CD1-CD1 4.3Å; L196-L200 HydrophobicContact CG-CD1 4.1Å; L196-L200 WeakPolarHBondContact O-CB 3.31Å; L196-L200 WeakPolarHBondContact O-CG 3.36Å; L196-L200 PolarHBondContact O-N 3.47Å; L196-G408 WeakPolarHBondContact CA-O 3.36Å; L196-L415 HydrophobicContact CD1-CD1 4.12Å; L196-L415 HydrophobicContact CD1-CG 4.43Å; L196-L415 HydrophobicContact CD2-CD1 4.36Å
197S98.6Very high97.9Very high2 Ų238.6 Ų38.61%0.01418%0.182CC..Hα-helixtrans-59.6-40.1177.4178.40000112G193 L194 V199 L200 Y201 Q336G193-S197 VanDerWaalsContact O-CB 3.26Å; G193-S197 WeakPolarHBondContact O-CB 3.01Å; G193-S197 PolarHBondContact O-N 3.34Å; L194-S197 PolarHBondContact O-N 3.34Å; S197-V199 PolarHBondContact O-N 3.39Å; S197-L200 CarbonylContact O-C 3.52Å; S197-L200 VanDerWaalsContact O-C 3.27Å; S197-L200 PolarHBondContact O-N 3.19Å; S197-Y201 PolarHBondContact O-N 2.98Å; S197-Q336 PolarHBondContact OG-O 2.94Å
198R98.6Very high97.8Very high115 Ų11538.6 Ų38.643%0.43418%0.182SC..Hα-helixtrans-63.4-41.3176.7179.452.4-175.580.70.9112.6L194 V195 L196 L200 Y201 F333 K334 V335L194-R198 WeakPolarHBondContact O-CB 3.24Å; L194-R198 PolarHBondContact O-N 3.24Å; V195-R198 WeakPolarHBondContact O-CB 3.47Å; V195-R198 PolarHBondContact O-N 3.13Å; L196-R198 VanDerWaalsContact C-N 3.3Å; L196-R198 PolarHBondContact O-N 3.48Å; R198-L200 VanDerWaalsContact C-N 3.34Å; R198-Y201 WeakPolarHBondContact O-CB 3.5Å; R198-Y201 PolarHBondContact O-N 3.25Å; R198-F333 VanDerWaalsContact CD-O 3.23Å; R198-F333 WeakPolarHBondContact CD-O 3.46Å; R198-F333 PolarHBondContact NE-O 3.48Å; R198-K334 WeakPolarHBondContact CD-O 3.41Å; R198-V335 HydrophobicContact CB-CG2 4.1Å; R198-V335 HydrophobicContact CG-CG2 4.28Å
199V98.4Very high97.5Very high31 Ų3142.1 Ų42.119%0.18820%0.198CC..Hα-helixtrans-66-43.5174.71740000109.2V195 L196 S197 Y201 G412 L413 K416V195-V199 WeakPolarHBondContact O-CG2 3.48Å; V195-V199 PolarHBondContact O-N 3.31Å; L196-V199 PolarHBondContact O-N 2.84Å; S197-V199 PolarHBondContact O-N 3.39Å; V199-Y201 PolarHBondContact O-N 3.21Å; V199-G412 VanDerWaalsContact CG1-C 3.45Å; V199-L413 HydrophobicContact CG1-CD2 4.26Å; V199-K416 HydrophobicContact CG1-CD 4.35Å; V199-K416 WeakPolarHBondContact O-CE 3.16Å; V199-K416 PolarHBondContact O-NZ 3Å
200L97.6Very high97.3Very high27 Ų2748.2 Ų48.214%0.14123%0.226CC..THydrogen-bonded Turntrans-78.614.8178.4-65.3177.7000115V143 T147 L196 S197 R198 R202 L415 K416V143-L200 HydrophobicContact CG1-CD1 4.43Å; T147-L200 HydrophobicContact CG2-CD1 4.04Å; L196-L200 HydrophobicContact CD1-CD1 4.3Å; L196-L200 HydrophobicContact CG-CD1 4.1Å; L196-L200 WeakPolarHBondContact O-CB 3.31Å; L196-L200 WeakPolarHBondContact O-CG 3.36Å; L196-L200 PolarHBondContact O-N 3.47Å; S197-L200 CarbonylContact O-C 3.52Å; S197-L200 VanDerWaalsContact O-C 3.27Å; S197-L200 PolarHBondContact O-N 3.19Å; R198-L200 VanDerWaalsContact C-N 3.34Å; L200-R202 PolarHBondContact O-N 3.13Å; L200-L415 HydrophobicContact CD1-CB 4.06Å; L200-L415 HydrophobicContact CD1-CD1 4.01Å; L200-L415 HydrophobicContact CD2-CB 4Å; L200-K416 HydrophobicContact CD2-CG 3.73Å
201Y97.9Very high97.1Very high71 Ų7149.4 Ų49.428%0.27823%0.231SC..  trans-48.7128.7-176.7176.2-104.5000112.8S197 R198 V199 P203 K334 Q336S197-Y201 PolarHBondContact O-N 2.98Å; R198-Y201 WeakPolarHBondContact O-CB 3.5Å; R198-Y201 PolarHBondContact O-N 3.25Å; V199-Y201 PolarHBondContact O-N 3.21Å; Y201-P203 HydrophobicContact CE1-CB 4.14Å; Y201-K334 HydrophobicContact CD1-CB 4.36Å; Y201-K334 HydrophobicContact CD2-CB 3.69Å; Y201-K334 WeakPolarHBondContact CD2-O 3.45Å; Y201-K334 HydrophobicContact CE1-CB 4.4Å; Y201-K334 HydrophobicContact CE1-CD 4.33Å; Y201-K334 HydrophobicContact CE1-CG 4.5Å; Y201-K334 HydrophobicContact CE2-CB 3.75Å; Y201-K334 HydrophobicContact CE2-CD 3.95Å; Y201-K334 HydrophobicContact CE2-CG 4.34Å; Y201-K334 HydrophobicContact CG-CB 4.01Å; Y201-Q336 HydrophobicContact CD2-CG 4.04Å; Y201-Q336 HydrophobicContact CE2-CG 4.1Å
202R97Very high96.9Very high26 Ų2649.4 Ų49.410%0.09823%0.232CC..  trans-103.7107.1-178.3-71.4-179.3174.8-87.47.8110.8K146 L200 Q204 L205 Q336 P423 D425K146-R202 PolarHBondContact O-NE 3.46Å; K146-R202 PolarHBondContact O-NH2 3.39Å; L200-R202 PolarHBondContact O-N 3.13Å; R202-Q204 VanDerWaalsContact C-N 3.26Å; R202-Q204 PolarHBondContact O-N 3.13Å; R202-L205 HydrophobicContact CB-CB 3.97Å; R202-L205 HydrophobicContact CB-CD1 4.26Å; R202-L205 PolarHBondContact O-N 2.7Å; R202-Q336 PolarHBondContact O-NE2 2.88Å; R202-P423 VanDerWaalsContact CZ-O 3.22Å; R202-P423 PolarHBondContact NH1-O 3.12Å; R202-P423 PolarHBondContact NH2-O 2.67Å; R202-D425 WeakPolarHBondContact CD-OD1 3.28Å; R202-D425 WeakPolarHBondContact CG-OD1 3.4Å; R202-D425 IonicContact CZ-OD1 3.67Å; R202-D425 IonicContact NH1-OD1 2.68Å; R202-D425 PolarHBondContact NH1-OD1 3.04Å
203P96.3Very high96.7Very high94 Ų9450.6 Ų50.661%0.6125%0.245SC*.THydrogen-bonded Turntrans-70-20.5-173.427.9-34.7000113.7Y201Y201-P203 HydrophobicContact CE1-CB 4.14Å
204Q96.8Very high96.6Very high101 Ų10152.8 Ų52.847%0.47226%0.26SS..THydrogen-bonded Turntrans-115.623.7-177.9-56.4178.36.300112.1R202 E206 K207 D425R202-Q204 VanDerWaalsContact C-N 3.26Å; R202-Q204 PolarHBondContact O-N 3.13Å; Q204-E206 PolarHBondContact O-N 3.29Å; Q204-E206 VanDerWaalsContact O-N 3.1Å; Q204-K207 HydrophobicContact CB-CD 4.09Å; Q204-K207 HydrophobicContact CB-CG 4.48Å; Q204-K207 WeakPolarHBondContact O-CB 3.35Å; Q204-K207 WeakPolarHBondContact O-CG 3.46Å; Q204-K207 PolarHBondContact O-N 3.06Å; Q204-D425 WeakPolarHBondContact CA-OD2 3.44Å; Q204-D425 HydrophobicContact CB-CB 4.01Å; Q204-D425 WeakPolarHBondContact CB-OD2 3.2Å; Q204-D425 PolarHBondContact N-OD2 3.43Å
205L96.2Very high96.5Very high4 Ų455.4 Ų55.42%0.02128%0.276CS..G310 helixtrans-58.1-24.4-179.4-168.264.8000113.3K146 R202 K207 S208 K209 Q336 C428 Y429K146-L205 HydrophobicContact CD-CD1 4.4Å; K146-L205 HydrophobicContact CD-CD2 4.09Å; K146-L205 HydrophobicContact CG-CD1 4.21Å; R202-L205 HydrophobicContact CB-CB 3.97Å; R202-L205 HydrophobicContact CB-CD1 4.26Å; R202-L205 PolarHBondContact O-N 2.7Å; L205-K207 PolarHBondContact O-N 3.3Å; L205-S208 PolarHBondContact O-N 2.94Å; L205-S208 PolarHBondContact O-OG 2.86Å; L205-K209 PolarHBondContact O-N 3.28Å; L205-Q336 HydrophobicContact CD2-CB 4.33Å; L205-Q336 VanDerWaalsContact CD2-CD 3.41Å; L205-Q336 HydrophobicContact CD2-CG 4Å; L205-C428 HydrophobicContact CD1-CB 3.89Å; L205-Y429 HydrophobicContact CD1-CE2 3.8Å; L205-Y429 HydrophobicContact CD2-CE2 4.4Å; L205-Y429 HydrophobicContact CG-CE2 4.21Å
206E94.3Very high96.4Very high120 Ų12061.6 Ų61.656%0.56130%0.296SS*.G310 helixtrans-50.1-30.3171.8-67.2-61.6153.500112.7Q204 S208 K209Q204-E206 PolarHBondContact O-N 3.29Å; Q204-E206 VanDerWaalsContact O-N 3.1Å; E206-S208 PolarHBondContact O-N 2.86Å; E206-S208 VanDerWaalsContact O-N 3.14Å; E206-K209 VanDerWaalsContact CD-CD 3.48Å; E206-K209 PolarHBondContact O-N 2.97Å; E206-K209 WeakPolarHBondContact OE1-CD 3.32Å; E206-K209 IonicContact OE1-NZ 3.41Å; E206-K209 PolarHBondContact OE1-NZ 2.9Å; E206-K209 WeakPolarHBondContact OE2-CD 3.39Å; E206-K209 IonicContact OE2-NZ 3.47Å
207K96Very high96.3Very high117 Ų11767.6 Ų67.651%0.50932%0.324SS..G310 helixtrans-60.6-22.9176-67.9179174.4179.50114Q204 L205Q204-K207 HydrophobicContact CB-CD 4.09Å; Q204-K207 HydrophobicContact CB-CG 4.48Å; Q204-K207 WeakPolarHBondContact O-CB 3.35Å; Q204-K207 WeakPolarHBondContact O-CG 3.46Å; Q204-K207 PolarHBondContact O-N 3.06Å; L205-K207 PolarHBondContact O-N 3.3Å
208S96.4Very high96.3Very high0 Ų068 Ų680%033%0.327CS..G310 helixtrans-116.90.9178.257.60000113.8L205 E206 H210 R211 D425 C428L205-S208 PolarHBondContact O-N 2.94Å; L205-S208 PolarHBondContact O-OG 2.86Å; E206-S208 PolarHBondContact O-N 2.86Å; E206-S208 VanDerWaalsContact O-N 3.14Å; S208-H210 PolarHBondContact O-N 3.02Å; S208-R211 VanDerWaalsContact CB-NH2 3.32Å; S208-R211 WeakPolarHBondContact O-CB 3.04Å; S208-R211 PolarHBondContact O-N 3.24Å; S208-D425 WeakPolarHBondContact CB-O 3.29Å; S208-D425 PolarHBondContact OG-O 3.31Å; S208-C428 WeakPolarHBondContact CB-O 3.38Å; S208-C428 WeakPolarHBondContact OG-CB 3.37Å
209K92.7Very high96.3Very high75 Ų7563.5 Ų63.533%0.32631%0.311SS..G310 helixtrans-62.8-28.2-171.3-167.8172.5-164.3168.80113.7L205 E206 R211 Q212 E330L205-K209 PolarHBondContact O-N 3.28Å; E206-K209 VanDerWaalsContact CD-CD 3.48Å; E206-K209 PolarHBondContact O-N 2.97Å; E206-K209 WeakPolarHBondContact OE1-CD 3.32Å; E206-K209 IonicContact OE1-NZ 3.41Å; E206-K209 PolarHBondContact OE1-NZ 2.9Å; E206-K209 WeakPolarHBondContact OE2-CD 3.39Å; E206-K209 IonicContact OE2-NZ 3.47Å; K209-R211 PolarHBondContact O-N 2.72Å; K209-R211 VanDerWaalsContact O-N 3.11Å; K209-Q212 WeakPolarHBondContact O-CB 3.4Å; K209-Q212 PolarHBondContact O-N 2.96Å; K209-E330 IonicContact NZ-OE2 3.75Å
210H94.4Very high96.3Very high128 Ų12866 Ų6659%0.59332%0.323SS*.G310 helixtrans-59.1-20.4172.268.5-82.7000113.7Q83 S208Q83-H210 PolarHBondContact NE2-O 3.06Å; S208-H210 PolarHBondContact O-N 3.02Å
211R95.4Very high96.3Very high25 Ų2569.6 Ų69.69%0.09434%0.338CS..G310 helixtrans-94.4-12.6172.7-67.2-174.6-63-94.14.9113.6S208 K209 G213 S426 C428 E430S208-R211 VanDerWaalsContact CB-NH2 3.32Å; S208-R211 WeakPolarHBondContact O-CB 3.04Å; S208-R211 PolarHBondContact O-N 3.24Å; K209-R211 PolarHBondContact O-N 2.72Å; K209-R211 VanDerWaalsContact O-N 3.11Å; R211-G213 PolarHBondContact O-N 2.92Å; R211-S426 PolarHBondContact NH2-O 3.34Å; R211-C428 PolarHBondContact NE-O 3.17Å; R211-C428 VanDerWaalsContact NE-O 3.16Å; R211-C428 PolarHBondContact NH2-O 2.94Å; R211-E430 WeakPolarHBondContact CD-OE2 3.15Å; R211-E430 IonicContact NE-OE2 3.75Å
212Q94.9Very high96.3Very high50 Ų5066.2 Ų66.223%0.23433%0.325CS..SBendtrans-82.561.1176.4-166.4-174.4-7.500110.4L82 K209 Y429L82-Q212 HydrophobicContact CD2-CG 4.37Å; K209-Q212 WeakPolarHBondContact O-CB 3.4Å; K209-Q212 PolarHBondContact O-N 2.96Å; Q212-Y429 HydrophobicContact CB-CD1 4.44Å; Q212-Y429 HydrophobicContact CB-CD2 3.85Å; Q212-Y429 HydrophobicContact CB-CE1 4.35Å; Q212-Y429 HydrophobicContact CB-CE2 3.74Å; Q212-Y429 HydrophobicContact CB-CG 4.2Å; Q212-Y429 VanDerWaalsContact CD-OH 3.26Å; Q212-Y429 HydrophobicContact CG-CD1 4.31Å; Q212-Y429 HydrophobicContact CG-CD2 4.37Å; Q212-Y429 HydrophobicContact CG-CE1 3.85Å; Q212-Y429 HydrophobicContact CG-CE2 3.91Å; Q212-Y429 PolarHBondContact NE2-OH 3.12Å; Q212-Y429 PolarHBondContact OE1-OH 3.39Å
213G93.1Very high96.4Very high25 Ų2566.9 Ų66.926%0.25833%0.33SS..SBendtrans-161.1179.2-18000000110.8Q83 R211Q83-G213 WeakPolarHBondContact CG-O 3.32Å; Q83-G213 PolarHBondContact N-O 3.09Å; R211-G213 PolarHBondContact O-N 2.92Å
214S96.6Very high96.5Very high46 Ų4665.3 Ų65.332%0.32232%0.315SS..  trans-110.1165.1-179.162.70000112.9F81 D219F81-S214 WeakPolarHBondContact O-CA 3.17Å; F81-S214 WeakPolarHBondContact O-CB 3.31Å; S214-D219 VanDerWaalsContact CB-CG 3.44Å; S214-D219 WeakPolarHBondContact CB-OD1 3.43Å; S214-D219 VanDerWaalsContact CB-OD2 3.26Å; S214-D219 WeakPolarHBondContact CB-OD2 3.38Å; S214-D219 VanDerWaalsContact OG-CG 3.29Å; S214-D219 PolarHBondContact OG-OD1 3.01Å; S214-D219 PolarHBondContact OG-OD2 2.91Å
215V97Very high96.6Very high67 Ų6760.5 Ų60.541%0.40629%0.293SS..  trans-123.9163.3163.1-690000108.2Q83 H217 S218 D219Q83-V215 HydrophobicContact CB-CB 4.44Å; Q83-V215 HydrophobicContact CB-CG1 3.93Å; Q83-V215 HydrophobicContact CB-CG2 3.96Å; V215-H217 VanDerWaalsContact C-N 3.28Å; V215-H217 PolarHBondContact O-N 3.07Å; V215-H217 VanDerWaalsContact O-N 3.09Å; V215-S218 PolarHBondContact N-OG 3.31Å; V215-S218 PolarHBondContact O-N 3.42Å; V215-S218 PolarHBondContact O-OG 3.49Å; V215-D219 PolarHBondContact O-N 3.07Å; V215-D219 VanDerWaalsContact O-N 3.07Å
216Y97.7Very high96.8Very high169 Ų16960.6 Ų60.666%0.66329%0.294SS*.Hα-helixtrans-47.9-46.9-173.7-175.5-101.4000114.1D219 L220Y216-D219 PolarHBondContact O-N 3.07Å; Y216-L220 HydrophobicContact CD1-CD1 3.95Å; Y216-L220 HydrophobicContact CE1-CD1 3.45Å; Y216-L220 VanDerWaalsContact CE1-CD1 3.45Å; Y216-L220 HydrophobicContact CE1-CG 4.22Å; Y216-L220 WeakPolarHBondContact O-CG 3.34Å; Y216-L220 PolarHBondContact O-N 3.36Å; Y216-L220 VanDerWaalsContact O-N 3.16Å
217H97.1Very high97Very high127 Ų12759 Ų5959%0.58829%0.288SS*.Hα-helixtrans-72.8-33.2-179.3-61-58.9000113.5V215 D219 L220 F221V215-H217 VanDerWaalsContact C-N 3.28Å; V215-H217 PolarHBondContact O-N 3.07Å; V215-H217 VanDerWaalsContact O-N 3.09Å; H217-D219 VanDerWaalsContact C-N 3.3Å; H217-D219 PolarHBondContact O-N 3.46Å; H217-L220 PolarHBondContact O-N 3.29Å; H217-F221 WeakPolarHBondContact O-CD2 3.23Å; H217-F221 PolarHBondContact O-N 3.49Å
218S98Very high97.1Very high10 Ų1056.7 Ų56.77%0.0728%0.278CS..Hα-helixtrans-68.3-34.3177.270.60000111V80 F81 V215 F221 A222V80-S218 WeakPolarHBondContact O-CB 3.41Å; F81-S218 WeakPolarHBondContact O-CB 3.39Å; F81-S218 PolarHBondContact O-OG 2.9Å; V215-S218 PolarHBondContact N-OG 3.31Å; V215-S218 PolarHBondContact O-N 3.42Å; V215-S218 PolarHBondContact O-OG 3.49Å; S218-F221 PolarHBondContact O-N 3.25Å; S218-A222 WeakPolarHBondContact O-CB 3.31Å; S218-A222 PolarHBondContact O-N 2.67Å
219D98.5Very high97.2Very high20 Ų2056.8 Ų56.811%0.10728%0.278CS..Hα-helixtrans-68.7-36.1172.7-79.6-32.6000113.5S214 V215 Y216 H217 A222 M223 M280 Q284S214-D219 VanDerWaalsContact CB-CG 3.44Å; S214-D219 WeakPolarHBondContact CB-OD1 3.43Å; S214-D219 VanDerWaalsContact CB-OD2 3.26Å; S214-D219 WeakPolarHBondContact CB-OD2 3.38Å; S214-D219 VanDerWaalsContact OG-CG 3.29Å; S214-D219 PolarHBondContact OG-OD1 3.01Å; S214-D219 PolarHBondContact OG-OD2 2.91Å; V215-D219 PolarHBondContact O-N 3.07Å; V215-D219 VanDerWaalsContact O-N 3.07Å; Y216-D219 PolarHBondContact O-N 3.07Å; H217-D219 VanDerWaalsContact C-N 3.3Å; H217-D219 PolarHBondContact O-N 3.46Å; D219-A222 PolarHBondContact O-N 2.89Å; D219-M223 WeakPolarHBondContact O-CG 3.27Å; D219-M223 PolarHBondContact O-N 2.67Å; D219-M280 HydrophobicContact CB-CB 4.36Å; D219-M280 HydrophobicContact CB-CG 4.42Å; D219-Q284 VanDerWaalsContact CA-NE2 3.34Å; D219-Q284 PolarHBondContact O-NE2 3.39Å; D219-Q284 VanDerWaalsContact O-NE2 3.13Å; D219-Q284 PolarHBondContact OD1-NE2 3.32Å
220L98.2Very high97.5Very high84 Ų8456.2 Ų56.244%0.4427%0.274SS..Hα-helixtrans-64.4-40.7172.2-70.9178.1000111.6Y216 H217 M223 I224Y216-L220 HydrophobicContact CD1-CD1 3.95Å; Y216-L220 HydrophobicContact CE1-CD1 3.45Å; Y216-L220 VanDerWaalsContact CE1-CD1 3.45Å; Y216-L220 HydrophobicContact CE1-CG 4.22Å; Y216-L220 WeakPolarHBondContact O-CG 3.34Å; Y216-L220 PolarHBondContact O-N 3.36Å; Y216-L220 VanDerWaalsContact O-N 3.16Å; H217-L220 PolarHBondContact O-N 3.29Å; L220-M223 PolarHBondContact O-N 3.3Å; L220-I224 PolarHBondContact O-N 2.88Å
221F98Very high97.7Very high103 Ų10353.8 Ų53.845%0.45227%0.265SS..Hα-helixtrans-64.9-41.4173.2-77.5-61.8000111.8F77 V80 H217 S218 M223 I224F77-F221 HydrophobicContact CD1-CB 4.29Å; F77-F221 HydrophobicContact CD1-CD1 4.25Å; F77-F221 AromaticContact CE1-CD1 3.98Å; F77-F221 HydrophobicContact CE1-CD1 3.98Å; V80-F221 HydrophobicContact CB-CB 4.44Å; V80-F221 HydrophobicContact CG1-CB 3.9Å; H217-F221 WeakPolarHBondContact O-CD2 3.23Å; H217-F221 PolarHBondContact O-N 3.49Å; S218-F221 PolarHBondContact O-N 3.25Å; F221-M223 VanDerWaalsContact C-N 3.27Å; F221-M223 PolarHBondContact O-N 3.36Å; F221-I224 HydrophobicContact CD1-CD1 3.91Å; F221-I224 VanDerWaalsContact O-CB 3.28Å; F221-I224 WeakPolarHBondContact O-CB 3.49Å; F221-I224 PolarHBondContact O-N 2.89Å
222A98.6Very high97.9Very high0 Ų054.9 Ų54.90%027%0.27CS..Hα-helixtrans-60.1-37175.800000113.1F77 F81 S218 D219 I224 G225 T226 Q284F77-A222 VanDerWaalsContact O-CA 3.28Å; F77-A222 WeakPolarHBondContact O-CA 3.43Å; F81-A222 HydrophobicContact CB-CB 3.83Å; S218-A222 WeakPolarHBondContact O-CB 3.31Å; S218-A222 PolarHBondContact O-N 2.67Å; D219-A222 PolarHBondContact O-N 2.89Å; A222-I224 PolarHBondContact O-N 3.33Å; A222-G225 WeakPolarHBondContact O-CA 3.39Å; A222-G225 PolarHBondContact O-N 3.34Å; A222-T226 PolarHBondContact O-N 3.47Å; A222-T226 PolarHBondContact O-OG1 3.02Å; A222-Q284 HydrophobicContact CB-CG 4.31Å
223M98.6Very high98.1Very high40 Ų4052.6 Ų52.620%0.19726%0.26CS..Hα-helixtrans-62.6-26.8174.4-78.1-58.5-55.900114D219 L220 F221 G225 T226 I227 M280 I283 Q284D219-M223 WeakPolarHBondContact O-CG 3.27Å; D219-M223 PolarHBondContact O-N 2.67Å; L220-M223 PolarHBondContact O-N 3.3Å; F221-M223 VanDerWaalsContact C-N 3.27Å; F221-M223 PolarHBondContact O-N 3.36Å; M223-G225 VanDerWaalsContact C-N 3.3Å; M223-T226 HydrophobicContact CE-CG2 4.13Å; M223-T226 PolarHBondContact O-N 2.98Å; M223-T226 HydrophobicContact SD-CG2 4.31Å; M223-I227 HydrophobicContact CE-CD1 4.44Å; M223-I227 HydrophobicContact CE-CG1 4.28Å; M223-I227 WeakPolarHBondContact O-CB 3.37Å; M223-I227 VanDerWaalsContact O-CG1 3.28Å; M223-I227 WeakPolarHBondContact O-CG1 3.33Å; M223-I227 PolarHBondContact O-N 3.15Å; M223-M280 HydrophobicContact CG-CE 3.28Å; M223-M280 HydrophobicContact SD-CE 3.59Å; M223-M280 VanDerWaalsContact SD-CE 3.59Å; M223-I283 HydrophobicContact CE-CG2 4.43Å; M223-I283 HydrophobicContact SD-CG2 4.27Å; M223-Q284 HydrophobicContact CG-CG 4.05Å; M223-Q284 HydrophobicContact SD-CB 4.33Å; M223-Q284 HydrophobicContact SD-CG 3.47Å; M223-Q284 WeakPolarHBondContact SD-CG 3.36Å
224I98.8Very high98.4Very high61 Ų6152.4 Ų52.431%0.31325%0.254SS..Hα-helixtrans-59.9-47.6171.4-59.8176.1000109V73 F77 L220 F221 A222 I227 F228V73-I224 HydrophobicContact CG1-CG2 4.19Å; F77-I224 HydrophobicContact CB-CB 4.31Å; F77-I224 HydrophobicContact CD1-CB 4.42Å; F77-I224 HydrophobicContact CD1-CD1 4.41Å; F77-I224 HydrophobicContact CG-CB 4.41Å; F77-I224 HydrophobicContact CG-CG2 4.37Å; L220-I224 PolarHBondContact O-N 2.88Å; F221-I224 HydrophobicContact CD1-CD1 3.91Å; F221-I224 VanDerWaalsContact O-CB 3.28Å; F221-I224 WeakPolarHBondContact O-CB 3.49Å; F221-I224 PolarHBondContact O-N 2.89Å; A222-I224 PolarHBondContact O-N 3.33Å; I224-I227 PolarHBondContact O-N 3.48Å; I224-F228 HydrophobicContact CG2-CD2 4.04Å; I224-F228 HydrophobicContact CG2-CE2 4.13Å; I224-F228 WeakPolarHBondContact O-CD2 3.49Å; I224-F228 PolarHBondContact O-N 3.41Å
225G98.8Very high98.5Very high0 Ų051.4 Ų51.40%025%0.247CC..Hα-helixtrans-59.2-49.3176.300000112.3G74 A222 M223 I227 F228 L229G74-G225 WeakPolarHBondContact CA-O 3.27Å; G74-G225 CarbonylContact O-C 3.58Å; G74-G225 WeakPolarHBondContact O-CA 3.41Å; A222-G225 WeakPolarHBondContact O-CA 3.39Å; A222-G225 PolarHBondContact O-N 3.34Å; M223-G225 VanDerWaalsContact C-N 3.3Å; G225-I227 VanDerWaalsContact C-N 3.34Å; G225-I227 PolarHBondContact O-N 2.89Å; G225-F228 PolarHBondContact O-N 3.45Å; G225-L229 WeakPolarHBondContact O-CB 3.42Å; G225-L229 VanDerWaalsContact O-CG 3.28Å; G225-L229 WeakPolarHBondContact O-CG 3.24Å; G225-L229 PolarHBondContact O-N 2.81Å
226T98.9Very high98.5Very high6 Ų648.4 Ų48.44%0.03723%0.228CC..Hα-helixtrans-54.1-48.1176-58.10000112.2L78 A222 M223 L229 W230 Q284 L288L78-T226 WeakPolarHBondContact CD1-OG1 3.17Å; A222-T226 PolarHBondContact O-N 3.47Å; A222-T226 PolarHBondContact O-OG1 3.02Å; M223-T226 HydrophobicContact CE-CG2 4.13Å; M223-T226 PolarHBondContact O-N 2.98Å; M223-T226 HydrophobicContact SD-CG2 4.31Å; T226-L229 PolarHBondContact O-N 2.99Å; T226-W230 VanDerWaalsContact O-CB 3.27Å; T226-W230 WeakPolarHBondContact O-CB 3.18Å; T226-W230 PolarHBondContact O-N 3.1Å; T226-Q284 WeakPolarHBondContact CG2-O 3.45Å; T226-Q284 WeakPolarHBondContact OG1-CA 3.39Å; T226-Q284 WeakPolarHBondContact OG1-CB 3.42Å; T226-Q284 PolarHBondContact OG1-O 3.36Å; T226-L288 HydrophobicContact CG2-CD1 4.35Å; T226-L288 HydrophobicContact CG2-CD2 4.13Å; T226-L288 HydrophobicContact CG2-CG 4.26Å
227I98.8Very high98.6Very high86 Ų8640.4 Ų40.444%0.44120%0.197SC..Hα-helixtrans-66.3-44.4-177.1-69.6166.7000110.7M223 I224 G225 L229 W230 I231M223-I227 HydrophobicContact CE-CD1 4.44Å; M223-I227 HydrophobicContact CE-CG1 4.28Å; M223-I227 WeakPolarHBondContact O-CB 3.37Å; M223-I227 VanDerWaalsContact O-CG1 3.28Å; M223-I227 WeakPolarHBondContact O-CG1 3.33Å; M223-I227 PolarHBondContact O-N 3.15Å; I224-I227 PolarHBondContact O-N 3.48Å; G225-I227 VanDerWaalsContact C-N 3.34Å; G225-I227 PolarHBondContact O-N 2.89Å; I227-L229 VanDerWaalsContact C-N 3.33Å; I227-L229 PolarHBondContact O-N 3.44Å; I227-W230 PolarHBondContact O-N 2.86Å; I227-I231 HydrophobicContact CG2-CG2 4.17Å; I227-I231 WeakPolarHBondContact O-CG1 3.12Å; I227-I231 WeakPolarHBondContact O-CG2 3.38Å; I227-I231 PolarHBondContact O-N 3.36Å
228F98.8Very high98.7Very high68 Ų6834.6 Ų34.630%0.29817%0.171SC..Hα-helixtrans-61.4-41.6177-91.4-104.3000112A69 V73 I224 G225 F232A69-F228 HydrophobicContact CB-CD1 4.2Å; V73-F228 HydrophobicContact CB-CD1 3.99Å; V73-F228 HydrophobicContact CB-CE1 4.38Å; V73-F228 HydrophobicContact CB-CG 4.23Å; V73-F228 HydrophobicContact CG1-CB 4.31Å; V73-F228 HydrophobicContact CG1-CD1 3.87Å; V73-F228 HydrophobicContact CG1-CD2 3.89Å; V73-F228 HydrophobicContact CG1-CE1 4.12Å; V73-F228 HydrophobicContact CG1-CE2 4.13Å; V73-F228 HydrophobicContact CG1-CG 3.74Å; V73-F228 HydrophobicContact CG1-CZ 4.25Å; I224-F228 HydrophobicContact CG2-CD2 4.04Å; I224-F228 HydrophobicContact CG2-CE2 4.13Å; I224-F228 WeakPolarHBondContact O-CD2 3.49Å; I224-F228 PolarHBondContact O-N 3.41Å; G225-F228 PolarHBondContact O-N 3.45Å; F228-F232 HydrophobicContact CD1-CD2 4.07Å; F228-F232 AromaticContact CD1-CE2 3.61Å; F228-F232 HydrophobicContact CD1-CE2 3.61Å; F228-F232 AromaticContact CE1-CE2 3.92Å; F228-F232 HydrophobicContact CE1-CE2 3.92Å; F228-F232 WeakPolarHBondContact O-CB 3.1Å; F228-F232 WeakPolarHBondContact O-CD2 3.38Å; F228-F232 PolarHBondContact O-N 2.9Å
229L98.9Very high98.6Very high2 Ų234.1 Ų34.11%0.0117%0.168CC..Hα-helixtrans-61.6-48.7172.9-68.5168.5000110.9M70 F75 L78 G225 T226 I227 W233 L288M70-L229 HydrophobicContact CB-CD2 3.87Å; M70-L229 HydrophobicContact CE-CD2 3.83Å; M70-L229 HydrophobicContact CG-CD2 4.18Å; F75-L229 HydrophobicContact CD2-CD2 4.07Å; F75-L229 HydrophobicContact CE2-CD2 4.13Å; L78-L229 HydrophobicContact CB-CD1 4.28Å; L78-L229 HydrophobicContact CD2-CD1 3.66Å; G225-L229 WeakPolarHBondContact O-CB 3.42Å; G225-L229 VanDerWaalsContact O-CG 3.28Å; G225-L229 WeakPolarHBondContact O-CG 3.24Å; G225-L229 PolarHBondContact O-N 2.81Å; T226-L229 PolarHBondContact O-N 2.99Å; I227-L229 VanDerWaalsContact C-N 3.33Å; I227-L229 PolarHBondContact O-N 3.44Å; L229-W233 HydrophobicContact CB-CE3 4.02Å; L229-W233 HydrophobicContact CB-CZ3 3.84Å; L229-W233 WeakPolarHBondContact O-CB 3.22Å; L229-W233 PolarHBondContact O-N 3.07Å; L229-L288 HydrophobicContact CB-CD1 4.11Å; L229-L288 HydrophobicContact CB-CD2 3.97Å; L229-L288 HydrophobicContact CD1-CD1 3.76Å
230W98.9Very high98.5Very high63 Ų6335.5 Ų35.524%0.23918%0.175CC..Hα-helixtrans-63-47.4-175.3-165.2100.3000112.5T226 I227 L258 T262 L288T226-W230 VanDerWaalsContact O-CB 3.27Å; T226-W230 WeakPolarHBondContact O-CB 3.18Å; T226-W230 PolarHBondContact O-N 3.1Å; I227-W230 PolarHBondContact O-N 2.86Å; W230-L258 HydrophobicContact CG-CD2 4.45Å; W230-L258 HydrophobicContact CZ2-CB 3.94Å; W230-L258 WeakPolarHBondContact O-CD1 3.31Å; W230-T262 PolarHBondContact NE1-OG1 3.29Å; W230-L288 HydrophobicContact CB-CD2 3.72Å; W230-L288 HydrophobicContact CG-CD2 4.28Å
231I98.8Very high98.4Very high78 Ų7831.7 Ų31.740%0.416%0.155SC..Hα-helixtrans-73.2-29.6-175.268.3-176000112.8I227I227-I231 HydrophobicContact CG2-CG2 4.17Å; I227-I231 WeakPolarHBondContact O-CG1 3.12Å; I227-I231 WeakPolarHBondContact O-CG2 3.38Å; I227-I231 PolarHBondContact O-N 3.36Å
232F98.9Very high98.1Very high47 Ų4728.9 Ų28.921%0.20615%0.15CC..Hα-helixtrans-98.4-8.1-176.7-67.8-39000114D66 A69 M70 F228 P234 S235 F236D66-F232 HydrophobicContact CB-CB 3.96Å; D66-F232 HydrophobicContact CB-CD1 3.76Å; D66-F232 HydrophobicContact CB-CE1 4.43Å; D66-F232 HydrophobicContact CB-CG 3.87Å; D66-F232 VanDerWaalsContact CG-CD1 3.45Å; D66-F232 WeakPolarHBondContact OD1-CD1 3.45Å; D66-F232 VanDerWaalsContact OD1-CE1 3.31Å; D66-F232 WeakPolarHBondContact OD1-CE1 3.26Å; A69-F232 HydrophobicContact CB-CD2 3.95Å; A69-F232 HydrophobicContact CB-CE2 3.8Å; M70-F232 HydrophobicContact CG-CB 3.61Å; M70-F232 HydrophobicContact CG-CD2 4.48Å; M70-F232 HydrophobicContact SD-CB 3.64Å; F228-F232 HydrophobicContact CD1-CD2 4.07Å; F228-F232 AromaticContact CD1-CE2 3.61Å; F228-F232 HydrophobicContact CD1-CE2 3.61Å; F228-F232 AromaticContact CE1-CE2 3.92Å; F228-F232 HydrophobicContact CE1-CE2 3.92Å; F228-F232 WeakPolarHBondContact O-CB 3.1Å; F228-F232 WeakPolarHBondContact O-CD2 3.38Å; F228-F232 PolarHBondContact O-N 2.9Å; F232-P234 VanDerWaalsContact C-CD 3.43Å; F232-P234 VanDerWaalsContact C-N 3.33Å; F232-S235 WeakPolarHBondContact O-CA 3.41Å; F232-S235 WeakPolarHBondContact O-CB 3.43Å; F232-S235 PolarHBondContact O-N 3.04Å; F232-F236 PolarHBondContact O-N 3Å
233W98.9Very high97.8Very high3 Ų332.8 Ų32.81%0.01117%0.171CC..Hα-helixtrans-55.3-37.2176-135.2-58.9000114.9M70 H186 L229 S235 F236 N237 T254 L258 L288 V292M70-W233 HydrophobicContact CE-CB 4.36Å; M70-W233 HydrophobicContact CE-CD2 3.91Å; M70-W233 HydrophobicContact CE-CE3 4.03Å; M70-W233 HydrophobicContact CE-CG 4.08Å; H186-W233 AromaticContact CE1-CZ2 3.73Å; H186-W233 AromaticContact NE2-CZ2 3.86Å; L229-W233 HydrophobicContact CB-CE3 4.02Å; L229-W233 HydrophobicContact CB-CZ3 3.84Å; L229-W233 WeakPolarHBondContact O-CB 3.22Å; L229-W233 PolarHBondContact O-N 3.07Å; W233-S235 PolarHBondContact O-N 3.32Å; W233-F236 WeakPolarHBondContact O-CA 3.34Å; W233-F236 WeakPolarHBondContact O-CB 3.48Å; W233-F236 PolarHBondContact O-N 3.47Å; W233-F236 VanDerWaalsContact O-N 3.09Å; W233-N237 PolarHBondContact O-N 3.21Å; W233-T254 HydrophobicContact CB-CG2 4.06Å; W233-T254 HydrophobicContact CG-CG2 4.33Å; W233-L258 HydrophobicContact CB-CD1 3.55Å; W233-L258 HydrophobicContact CG-CD1 4.22Å; W233-L288 HydrophobicContact CE3-CB 4.34Å; W233-L288 HydrophobicContact CE3-CD2 4.06Å; W233-L288 HydrophobicContact CH2-CB 3.99Å; W233-L288 HydrophobicContact CZ3-CB 3.54Å; W233-L288 HydrophobicContact CZ3-CD1 4.06Å; W233-L288 HydrophobicContact CZ3-CD2 3.8Å; W233-L288 HydrophobicContact CZ3-CG 3.99Å; W233-V292 HydrophobicContact CH2-CG2 3.95Å; W233-V292 HydrophobicContact CZ2-CG2 3.49Å; W233-V292 VanDerWaalsContact CZ2-CG2 3.49Å
234P98.9Very high97.6Very high21 Ų2133.2 Ų33.214%0.13619%0.185CC..Hα-helixtrans-57.5-38173.6-27.537.1000112.9F232 S238 A251 T254F232-P234 VanDerWaalsContact C-CD 3.43Å; F232-P234 VanDerWaalsContact C-N 3.33Å; P234-S238 VanDerWaalsContact O-CB 3.27Å; P234-S238 WeakPolarHBondContact O-CB 3.25Å; P234-S238 PolarHBondContact O-N 3.29Å; P234-S238 PolarHBondContact O-OG 3.38Å; P234-A251 HydrophobicContact CB-CB 4.12Å; P234-T254 HydrophobicContact CG-CG2 4.24Å
235S98.8Very high97.4Very high24 Ų2433.9 Ų33.917%0.16820%0.2CC..Hα-helixtrans-68.4-43.4171.9-62.40000110.9D66 F232 W233 N237 S238 A239D66-S235 WeakPolarHBondContact OD2-CB 3.37Å; D66-S235 PolarHBondContact OD2-OG 2.95Å; F232-S235 WeakPolarHBondContact O-CA 3.41Å; F232-S235 WeakPolarHBondContact O-CB 3.43Å; F232-S235 PolarHBondContact O-N 3.04Å; W233-S235 PolarHBondContact O-N 3.32Å; S235-N237 PolarHBondContact O-N 3.07Å; S235-S238 PolarHBondContact O-N 3.47Å; S235-S238 PolarHBondContact O-OG 2.88Å; S235-A239 WeakPolarHBondContact O-CA 3.4Å; S235-A239 VanDerWaalsContact O-CB 3.29Å; S235-A239 WeakPolarHBondContact O-CB 3.29Å; S235-A239 PolarHBondContact O-N 3.13Å
236F98.8Very high97.1Very high5 Ų534.1 Ų34.12%0.02220%0.203CC..Hα-helixtrans-53.7-54.1176-171.8-84.5000112.8V67 M70 F131 I185 F232 W233 S238V67-F236 HydrophobicContact CG1-CD2 3.96Å; V67-F236 HydrophobicContact CG1-CE2 4.22Å; V67-F236 HydrophobicContact CG2-CB 4.25Å; V67-F236 HydrophobicContact CG2-CD2 4.06Å; V67-F236 HydrophobicContact CG2-CG 4.5Å; M70-F236 HydrophobicContact CE-CB 3.88Å; M70-F236 HydrophobicContact CE-CD2 3.78Å; M70-F236 HydrophobicContact CE-CG 3.94Å; M70-F236 HydrophobicContact SD-CB 3.65Å; M70-F236 HydrophobicContact SD-CD2 3.91Å; M70-F236 HydrophobicContact SD-CG 4.15Å; F131-F236 AromaticContact CD1-CD2 3.97Å; F131-F236 HydrophobicContact CD1-CD2 3.97Å; F131-F236 HydrophobicContact CD1-CE1 4.24Å; F131-F236 AromaticContact CD1-CE2 3.43Å; F131-F236 HydrophobicContact CD1-CE2 3.43Å; F131-F236 VanDerWaalsContact CD1-CE2 3.43Å; F131-F236 AromaticContact CD1-CZ 3.59Å; F131-F236 HydrophobicContact CD1-CZ 3.59Å; F131-F236 HydrophobicContact CE1-CD1 4.07Å; F131-F236 AromaticContact CE1-CD2 3.59Å; F131-F236 HydrophobicContact CE1-CD2 3.59Å; F131-F236 HydrophobicContact CE1-CE1 4.03Å; F131-F236 AromaticContact CE1-CE2 3.54Å; F131-F236 HydrophobicContact CE1-CE2 3.54Å; F131-F236 AromaticContact CE1-CG 3.85Å; F131-F236 HydrophobicContact CE1-CG 3.85Å; F131-F236 AromaticContact CE1-CZ 3.77Å; F131-F236 HydrophobicContact CE1-CZ 3.77Å; F131-F236 WeakPolarHBondContact CZ-O 3.33Å; I185-F236 HydrophobicContact CD1-CE1 3.88Å; I185-F236 HydrophobicContact CD1-CZ 3.6Å; I185-F236 HydrophobicContact CG2-CZ 4.38Å; F232-F236 PolarHBondContact O-N 3Å; W233-F236 WeakPolarHBondContact O-CA 3.34Å; W233-F236 WeakPolarHBondContact O-CB 3.48Å; W233-F236 PolarHBondContact O-N 3.47Å; W233-F236 VanDerWaalsContact O-N 3.09Å; F236-S238 PolarHBondContact O-N 3.14Å
237N98.8Very high97.1Very high0 Ų035.6 Ų35.60%021%0.209CC..Hα-helixtrans-67.6-26.9-178.4-75.9-4.6000112.6G180 W233 S235 T250 T254 G291G180-N237 WeakPolarHBondContact CA-OD1 3.32Å; W233-N237 PolarHBondContact O-N 3.21Å; S235-N237 PolarHBondContact O-N 3.07Å; N237-T250 VanDerWaalsContact C-CG2 3.46Å; N237-T250 HydrophobicContact CB-CG2 3.9Å; N237-T250 VanDerWaalsContact O-CG2 3.22Å; N237-T250 WeakPolarHBondContact O-CG2 3.14Å; N237-T254 HydrophobicContact CB-CG2 4.36Å; N237-T254 WeakPolarHBondContact CB-OG1 3.09Å; N237-T254 VanDerWaalsContact ND2-CG2 3.35Å; N237-T254 WeakPolarHBondContact ND2-CG2 3.25Å; N237-T254 PolarHBondContact ND2-OG1 3.46Å; N237-G291 PolarHBondContact ND2-O 2.97Å
238S98.5Very high97Very high6 Ų637.3 Ų37.34%0.04222%0.215CC..Hα-helixtrans-98.8-11.6-173.869.50000114.8P234 S235 F236 L240 T241P234-S238 VanDerWaalsContact O-CB 3.27Å; P234-S238 WeakPolarHBondContact O-CB 3.25Å; P234-S238 PolarHBondContact O-N 3.29Å; P234-S238 PolarHBondContact O-OG 3.38Å; S235-S238 PolarHBondContact O-N 3.47Å; S235-S238 PolarHBondContact O-OG 2.88Å; F236-S238 PolarHBondContact O-N 3.14Å; S238-L240 VanDerWaalsContact C-N 3.28Å; S238-L240 PolarHBondContact O-N 3.23Å; S238-L240 VanDerWaalsContact O-N 3.12Å; S238-T241 PolarHBondContact O-N 3.36Å; S238-T241 VanDerWaalsContact O-N 3.08Å; S238-T241 PolarHBondContact O-OG1 3.37Å
239A97.6Very high97Very high0 Ų036.4 Ų36.40%021%0.21CC..THydrogen-bonded Turntrans-57.3-35-166.800000114.6R60 V67 I127 F131 S235R60-A239 PolarHBondContact NH1-O 2.91Å; V67-A239 HydrophobicContact CG2-CB 4.3Å; I127-A239 HydrophobicContact CD1-CB 4.41Å; I127-A239 HydrophobicContact CG2-CB 3.76Å; F131-A239 HydrophobicContact CZ-CB 4.03Å; S235-A239 WeakPolarHBondContact O-CA 3.4Å; S235-A239 VanDerWaalsContact O-CB 3.29Å; S235-A239 WeakPolarHBondContact O-CB 3.29Å; S235-A239 PolarHBondContact O-N 3.13Å
240L94.9Very high96.9Very high49 Ų4936.3 Ų36.326%0.25721%0.209SC..THydrogen-bonded Turntrans-109.45-179.6-65.2-178000114.2E124 I127 N128 F131 S238E124-L240 HydrophobicContact CB-CD2 4.35Å; E124-L240 HydrophobicContact CG-CD2 4.25Å; I127-L240 HydrophobicContact CB-CD2 4.15Å; I127-L240 HydrophobicContact CD1-CD2 4.33Å; I127-L240 HydrophobicContact CG2-CD1 4.23Å; I127-L240 HydrophobicContact CG2-CD2 3.87Å; I127-L240 HydrophobicContact CG2-CG 3.81Å; N128-L240 WeakPolarHBondContact OD1-CD1 3.48Å; F131-L240 HydrophobicContact CD2-CD1 3.85Å; F131-L240 HydrophobicContact CE2-CB 4.49Å; F131-L240 HydrophobicContact CE2-CD1 3.53Å; F131-L240 HydrophobicContact CE2-CG 3.82Å; S238-L240 VanDerWaalsContact C-N 3.28Å; S238-L240 PolarHBondContact O-N 3.23Å; S238-L240 VanDerWaalsContact O-N 3.12Å
241T95.9Very high96.9Very high3 Ų334.7 Ų34.72%0.01821%0.209CC..SBendtrans-69.4165.1173.462.20000111.4R60 A179 S238 L243 Q247 T250 E299R60-T241 PolarHBondContact NH1-O 3.49Å; A179-T241 HydrophobicContact CB-CG2 3.47Å; A179-T241 VanDerWaalsContact CB-CG2 3.47Å; S238-T241 PolarHBondContact O-N 3.36Å; S238-T241 VanDerWaalsContact O-N 3.08Å; S238-T241 PolarHBondContact O-OG1 3.37Å; T241-L243 PolarHBondContact O-N 3.48Å; T241-Q247 WeakPolarHBondContact OG1-CA 3.23Å; T241-Q247 WeakPolarHBondContact OG1-CB 3.41Å; T241-Q247 PolarHBondContact OG1-N 3.37Å; T241-T250 HydrophobicContact CG2-CG2 4.03Å; T241-E299 HydrophobicContact CG2-CB 3.91Å
242A93Very high96.9Very high44 Ų4434.2 Ų34.236%0.36421%0.207SC..PPolyproline II helixtrans-59.3129.6172.800000110.8Q247A242-Q247 PolarHBondContact O-N 3.5Å
243L92.5Very high96.9Very high83 Ų8332.2 Ų32.244%0.43520%0.199SC..THydrogen-bonded Turntrans-56.3146.2179.6-63.9177.5000111.4F59 T241F59-L243 HydrophobicContact CB-CD1 4.32Å; F59-L243 HydrophobicContact CB-CD2 4.3Å; T241-L243 PolarHBondContact O-N 3.48Å
244G93.3Very high96.9Very high48 Ų4832.1 Ų32.150%0.49520%0.198SC..THydrogen-bonded Turntrans89.7-121.5179.900000112.8G246 Q247 H248G244-G246 PolarHBondContact O-N 3.39Å; G244-Q247 PolarHBondContact O-N 3.05Å; G244-H248 WeakPolarHBondContact O-CB 3.33Å; G244-H248 PolarHBondContact O-N 2.78Å
245A94.1Very high96.9Very high75 Ų7536.8 Ų36.862%0.6221%0.214SC*.Hα-helixtrans-64.5-37.8-168.800000113.6R249A245-R249 VanDerWaalsContact O-CB 3.29Å; A245-R249 WeakPolarHBondContact O-CB 3.48Å; A245-R249 PolarHBondContact O-N 3Å; A245-R249 PolarHBondContact O-NH1 3.39Å
246G94.3Very high96.9Very high6 Ų640 Ų406%0.06222%0.223CC..Hα-helixtrans-63.1-53.3176.700000111.7G244 H248 R249 T250G244-G246 PolarHBondContact O-N 3.39Å; G246-H248 PolarHBondContact O-N 3.45Å; G246-R249 PolarHBondContact O-N 2.89Å; G246-T250 WeakPolarHBondContact O-CB 3.44Å; G246-T250 PolarHBondContact O-N 2.89Å; G246-T250 PolarHBondContact O-OG1 2.97Å
247Q97.3Very high96.9Very high36 Ų3639.8 Ų39.817%0.16822%0.222CC..Hα-helixtrans-57-46.6177.4-163.8176.331.900113.2T241 A242 G244 T250 A251T241-Q247 WeakPolarHBondContact OG1-CA 3.23Å; T241-Q247 WeakPolarHBondContact OG1-CB 3.41Å; T241-Q247 PolarHBondContact OG1-N 3.37Å; A242-Q247 PolarHBondContact O-N 3.5Å; G244-Q247 PolarHBondContact O-N 3.05Å; Q247-T250 WeakPolarHBondContact O-CB 3.45Å; Q247-T250 PolarHBondContact O-N 3.14Å; Q247-A251 PolarHBondContact O-N 2.8Å
248H97.8Very high97Very high123 Ų12339.8 Ų39.857%0.56922%0.222SC*.Hα-helixtrans-64.6-45.2179.5-174.2-165.7000112.3G244 G246 T250 A251 L252G244-H248 WeakPolarHBondContact O-CB 3.33Å; G244-H248 PolarHBondContact O-N 2.78Å; G246-H248 PolarHBondContact O-N 3.45Å; H248-T250 VanDerWaalsContact C-N 3.28Å; H248-T250 PolarHBondContact O-N 2.83Å; H248-A251 PolarHBondContact O-N 3.38Å; H248-L252 PolarHBondContact O-N 2.76Å
249R97.8Very high97Very high49 Ų4941 Ų4119%0.18523%0.233CC..Hα-helixtrans-60.2-40.8176.1177.5173.960.4-100.82.1111.7A245 G246 L252 N253 E299 M300A245-R249 VanDerWaalsContact O-CB 3.29Å; A245-R249 WeakPolarHBondContact O-CB 3.48Å; A245-R249 PolarHBondContact O-N 3Å; A245-R249 PolarHBondContact O-NH1 3.39Å; G246-R249 PolarHBondContact O-N 2.89Å; R249-L252 PolarHBondContact O-N 3.31Å; R249-N253 WeakPolarHBondContact O-CB 3.38Å; R249-N253 PolarHBondContact O-N 3.16Å; R249-N253 PolarHBondContact O-ND2 2.93Å; R249-E299 VanDerWaalsContact CZ-O 3.28Å; R249-E299 PolarHBondContact NE-O 3.1Å; R249-E299 PolarHBondContact NH2-O 2.75Å; R249-M300 WeakPolarHBondContact CD-O 3.37Å; R249-M300 PolarHBondContact NE-O 3.37Å
250T98.5Very high97Very high0 Ų041.5 Ų41.50%024%0.237CC..Hα-helixtrans-62.2-46.2179-54.50000112N237 T241 G246 Q247 H248 T254 S298 E299N237-T250 VanDerWaalsContact C-CG2 3.46Å; N237-T250 HydrophobicContact CB-CG2 3.9Å; N237-T250 VanDerWaalsContact O-CG2 3.22Å; N237-T250 WeakPolarHBondContact O-CG2 3.14Å; T241-T250 HydrophobicContact CG2-CG2 4.03Å; G246-T250 WeakPolarHBondContact O-CB 3.44Å; G246-T250 PolarHBondContact O-N 2.89Å; G246-T250 PolarHBondContact O-OG1 2.97Å; Q247-T250 WeakPolarHBondContact O-CB 3.45Å; Q247-T250 PolarHBondContact O-N 3.14Å; H248-T250 VanDerWaalsContact C-N 3.28Å; H248-T250 PolarHBondContact O-N 2.83Å; T250-T254 WeakPolarHBondContact O-CB 3.44Å; T250-T254 PolarHBondContact O-N 3.17Å; T250-T254 PolarHBondContact O-OG1 3.17Å; T250-S298 WeakPolarHBondContact CA-O 3.41Å; T250-S298 WeakPolarHBondContact CG2-OG 3.3Å; T250-E299 WeakPolarHBondContact OG1-CA 3.44Å; T250-E299 WeakPolarHBondContact OG1-CB 2.94Å
251A98.8Very high97.2Very high28 Ų2839.2 Ų39.223%0.23123%0.225CC..Hα-helixtrans-61.7-45.4175.600000111.7P234 Q247 H248 T254 Y255P234-A251 HydrophobicContact CB-CB 4.12Å; Q247-A251 PolarHBondContact O-N 2.8Å; H248-A251 PolarHBondContact O-N 3.38Å; A251-T254 PolarHBondContact O-N 3.3Å; A251-Y255 WeakPolarHBondContact O-CB 3.47Å; A251-Y255 PolarHBondContact O-N 3.08Å
252L98.6Very high97.4Very high69 Ų6940.4 Ų40.436%0.36123%0.232SC..Hα-helixtrans-63.1-46.6178.7-76.1173000112.9H248 R249 T254 Y255 Y256H248-L252 PolarHBondContact O-N 2.76Å; R249-L252 PolarHBondContact O-N 3.31Å; L252-T254 VanDerWaalsContact C-N 3.3Å; L252-T254 PolarHBondContact O-N 3.2Å; L252-Y255 PolarHBondContact O-N 2.89Å; L252-Y256 HydrophobicContact CD2-CE2 4.34Å; L252-Y256 WeakPolarHBondContact O-CD2 3.3Å; L252-Y256 PolarHBondContact O-N 3.31Å
253N98.8Very high97.6Very high5 Ų544 Ų443%0.02725%0.245CC..Hα-helixtrans-61-42.5177.5-76.7-26.4000110.9R249 S257 S298 A307R249-N253 WeakPolarHBondContact O-CB 3.38Å; R249-N253 PolarHBondContact O-N 3.16Å; R249-N253 PolarHBondContact O-ND2 2.93Å; N253-S257 VanDerWaalsContact O-CB 3.28Å; N253-S257 WeakPolarHBondContact O-CB 3.34Å; N253-S257 PolarHBondContact O-N 2.83Å; N253-S298 PolarHBondContact ND2-O 3.35Å; N253-A307 HydrophobicContact CB-CB 4.12Å; N253-A307 WeakPolarHBondContact O-CB 3.35Å
254T98.9Very high98Very high0 Ų040.1 Ų40.10%022%0.224CC..Hα-helixtrans-64.7-44.9177.5-55.30000111.9W233 P234 N237 T250 A251 L252 Y256 S257 L258W233-T254 HydrophobicContact CB-CG2 4.06Å; W233-T254 HydrophobicContact CG-CG2 4.33Å; P234-T254 HydrophobicContact CG-CG2 4.24Å; N237-T254 HydrophobicContact CB-CG2 4.36Å; N237-T254 WeakPolarHBondContact CB-OG1 3.09Å; N237-T254 VanDerWaalsContact ND2-CG2 3.35Å; N237-T254 WeakPolarHBondContact ND2-CG2 3.25Å; N237-T254 PolarHBondContact ND2-OG1 3.46Å; T250-T254 WeakPolarHBondContact O-CB 3.44Å; T250-T254 PolarHBondContact O-N 3.17Å; T250-T254 PolarHBondContact O-OG1 3.17Å; A251-T254 PolarHBondContact O-N 3.3Å; L252-T254 VanDerWaalsContact C-N 3.3Å; L252-T254 PolarHBondContact O-N 3.2Å; T254-Y256 PolarHBondContact O-N 3.08Å; T254-S257 PolarHBondContact O-N 3.44Å; T254-L258 HydrophobicContact CG2-CD1 4.09Å; T254-L258 WeakPolarHBondContact O-CB 3.25Å; T254-L258 PolarHBondContact O-N 3Å
255Y98.9Very high98.2Very high120 Ų12037.8 Ų37.847%0.47120%0.2SC..Hα-helixtrans-57.1-51.2177.3174.4-93.9000112.4A251 L252 L258 A259A251-Y255 WeakPolarHBondContact O-CB 3.47Å; A251-Y255 PolarHBondContact O-N 3.08Å; L252-Y255 PolarHBondContact O-N 2.89Å; Y255-L258 PolarHBondContact O-N 3.24Å; Y255-A259 PolarHBondContact O-N 3.2Å; Y255-A259 VanDerWaalsContact O-N 3.08Å
256Y98.9Very high98.4Very high91 Ų9138.3 Ų38.336%0.35719%0.189SC..Hα-helixtrans-67.7-38179.8-73.1-56.7000112.4L252 T254 A259 A260 P304 L308L252-Y256 HydrophobicContact CD2-CE2 4.34Å; L252-Y256 WeakPolarHBondContact O-CD2 3.3Å; L252-Y256 PolarHBondContact O-N 3.31Å; T254-Y256 PolarHBondContact O-N 3.08Å; Y256-A259 PolarHBondContact O-N 3.43Å; Y256-A260 PolarHBondContact O-N 3.3Å; Y256-P304 HydrophobicContact CD2-CB 4.2Å; Y256-P304 HydrophobicContact CE2-CB 4.37Å; Y256-L308 HydrophobicContact CD1-CD2 4.37Å; Y256-L308 WeakPolarHBondContact O-CD2 3.46Å
257S98.9Very high98.6Very high0 Ų040.6 Ų40.60%021%0.207CC..Hα-helixtrans-63.1-44.3177.3-162.90000112.2N253 T254 A260 S261 G290 V294 A307 G311N253-S257 VanDerWaalsContact O-CB 3.28Å; N253-S257 WeakPolarHBondContact O-CB 3.34Å; N253-S257 PolarHBondContact O-N 2.83Å; T254-S257 PolarHBondContact O-N 3.44Å; S257-A260 PolarHBondContact O-N 3.41Å; S257-S261 WeakPolarHBondContact O-CB 3.25Å; S257-S261 PolarHBondContact O-N 3.07Å; S257-G290 WeakPolarHBondContact CB-O 3.47Å; S257-G290 PolarHBondContact OG-O 3.49Å; S257-G290 VanDerWaalsContact OG-O 3.05Å; S257-V294 WeakPolarHBondContact OG-CG1 3.34Å; S257-A307 VanDerWaalsContact CA-O 3.31Å; S257-A307 WeakPolarHBondContact CA-O 3.47Å; S257-A307 WeakPolarHBondContact CB-O 3.31Å; S257-A307 PolarHBondContact OG-O 3.32Å; S257-G311 VanDerWaalsContact O-CA 3.28Å; S257-G311 WeakPolarHBondContact O-CA 3.48Å; S257-G311 WeakPolarHBondContact OG-CA 3.37Å; S257-G311 PolarHBondContact OG-N 2.98Å
258L98.9Very high98.7Very high1 Ų140 Ų401%0.00521%0.205CC..Hα-helixtrans-61.9-44.5175.4-82.4170.9000112.6W230 W233 T254 Y255 A260 S261 T262 G291W230-L258 HydrophobicContact CG-CD2 4.45Å; W230-L258 HydrophobicContact CZ2-CB 3.94Å; W230-L258 WeakPolarHBondContact O-CD1 3.31Å; W233-L258 HydrophobicContact CB-CD1 3.55Å; W233-L258 HydrophobicContact CG-CD1 4.22Å; T254-L258 HydrophobicContact CG2-CD1 4.09Å; T254-L258 WeakPolarHBondContact O-CB 3.25Å; T254-L258 PolarHBondContact O-N 3Å; Y255-L258 PolarHBondContact O-N 3.24Å; L258-A260 VanDerWaalsContact C-N 3.32Å; L258-A260 PolarHBondContact O-N 2.84Å; L258-S261 PolarHBondContact O-N 3.36Å; L258-T262 PolarHBondContact O-N 2.88Å; L258-T262 PolarHBondContact O-OG1 3.23Å; L258-T262 VanDerWaalsContact O-OG1 3.05Å; L258-G291 VanDerWaalsContact CD2-N 3.32Å
259A98.9Very high98.7Very high32 Ų3234.1 Ų34.126%0.26418%0.178SC..Hα-helixtrans-58.1-45.1176.700000111.9Y255 Y256 T262 L263Y255-A259 PolarHBondContact O-N 3.2Å; Y255-A259 VanDerWaalsContact O-N 3.08Å; Y256-A259 PolarHBondContact O-N 3.43Å; A259-T262 PolarHBondContact O-N 3.37Å; A259-L263 PolarHBondContact O-N 3.41Å
260A98.9Very high98.8Very high10 Ų1033.3 Ų33.38%0.08318%0.181CC..Hα-helixtrans-68.3-38.6177.300000112.9Y256 S257 L258 T262 L263 G264 L308 F312Y256-A260 PolarHBondContact O-N 3.3Å; S257-A260 PolarHBondContact O-N 3.41Å; L258-A260 VanDerWaalsContact C-N 3.32Å; L258-A260 PolarHBondContact O-N 2.84Å; A260-T262 VanDerWaalsContact C-N 3.34Å; A260-T262 PolarHBondContact O-N 3Å; A260-L263 PolarHBondContact O-N 3.06Å; A260-G264 PolarHBondContact O-N 2.9Å; A260-L308 HydrophobicContact CB-CB 4.34Å; A260-L308 HydrophobicContact CB-CD2 3.9Å; A260-L308 WeakPolarHBondContact CB-O 3.43Å; A260-F312 HydrophobicContact CB-CB 4.18Å
261S98.9Very high98.8Very high0 Ų039.8 Ų39.80%022%0.215CC..Hα-helixtrans-62.1-40.6175.9-173.70000112S257 L258 G264 T265 A286 A287 G290 G311 G315S257-S261 WeakPolarHBondContact O-CB 3.25Å; S257-S261 PolarHBondContact O-N 3.07Å; L258-S261 PolarHBondContact O-N 3.36Å; S261-G264 PolarHBondContact O-N 3.48Å; S261-T265 VanDerWaalsContact O-CB 3.26Å; S261-T265 WeakPolarHBondContact O-CB 3.37Å; S261-T265 PolarHBondContact O-N 2.77Å; S261-T265 PolarHBondContact O-OG1 3.2Å; S261-A286 PolarHBondContact OG-O 2.84Å; S261-A286 VanDerWaalsContact OG-O 3.1Å; S261-A287 WeakPolarHBondContact CB-O 3.23Å; S261-A287 PolarHBondContact OG-O 3.27Å; S261-G290 PolarHBondContact OG-N 2.88Å; S261-G311 WeakPolarHBondContact CA-O 3.17Å; S261-G311 VanDerWaalsContact CB-O 3.29Å; S261-G311 WeakPolarHBondContact CB-O 3.35Å; S261-G315 VanDerWaalsContact OG-CA 3.31Å; S261-G315 WeakPolarHBondContact OG-CA 3.33Å; S261-G315 PolarHBondContact OG-N 3.16Å
262T98.9Very high98.7Very high29 Ų2939.8 Ų39.818%0.17821%0.212CC..Hα-helixtrans-59.5-50.5173.9-59.40000110.9W230 L258 A259 A260 G264 T265 F266 A287W230-T262 PolarHBondContact NE1-OG1 3.29Å; L258-T262 PolarHBondContact O-N 2.88Å; L258-T262 PolarHBondContact O-OG1 3.23Å; L258-T262 VanDerWaalsContact O-OG1 3.05Å; A259-T262 PolarHBondContact O-N 3.37Å; A260-T262 VanDerWaalsContact C-N 3.34Å; A260-T262 PolarHBondContact O-N 3Å; T262-G264 PolarHBondContact O-N 3.05Å; T262-T265 WeakPolarHBondContact O-CB 3.5Å; T262-T265 PolarHBondContact O-N 3.44Å; T262-F266 HydrophobicContact CG2-CD2 3.89Å; T262-F266 HydrophobicContact CG2-CE2 3.85Å; T262-F266 WeakPolarHBondContact O-CD2 3.2Å; T262-F266 PolarHBondContact O-N 3.4Å; T262-A287 HydrophobicContact CG2-CB 4.49Å
263L98.8Very high98.6Very high120 Ų12037.6 Ų37.663%0.62821%0.206SC*.Hα-helixtrans-62.4-43.8179.2-92.754.5000112.4A259 A260 T265 F266 A267A259-L263 PolarHBondContact O-N 3.41Å; A260-L263 PolarHBondContact O-N 3.06Å; L263-T265 VanDerWaalsContact C-N 3.3Å; L263-T265 PolarHBondContact O-N 2.59Å; L263-F266 PolarHBondContact O-N 3.46Å; L263-A267 WeakPolarHBondContact O-CB 3.04Å; L263-A267 PolarHBondContact O-N 3.4Å
264G98.8Very high98.3Very high0 Ų043.9 Ų43.90%024%0.236CC..Hα-helixtrans-59-42.4174.200000112A260 S261 T262 A267 L268A260-G264 PolarHBondContact O-N 2.9Å; S261-G264 PolarHBondContact O-N 3.48Å; T262-G264 PolarHBondContact O-N 3.05Å; G264-A267 PolarHBondContact O-N 3.35Å; G264-L268 WeakPolarHBondContact O-CB 3.46Å; G264-L268 VanDerWaalsContact O-CD2 3.32Å; G264-L268 WeakPolarHBondContact O-CD2 3.35Å; G264-L268 PolarHBondContact O-N 2.82Å
265T98.9Very high98.1Very high0 Ų051.1 Ų51.10%027%0.274CS..Hα-helixtrans-62.7-50.2178.2-63.90000112.3S261 T262 L263 A267 L268 S269 H282 I283 A286 A287 G315S261-T265 VanDerWaalsContact O-CB 3.26Å; S261-T265 WeakPolarHBondContact O-CB 3.37Å; S261-T265 PolarHBondContact O-N 2.77Å; S261-T265 PolarHBondContact O-OG1 3.2Å; T262-T265 WeakPolarHBondContact O-CB 3.5Å; T262-T265 PolarHBondContact O-N 3.44Å; L263-T265 VanDerWaalsContact C-N 3.3Å; L263-T265 PolarHBondContact O-N 2.59Å; T265-A267 PolarHBondContact O-N 2.96Å; T265-L268 PolarHBondContact O-N 3.5Å; T265-S269 WeakPolarHBondContact O-CB 3.12Å; T265-S269 PolarHBondContact O-N 2.9Å; T265-H282 HydrophobicContact CG2-CB 4.3Å; T265-H282 WeakPolarHBondContact CG2-O 3.21Å; T265-I283 HydrophobicContact CG2-CD1 4Å; T265-A286 HydrophobicContact CG2-CB 3.73Å; T265-A286 PolarHBondContact OG1-O 3.47Å; T265-A287 HydrophobicContact CG2-CB 4.46Å; T265-A287 PolarHBondContact OG1-N 2.91Å; T265-G315 WeakPolarHBondContact OG1-CA 3.09Å
266F98.8Very high97.9Very high85 Ų8547.5 Ų47.537%0.37327%0.273SS..Hα-helixtrans-62.7-44.1178.9-88.2-99.8000111.8T262 L263 S269 A270 L278 I283T262-F266 HydrophobicContact CG2-CD2 3.89Å; T262-F266 HydrophobicContact CG2-CE2 3.85Å; T262-F266 WeakPolarHBondContact O-CD2 3.2Å; T262-F266 PolarHBondContact O-N 3.4Å; L263-F266 PolarHBondContact O-N 3.46Å; F266-S269 PolarHBondContact O-N 3.36Å; F266-A270 PolarHBondContact O-N 2.75Å; F266-L278 HydrophobicContact CD1-CD1 3.59Å; F266-L278 HydrophobicContact CD1-CD2 4.1Å; F266-L278 HydrophobicContact CD1-CG 4.5Å; F266-L278 HydrophobicContact CE1-CD1 3.65Å; F266-L278 WeakPolarHBondContact O-CD2 3.3Å; F266-I283 HydrophobicContact CD1-CD1 3.9Å; F266-I283 HydrophobicContact CD2-CD1 3.69Å; F266-I283 HydrophobicContact CE1-CD1 3.9Å; F266-I283 HydrophobicContact CE1-CG1 4.26Å; F266-I283 HydrophobicContact CE2-CD1 3.7Å; F266-I283 HydrophobicContact CE2-CG1 4.29Å; F266-I283 HydrophobicContact CE2-CG2 3.68Å; F266-I283 HydrophobicContact CG-CD1 3.81Å; F266-I283 HydrophobicContact CZ-CB 4.47Å; F266-I283 HydrophobicContact CZ-CD1 3.8Å; F266-I283 HydrophobicContact CZ-CG1 4.04Å; F266-I283 HydrophobicContact CZ-CG2 3.58Å
267A98.6Very high97.9Very high54 Ų5450.2 Ų50.245%0.44628%0.283SS..Hα-helixtrans-61.2-49.417900000111.6L263 G264 T265 A270 L271L263-A267 WeakPolarHBondContact O-CB 3.04Å; L263-A267 PolarHBondContact O-N 3.4Å; G264-A267 PolarHBondContact O-N 3.35Å; T265-A267 PolarHBondContact O-N 2.96Å; A267-A270 PolarHBondContact O-N 3.39Å; A267-L271 WeakPolarHBondContact O-CB 3.11Å; A267-L271 PolarHBondContact O-N 3.01Å
268L98.4Very high97.8Very high24 Ų2454.3 Ų54.313%0.12631%0.305CS..Hα-helixtrans-71-35.9-179.6-87.3-61.3000112.1G264 T265 A270 L271 V272 T316 T319 L320G264-L268 WeakPolarHBondContact O-CB 3.46Å; G264-L268 VanDerWaalsContact O-CD2 3.32Å; G264-L268 WeakPolarHBondContact O-CD2 3.35Å; G264-L268 PolarHBondContact O-N 2.82Å; T265-L268 PolarHBondContact O-N 3.5Å; L268-A270 VanDerWaalsContact C-N 3.33Å; L268-A270 PolarHBondContact O-N 3.28Å; L268-L271 HydrophobicContact CD1-CD2 4Å; L268-L271 PolarHBondContact O-N 3.05Å; L268-V272 VanDerWaalsContact O-CG2 3.3Å; L268-V272 WeakPolarHBondContact O-CG2 3.33Å; L268-V272 PolarHBondContact O-N 3.35Å; L268-T316 HydrophobicContact CD1-CG2 4.12Å; L268-T316 HydrophobicContact CD2-CG2 3.74Å; L268-T316 WeakPolarHBondContact CD2-OG1 3.49Å; L268-T316 HydrophobicContact CG-CG2 3.63Å; L268-T319 HydrophobicContact CB-CG2 3.83Å; L268-L320 HydrophobicContact CD1-CD2 4.48Å
269S98.6Very high97.8Very high0 Ų057.6 Ų57.60%032%0.322CS..Hα-helixtrans-61-43.7176.5-1770000111.3T265 F266 G273 D279 H282T265-S269 WeakPolarHBondContact O-CB 3.12Å; T265-S269 PolarHBondContact O-N 2.9Å; F266-S269 PolarHBondContact O-N 3.36Å; S269-G273 WeakPolarHBondContact O-CA 3.28Å; S269-G273 PolarHBondContact O-N 3.02Å; S269-D279 PolarHBondContact OG-N 3.38Å; S269-D279 VanDerWaalsContact OG-N 3.08Å; S269-H282 WeakPolarHBondContact CB-ND1 3.47Å; S269-H282 PolarHBondContact OG-ND1 3.14Å
270A98.4Very high97.8Very high31 Ų3159.3 Ų59.326%0.25633%0.325SS..Hα-helixtrans-65.7-42.917500000111F266 A267 L268 V272 G273 G276 L278F266-A270 PolarHBondContact O-N 2.75Å; A267-A270 PolarHBondContact O-N 3.39Å; L268-A270 VanDerWaalsContact C-N 3.33Å; L268-A270 PolarHBondContact O-N 3.28Å; A270-V272 VanDerWaalsContact C-N 3.33Å; A270-V272 PolarHBondContact O-N 3.31Å; A270-G273 PolarHBondContact O-N 3.16Å; A270-G276 WeakPolarHBondContact CB-O 3.28Å; A270-G276 WeakPolarHBondContact O-CA 3.11Å; A270-L278 HydrophobicContact CB-CD2 3.92Å
271L98.2Very high97.7Very high137 Ų13760.9 Ų60.972%0.71733%0.334SS*.Hα-helixtrans-62.1-37.8-178.2-173.766.3000113.3A267 L268A267-L271 WeakPolarHBondContact O-CB 3.11Å; A267-L271 PolarHBondContact O-N 3.01Å; L268-L271 HydrophobicContact CD1-CD2 4Å; L268-L271 PolarHBondContact O-N 3.05Å
272V97.6Very high97.7Very high28 Ų2861.1 Ų61.117%0.1734%0.335CS..Hα-helixtrans-97.4-1.9-179.5-50.90000113.4L268 A270 L320 K323 F324L268-V272 VanDerWaalsContact O-CG2 3.3Å; L268-V272 WeakPolarHBondContact O-CG2 3.33Å; L268-V272 PolarHBondContact O-N 3.35Å; A270-V272 VanDerWaalsContact C-N 3.33Å; A270-V272 PolarHBondContact O-N 3.31Å; V272-L320 HydrophobicContact CG1-CD2 4.12Å; V272-K323 HydrophobicContact CB-CG 4.16Å; V272-K323 HydrophobicContact CG2-CB 4.13Å; V272-K323 HydrophobicContact CG2-CD 4.16Å; V272-K323 HydrophobicContact CG2-CG 3.83Å; V272-K323 VanDerWaalsContact O-CE 3.3Å; V272-K323 WeakPolarHBondContact O-CE 3.48Å; V272-K323 PolarHBondContact O-NZ 3.44Å; V272-F324 HydrophobicContact CB-CE2 4.46Å; V272-F324 HydrophobicContact CB-CZ 4.39Å; V272-F324 HydrophobicContact CG1-CE2 4.06Å; V272-F324 HydrophobicContact CG1-CZ 4.31Å
273G95.6Very high97.7Very high22 Ų2260.3 Ų60.323%0.22733%0.329CS..SBendtrans-84.5148.8177.900000112S269 A270 D275 G276S269-G273 WeakPolarHBondContact O-CA 3.28Å; S269-G273 PolarHBondContact O-N 3.02Å; A270-G273 PolarHBondContact O-N 3.16Å; G273-D275 PolarHBondContact O-N 3.25Å; G273-G276 PolarHBondContact O-N 3.13Å
274E92.6Very high97.7Very high138 Ų13854.6 Ų54.665%0.64530%0.299SS*.G310 helixtrans-65.7128.2173.6-66.2178.8178.400109.9G276 R277E274-G276 PolarHBondContact O-N 3.5Å; E274-R277 WeakPolarHBondContact O-CB 3.3Å; E274-R277 WeakPolarHBondContact O-CG 3.34Å; E274-R277 PolarHBondContact O-N 3.49Å; E274-R277 VanDerWaalsContact O-N 3.13Å; E274-R277 PolarHBondContact O-NE 3.5Å; E274-R277 VanDerWaalsContact O-NE 3.14Å; E274-R277 IonicContact OE2-NH2 3.91Å; E274-R277 PolarHBondContact OE2-NH2 3.37Å
275D94.8Very high97.7Very high152 Ų15255.1 Ų55.181%0.81330%0.302SS*.G310 helixtrans58.224.6-177.5-50.8-46.8000114.7G273 R277G273-D275 PolarHBondContact O-N 3.25Å; D275-R277 VanDerWaalsContact C-N 3.27Å; D275-R277 PolarHBondContact O-N 2.92Å
276G96Very high97.7Very high44 Ų4455.1 Ų55.145%0.45430%0.302SS..G310 helixtrans77.310.5-178.100000114.2A270 G273 E274A270-G276 WeakPolarHBondContact CB-O 3.28Å; A270-G276 WeakPolarHBondContact O-CA 3.11Å; G273-G276 PolarHBondContact O-N 3.13Å; E274-G276 PolarHBondContact O-N 3.5Å
277R97.6Very high97.7Very high147 Ų14751.3 Ų51.356%0.55529%0.286SS*.  trans-73.2147.7-178.8-65.6-177.6-70.4170.4-0.9111.9E274 D275E274-R277 WeakPolarHBondContact O-CB 3.3Å; E274-R277 WeakPolarHBondContact O-CG 3.34Å; E274-R277 PolarHBondContact O-N 3.49Å; E274-R277 VanDerWaalsContact O-N 3.13Å; E274-R277 PolarHBondContact O-NE 3.5Å; E274-R277 VanDerWaalsContact O-NE 3.14Å; E274-R277 IonicContact OE2-NH2 3.91Å; E274-R277 PolarHBondContact OE2-NH2 3.37Å; D275-R277 VanDerWaalsContact C-N 3.27Å; D275-R277 PolarHBondContact O-N 2.92Å
278L98.4Very high97.7Very high87 Ų8748.7 Ų48.746%0.45527%0.265SS..  trans-85.4147.6177.5-58.8173.7000111F266 A270F266-L278 HydrophobicContact CD1-CD1 3.59Å; F266-L278 HydrophobicContact CD1-CD2 4.1Å; F266-L278 HydrophobicContact CD1-CG 4.5Å; F266-L278 HydrophobicContact CE1-CD1 3.65Å; F266-L278 WeakPolarHBondContact O-CD2 3.3Å; A270-L278 HydrophobicContact CB-CD2 3.92Å
279D98.2Very high97.7Very high70 Ų7047.6 Ų47.637%0.37426%0.259SS..  trans-109.7124.8175.1-171.1-38.3000109.4S269 V281 H282 I283S269-D279 PolarHBondContact OG-N 3.38Å; S269-D279 VanDerWaalsContact OG-N 3.08Å; D279-V281 PolarHBondContact O-N 2.97Å; D279-V281 WeakPolarHBondContact OD1-CB 3.28Å; D279-V281 PolarHBondContact OD1-N 2.65Å; D279-H282 HydrophobicContact CB-CB 4.49Å; D279-H282 WeakPolarHBondContact O-CB 3.38Å; D279-H282 PolarHBondContact O-N 3.3Å; D279-H282 VanDerWaalsContact O-N 3.1Å; D279-I283 WeakPolarHBondContact O-CG1 3.46Å; D279-I283 PolarHBondContact O-N 3.3Å; D279-I283 VanDerWaalsContact O-N 3.16Å
280M98.2Very high97.7Very high68 Ų6847.6 Ų47.634%0.33526%0.259SS..Hα-helixtrans-63.3-28.9-177.9-76.9-57.7-63.100113D219 M223 H282 I283 Q284D219-M280 HydrophobicContact CB-CB 4.36Å; D219-M280 HydrophobicContact CB-CG 4.42Å; M223-M280 HydrophobicContact CG-CE 3.28Å; M223-M280 HydrophobicContact SD-CE 3.59Å; M223-M280 VanDerWaalsContact SD-CE 3.59Å; M280-H282 VanDerWaalsContact C-N 3.3Å; M280-H282 PolarHBondContact O-N 3.23Å; M280-I283 PolarHBondContact O-N 2.96Å; M280-Q284 HydrophobicContact CE-CG 4.13Å; M280-Q284 VanDerWaalsContact O-CB 3.24Å; M280-Q284 WeakPolarHBondContact O-CB 3.45Å; M280-Q284 VanDerWaalsContact O-CD 3.26Å; M280-Q284 WeakPolarHBondContact O-CG 3.38Å; M280-Q284 PolarHBondContact O-N 3.09Å; M280-Q284 PolarHBondContact O-OE1 3.12Å
281V97.8Very high97.7Very high43 Ų4346.1 Ų46.126%0.26125%0.247SC..Hα-helixtrans-63.9-39.8175.2177.80000110.4D279 N285 Y322D279-V281 PolarHBondContact O-N 2.97Å; D279-V281 WeakPolarHBondContact OD1-CB 3.28Å; D279-V281 PolarHBondContact OD1-N 2.65Å; V281-N285 WeakPolarHBondContact O-CB 3.23Å; V281-N285 PolarHBondContact O-N 3.16Å; V281-N285 PolarHBondContact O-ND2 3.37Å; V281-Y322 HydrophobicContact CG1-CD1 3.63Å; V281-Y322 HydrophobicContact CG1-CE1 3.77Å; V281-Y322 HydrophobicContact CG1-CG 4.39Å
282H98.6Very high97.8Very high5 Ų539.6 Ų39.62%0.02321%0.213CC..Hα-helixtrans-64.1-50.1174.2-57.9160.9000110.6T265 S269 D279 M280 Q284 N285 A286 T319T265-H282 HydrophobicContact CG2-CB 4.3Å; T265-H282 WeakPolarHBondContact CG2-O 3.21Å; S269-H282 WeakPolarHBondContact CB-ND1 3.47Å; S269-H282 PolarHBondContact OG-ND1 3.14Å; D279-H282 HydrophobicContact CB-CB 4.49Å; D279-H282 WeakPolarHBondContact O-CB 3.38Å; D279-H282 PolarHBondContact O-N 3.3Å; D279-H282 VanDerWaalsContact O-N 3.1Å; M280-H282 VanDerWaalsContact C-N 3.3Å; M280-H282 PolarHBondContact O-N 3.23Å; H282-Q284 PolarHBondContact O-N 2.95Å; H282-N285 PolarHBondContact O-N 2.94Å; H282-A286 WeakPolarHBondContact O-CA 3.16Å; H282-A286 VanDerWaalsContact O-CB 3.32Å; H282-A286 WeakPolarHBondContact O-CB 3.37Å; H282-A286 PolarHBondContact O-N 3.34Å; H282-T319 HydrophobicContact CB-CG2 4.3Å
283I98.7Very high97.8Very high11 Ų1138.5 Ų38.56%0.05621%0.206CC..Hα-helixtrans-64.3-43.6-175.2-56.6-42.2000111.7M223 T265 F266 D279 M280 N285 A287M223-I283 HydrophobicContact CE-CG2 4.43Å; M223-I283 HydrophobicContact SD-CG2 4.27Å; T265-I283 HydrophobicContact CG2-CD1 4Å; F266-I283 HydrophobicContact CD1-CD1 3.9Å; F266-I283 HydrophobicContact CD2-CD1 3.69Å; F266-I283 HydrophobicContact CE1-CD1 3.9Å; F266-I283 HydrophobicContact CE1-CG1 4.26Å; F266-I283 HydrophobicContact CE2-CD1 3.7Å; F266-I283 HydrophobicContact CE2-CG1 4.29Å; F266-I283 HydrophobicContact CE2-CG2 3.68Å; F266-I283 HydrophobicContact CG-CD1 3.81Å; F266-I283 HydrophobicContact CZ-CB 4.47Å; F266-I283 HydrophobicContact CZ-CD1 3.8Å; F266-I283 HydrophobicContact CZ-CG1 4.04Å; F266-I283 HydrophobicContact CZ-CG2 3.58Å; D279-I283 WeakPolarHBondContact O-CG1 3.46Å; D279-I283 PolarHBondContact O-N 3.3Å; D279-I283 VanDerWaalsContact O-N 3.16Å; M280-I283 PolarHBondContact O-N 2.96Å; I283-N285 VanDerWaalsContact C-N 3.28Å; I283-N285 PolarHBondContact O-N 3.18Å; I283-A287 WeakPolarHBondContact O-CB 3.48Å
284Q98.6Very high98Very high0 Ų037.4 Ų37.40%020%0.195CC..Hα-helixtrans-64.4-32.3-179-73.8160.51.900112.7L78 D219 A222 M223 T226 M280 H282 L288L78-Q284 HydrophobicContact CD1-CB 4.07Å; D219-Q284 VanDerWaalsContact CA-NE2 3.34Å; D219-Q284 PolarHBondContact O-NE2 3.39Å; D219-Q284 VanDerWaalsContact O-NE2 3.13Å; D219-Q284 PolarHBondContact OD1-NE2 3.32Å; A222-Q284 HydrophobicContact CB-CG 4.31Å; M223-Q284 HydrophobicContact CG-CG 4.05Å; M223-Q284 HydrophobicContact SD-CB 4.33Å; M223-Q284 HydrophobicContact SD-CG 3.47Å; M223-Q284 WeakPolarHBondContact SD-CG 3.36Å; T226-Q284 WeakPolarHBondContact CG2-O 3.45Å; T226-Q284 WeakPolarHBondContact OG1-CA 3.39Å; T226-Q284 WeakPolarHBondContact OG1-CB 3.42Å; T226-Q284 PolarHBondContact OG1-O 3.36Å; M280-Q284 HydrophobicContact CE-CG 4.13Å; M280-Q284 VanDerWaalsContact O-CB 3.24Å; M280-Q284 WeakPolarHBondContact O-CB 3.45Å; M280-Q284 VanDerWaalsContact O-CD 3.26Å; M280-Q284 WeakPolarHBondContact O-CG 3.38Å; M280-Q284 PolarHBondContact O-N 3.09Å; M280-Q284 PolarHBondContact O-OE1 3.12Å; H282-Q284 PolarHBondContact O-N 2.95Å; Q284-L288 WeakPolarHBondContact O-CD1 3.32Å
285N98.7Very high98.3Very high12 Ų1230.9 Ų30.96%0.06416%0.164CC..Hα-helixtrans-114.3-58.2-169.8-61.7-82.3000112.8V281 H282 I283 A287 L288 Y322 L344V281-N285 WeakPolarHBondContact O-CB 3.23Å; V281-N285 PolarHBondContact O-N 3.16Å; V281-N285 PolarHBondContact O-ND2 3.37Å; H282-N285 PolarHBondContact O-N 2.94Å; I283-N285 VanDerWaalsContact C-N 3.28Å; I283-N285 PolarHBondContact O-N 3.18Å; N285-A287 PolarHBondContact O-N 3.16Å; N285-A287 VanDerWaalsContact O-N 3.16Å; N285-L288 VanDerWaalsContact O-CB 3.23Å; N285-L288 WeakPolarHBondContact O-CB 3.2Å; N285-L288 PolarHBondContact O-N 3.44Å; N285-Y322 HydrophobicContact CB-CE1 4.43Å; N285-Y322 HydrophobicContact CB-CE2 3.63Å; N285-Y322 VanDerWaalsContact CB-CZ 3.47Å; N285-Y322 WeakPolarHBondContact CB-OH 3.39Å; N285-L344 HydrophobicContact CB-CD2 4.27Å; N285-L344 WeakPolarHBondContact O-CD1 3.46Å
286A98.8Very high98.5Very high0 Ų023.6 Ų23.60%013%0.126CC..G310 helixtrans-64.5-25.7-172.400000113.5S261 T265 H282 L288 A289 S318 T319 Y322S261-A286 PolarHBondContact OG-O 2.84Å; S261-A286 VanDerWaalsContact OG-O 3.1Å; T265-A286 HydrophobicContact CG2-CB 3.73Å; T265-A286 PolarHBondContact OG1-O 3.47Å; H282-A286 WeakPolarHBondContact O-CA 3.16Å; H282-A286 VanDerWaalsContact O-CB 3.32Å; H282-A286 WeakPolarHBondContact O-CB 3.37Å; H282-A286 PolarHBondContact O-N 3.34Å; A286-L288 PolarHBondContact O-N 3.1Å; A286-A289 VanDerWaalsContact O-CB 3.26Å; A286-A289 WeakPolarHBondContact O-CB 3.13Å; A286-A289 PolarHBondContact O-N 3.34Å; A286-A289 VanDerWaalsContact O-N 3.09Å; A286-S318 VanDerWaalsContact CA-OG 3.32Å; A286-S318 WeakPolarHBondContact CA-OG 3.49Å; A286-S318 VanDerWaalsContact CB-OG 3.25Å; A286-S318 WeakPolarHBondContact CB-OG 3.43Å; A286-T319 WeakPolarHBondContact CB-OG1 3.39Å; A286-Y322 HydrophobicContact CB-CD2 4.45Å
287A98.8Very high98.6Very high4 Ų421.5 Ų21.53%0.03310%0.104CC..G310 helixtrans-59.3-28.517300000112.4S261 T262 T265 I283 N285S261-A287 WeakPolarHBondContact CB-O 3.23Å; S261-A287 PolarHBondContact OG-O 3.27Å; T262-A287 HydrophobicContact CG2-CB 4.49Å; T265-A287 HydrophobicContact CG2-CB 4.46Å; T265-A287 PolarHBondContact OG1-N 2.91Å; I283-A287 WeakPolarHBondContact O-CB 3.48Å; N285-A287 PolarHBondContact O-N 3.16Å; N285-A287 VanDerWaalsContact O-N 3.16Å
288L98.9Very high98.5Very high0 Ų014.5 Ų14.50%08%0.078CC..G310 helixtrans-81.1-13.7-179.7-57.4174.4000113.6L78 T226 L229 W230 W233 Q284 N285 A286 G290 G291 L344L78-L288 HydrophobicContact CD2-CD1 4.32Å; T226-L288 HydrophobicContact CG2-CD1 4.35Å; T226-L288 HydrophobicContact CG2-CD2 4.13Å; T226-L288 HydrophobicContact CG2-CG 4.26Å; L229-L288 HydrophobicContact CB-CD1 4.11Å; L229-L288 HydrophobicContact CB-CD2 3.97Å; L229-L288 HydrophobicContact CD1-CD1 3.76Å; W230-L288 HydrophobicContact CB-CD2 3.72Å; W230-L288 HydrophobicContact CG-CD2 4.28Å; W233-L288 HydrophobicContact CE3-CB 4.34Å; W233-L288 HydrophobicContact CE3-CD2 4.06Å; W233-L288 HydrophobicContact CH2-CB 3.99Å; W233-L288 HydrophobicContact CZ3-CB 3.54Å; W233-L288 HydrophobicContact CZ3-CD1 4.06Å; W233-L288 HydrophobicContact CZ3-CD2 3.8Å; W233-L288 HydrophobicContact CZ3-CG 3.99Å; Q284-L288 WeakPolarHBondContact O-CD1 3.32Å; N285-L288 VanDerWaalsContact O-CB 3.23Å; N285-L288 WeakPolarHBondContact O-CB 3.2Å; N285-L288 PolarHBondContact O-N 3.44Å; A286-L288 PolarHBondContact O-N 3.1Å; L288-G290 PolarHBondContact O-N 3.46Å; L288-G290 VanDerWaalsContact O-N 3.12Å; L288-G291 PolarHBondContact O-N 3.07Å; L288-L344 HydrophobicContact CB-CD1 3.61Å; L288-L344 HydrophobicContact CB-CD2 4.28Å; L288-L344 HydrophobicContact CD1-CD2 4.14Å
289A98.9Very high98.4Very high0 Ų011.2 Ų11.20%06%0.06CC..Hα-helixtrans-60.3-26.7-176.600000113.2A286 G291 V292 V293 A314 L344 P348A286-A289 VanDerWaalsContact O-CB 3.26Å; A286-A289 WeakPolarHBondContact O-CB 3.13Å; A286-A289 PolarHBondContact O-N 3.34Å; A286-A289 VanDerWaalsContact O-N 3.09Å; A289-G291 VanDerWaalsContact C-N 3.32Å; A289-G291 PolarHBondContact O-N 3.18Å; A289-V292 PolarHBondContact O-N 2.98Å; A289-V293 PolarHBondContact O-N 3.34Å; A289-A314 HydrophobicContact CB-CB 3.98Å; A289-L344 HydrophobicContact CB-CD1 4.23Å; A289-P348 HydrophobicContact CB-CB 4.21Å; A289-P348 HydrophobicContact CB-CG 3.85Å
290G98.9Very high98.4Very high0 Ų07.9 Ų7.90%04%0.042CC..Hα-helixtrans-61.1-35.6172.300000113.6S257 S261 L288 V294S257-G290 WeakPolarHBondContact CB-O 3.47Å; S257-G290 PolarHBondContact OG-O 3.49Å; S257-G290 VanDerWaalsContact OG-O 3.05Å; S261-G290 PolarHBondContact OG-N 2.88Å; L288-G290 PolarHBondContact O-N 3.46Å; L288-G290 VanDerWaalsContact O-N 3.12Å; G290-V294 WeakPolarHBondContact O-CG2 3.15Å
291G98.8Very high98.3Very high0 Ų08.3 Ų8.30%04%0.044CC..Hα-helixtrans-67.2-41.8175.800000111.8N237 L258 L288 A289N237-G291 PolarHBondContact ND2-O 2.97Å; L258-G291 VanDerWaalsContact CD2-N 3.32Å; L288-G291 PolarHBondContact O-N 3.07Å; A289-G291 VanDerWaalsContact C-N 3.32Å; A289-G291 PolarHBondContact O-N 3.18Å
292V98.9Very high98.2Very high0 Ų06.9 Ų6.90%04%0.035CC..Hα-helixtrans-66.5-46.8179.3179.20000111.9S182 H186 W233 A289 V294 G295 L344 P348S182-V292 PolarHBondContact OG-O 3.25Å; H186-V292 HydrophobicContact CB-CG1 3.69Å; W233-V292 HydrophobicContact CH2-CG2 3.95Å; W233-V292 HydrophobicContact CZ2-CG2 3.49Å; W233-V292 VanDerWaalsContact CZ2-CG2 3.49Å; A289-V292 PolarHBondContact O-N 2.98Å; V292-V294 VanDerWaalsContact C-N 3.28Å; V292-V294 PolarHBondContact O-N 3.03Å; V292-G295 PolarHBondContact O-N 3.5Å; V292-G295 VanDerWaalsContact O-N 3.16Å; V292-L344 HydrophobicContact CG2-CD1 4.16Å; V292-P348 HydrophobicContact CB-CB 3.98Å; V292-P348 HydrophobicContact CG1-CB 3.79Å
293V98.9Very high98Very high5 Ų510 Ų103%0.036%0.055CC..Hα-helixtrans-68.2-25.1-171.676.50000113.3A289 A310 A314 L351 G352A289-V293 PolarHBondContact O-N 3.34Å; V293-A310 HydrophobicContact CG1-CB 4.08Å; V293-A314 HydrophobicContact CB-CB 3.71Å; V293-A314 HydrophobicContact CG1-CB 3.65Å; V293-A314 HydrophobicContact CG2-CB 4.09Å; V293-L351 HydrophobicContact CG2-CB 3.93Å; V293-G352 WeakPolarHBondContact O-CA 3.28Å
294V98.8Very high97.9Very high0 Ų013 Ų130%07%0.074CC..THydrogen-bonded Turntrans-982.2175.9-58.80000113.5S257 G290 V292 T296 S297 S298 L302 A310S257-V294 WeakPolarHBondContact OG-CG1 3.34Å; G290-V294 WeakPolarHBondContact O-CG2 3.15Å; V292-V294 VanDerWaalsContact C-N 3.28Å; V292-V294 PolarHBondContact O-N 3.03Å; V294-T296 VanDerWaalsContact C-N 3.31Å; V294-T296 PolarHBondContact O-N 2.92Å; V294-S297 PolarHBondContact O-N 3.31Å; V294-S297 VanDerWaalsContact O-N 3.14Å; V294-S298 WeakPolarHBondContact O-CA 3.24Å; V294-S298 WeakPolarHBondContact O-CB 3.47Å; V294-S298 PolarHBondContact O-N 2.83Å; V294-S298 PolarHBondContact O-OG 3.01Å; V294-L302 HydrophobicContact CB-CD2 4.34Å; V294-L302 HydrophobicContact CG1-CD2 3.77Å; V294-A310 HydrophobicContact CG1-CB 4.17Å
295G98.6Very high97.9Very high0 Ų020.6 Ų20.60%011%0.108CC..THydrogen-bonded Turntrans-50.4-48.8-177.200000113G180 S182 V292 S298G180-G295 WeakPolarHBondContact CA-O 3Å; G180-G295 PolarHBondContact N-O 3.49Å; S182-G295 WeakPolarHBondContact OG-CA 3.47Å; S182-G295 PolarHBondContact OG-N 2.9Å; S182-G295 VanDerWaalsContact OG-N 3.14Å; V292-G295 PolarHBondContact O-N 3.5Å; V292-G295 VanDerWaalsContact O-N 3.16Å; G295-S298 PolarHBondContact O-OG 3.17Å
296T98.6Very high97.9Very high0 Ų020.8 Ų20.80%011%0.113CC..THydrogen-bonded Turntrans-70.4-43.9176.8-51.10000113.5R177 D178 S182 M183 V294 M300R177-T296 WeakPolarHBondContact O-CG2 3.38Å; D178-T296 HydrophobicContact CB-CG2 4.5Å; D178-T296 VanDerWaalsContact OD1-CA 3.3Å; D178-T296 WeakPolarHBondContact OD1-CA 3.29Å; D178-T296 WeakPolarHBondContact OD1-CB 3.31Å; D178-T296 PolarHBondContact OD1-OG1 2.98Å; S182-T296 VanDerWaalsContact CB-OG1 3.23Å; S182-T296 WeakPolarHBondContact CB-OG1 3.34Å; S182-T296 PolarHBondContact OG-N 2.93Å; S182-T296 PolarHBondContact OG-OG1 2.84Å; M183-T296 HydrophobicContact CE-CG2 3.82Å; V294-T296 VanDerWaalsContact C-N 3.31Å; V294-T296 PolarHBondContact O-N 2.92Å; T296-M300 HydrophobicContact CG2-CE 4.22Å; T296-M300 WeakPolarHBondContact O-CE 3.49Å
297S98.2Very high97.9Very high0 Ų020.8 Ų20.80%011%0.113CC..THydrogen-bonded Turntrans-96-8.9-165.960.90000114.8V294 E299 M300 L355V294-S297 PolarHBondContact O-N 3.31Å; V294-S297 VanDerWaalsContact O-N 3.14Å; S297-E299 VanDerWaalsContact C-N 3.32Å; S297-E299 PolarHBondContact O-N 2.86Å; S297-M300 WeakPolarHBondContact O-CA 3.49Å; S297-M300 VanDerWaalsContact O-CB 3.28Å; S297-M300 WeakPolarHBondContact O-CB 3.26Å; S297-M300 PolarHBondContact O-N 3.39Å; S297-L355 VanDerWaalsContact OG-CD2 3.28Å; S297-L355 WeakPolarHBondContact OG-CD2 3.44Å
298S97.4Very high97.9Very high0 Ų024 Ų240%013%0.129CC..THydrogen-bonded Turntrans-67.2-30.9-174.148.50000113T250 N253 V294 G295 M300T250-S298 WeakPolarHBondContact CA-O 3.41Å; T250-S298 WeakPolarHBondContact CG2-OG 3.3Å; N253-S298 PolarHBondContact ND2-O 3.35Å; V294-S298 WeakPolarHBondContact O-CA 3.24Å; V294-S298 WeakPolarHBondContact O-CB 3.47Å; V294-S298 PolarHBondContact O-N 2.83Å; V294-S298 PolarHBondContact O-OG 3.01Å; G295-S298 PolarHBondContact O-OG 3.17Å; S298-M300 VanDerWaalsContact C-N 3.28Å
299E96.3Very high97.9Very high17 Ų1726.2 Ų26.28%0.07915%0.148CC..THydrogen-bonded Turntrans-76.1-16171.271.2174.315000113.3A179 T241 R249 T250 S297 V375A179-E299 HydrophobicContact CB-CB 4.24Å; A179-E299 HydrophobicContact CB-CG 4.05Å; A179-E299 WeakPolarHBondContact CB-OE1 3.37Å; A179-E299 PolarHBondContact N-OE1 3.22Å; T241-E299 HydrophobicContact CG2-CB 3.91Å; R249-E299 VanDerWaalsContact CZ-O 3.28Å; R249-E299 PolarHBondContact NE-O 3.1Å; R249-E299 PolarHBondContact NH2-O 2.75Å; T250-E299 WeakPolarHBondContact OG1-CA 3.44Å; T250-E299 WeakPolarHBondContact OG1-CB 2.94Å; S297-E299 VanDerWaalsContact C-N 3.32Å; S297-E299 PolarHBondContact O-N 2.86Å; E299-V375 HydrophobicContact CG-CG1 4.28Å
300M97.6Very high97.9Very high0 Ų026.8 Ų26.80%015%0.152CC..SBendtrans-85.7176.4178.8-49.2179-179.500111.3R177 R249 T296 S297 S298 L302 V359 A360 V375 F376R177-M300 HydrophobicContact CB-CE 3.85Å; R249-M300 WeakPolarHBondContact CD-O 3.37Å; R249-M300 PolarHBondContact NE-O 3.37Å; T296-M300 HydrophobicContact CG2-CE 4.22Å; T296-M300 WeakPolarHBondContact O-CE 3.49Å; S297-M300 WeakPolarHBondContact O-CA 3.49Å; S297-M300 VanDerWaalsContact O-CB 3.28Å; S297-M300 WeakPolarHBondContact O-CB 3.26Å; S297-M300 PolarHBondContact O-N 3.39Å; S298-M300 VanDerWaalsContact C-N 3.28Å; M300-L302 PolarHBondContact O-N 3.16Å; M300-V359 HydrophobicContact CB-CB 4.37Å; M300-V359 HydrophobicContact CB-CG1 3.46Å; M300-V359 VanDerWaalsContact CB-CG1 3.46Å; M300-V359 HydrophobicContact CG-CG1 4.33Å; M300-V359 HydrophobicContact SD-CB 3.89Å; M300-V359 HydrophobicContact SD-CG1 3.94Å; M300-A360 HydrophobicContact CE-CB 4.44Å; M300-A360 HydrophobicContact SD-CB 4.41Å; M300-V375 HydrophobicContact CG-CG1 4.3Å; M300-F376 HydrophobicContact CE-CE1 4.17Å; M300-F376 HydrophobicContact CE-CZ 3.75Å; M300-F376 HydrophobicContact CG-CE2 4.24Å; M300-F376 HydrophobicContact CG-CZ 3.91Å; M300-F376 HydrophobicContact SD-CZ 3.77Å
301M96.1Very high97.9Very high77 Ų7726.8 Ų26.838%0.37915%0.152SC..SBendtrans-79.160.5174.9-70.7-65.3-72.200111.9T303 A367 Y368M301-T303 VanDerWaalsContact C-N 3.29Å; M301-T303 PolarHBondContact O-N 2.79Å; M301-A367 WeakPolarHBondContact CE-O 3.33Å; M301-Y368 HydrophobicContact CB-CD2 4.38Å; M301-Y368 HydrophobicContact CB-CE1 4.07Å; M301-Y368 HydrophobicContact CB-CE2 3.7Å; M301-Y368 HydrophobicContact CG-CD1 3.66Å; M301-Y368 HydrophobicContact CG-CD2 3.83Å; M301-Y368 HydrophobicContact CG-CE1 3.41Å; M301-Y368 VanDerWaalsContact CG-CE1 3.41Å; M301-Y368 HydrophobicContact CG-CE2 3.57Å; M301-Y368 HydrophobicContact CG-CG 3.86Å; M301-Y368 PolarHBondContact N-OH 3.06Å
302L95.3Very high97.9Very high14 Ų1431.7 Ų31.77%0.07317%0.174CC..  trans-68.1-25.5178.1-179.862.1000113.6V294 M300 G306 A307 L355 V359V294-L302 HydrophobicContact CB-CD2 4.34Å; V294-L302 HydrophobicContact CG1-CD2 3.77Å; M300-L302 PolarHBondContact O-N 3.16Å; L302-G306 WeakPolarHBondContact O-CA 3.49Å; L302-A307 HydrophobicContact CD2-CB 4.06Å; L302-L355 HydrophobicContact CD1-CD1 3.86Å; L302-L355 HydrophobicContact CD1-CD2 3.96Å; L302-L355 HydrophobicContact CD1-CG 4.11Å; L302-L355 HydrophobicContact CD2-CD2 4.32Å; L302-V359 HydrophobicContact CD1-CG2 3.82Å
303T95.1Very high97.9Very high70 Ų7036.2 Ų36.243%0.42920%0.197SC..  trans67.3151-16678.50000114.2M301 F305 G306 A307M301-T303 VanDerWaalsContact C-N 3.29Å; M301-T303 PolarHBondContact O-N 2.79Å; T303-F305 VanDerWaalsContact C-N 3.26Å; T303-F305 PolarHBondContact O-N 3.16Å; T303-G306 PolarHBondContact O-N 2.92Å; T303-G306 VanDerWaalsContact O-N 3.12Å; T303-G306 PolarHBondContact OG1-N 3.32Å; T303-G306 VanDerWaalsContact OG1-N 3.13Å; T303-A307 PolarHBondContact O-N 3.19Å
304P96.5Very high97.9Very high73 Ų7336 Ų3647%0.47420%0.196SC..Hα-helixtrans-59.5-34.5176-26.135.4000113.8Y256 A307 L308Y256-P304 HydrophobicContact CD2-CB 4.2Å; Y256-P304 HydrophobicContact CE2-CB 4.37Å; P304-A307 PolarHBondContact O-N 3.43Å; P304-L308 WeakPolarHBondContact O-CG 3.32Å; P304-L308 PolarHBondContact O-N 2.84Å
305F98.1Very high97.9Very high160 Ų16036 Ų3670%0.70220%0.196SC*.Hα-helixtrans-65.4-45.1174.2173.5-98.6000111.5T303 A307 L308 A309T303-F305 VanDerWaalsContact C-N 3.26Å; T303-F305 PolarHBondContact O-N 3.16Å; F305-A307 VanDerWaalsContact C-N 3.26Å; F305-A307 PolarHBondContact O-N 3.37Å; F305-L308 PolarHBondContact O-N 3.13Å; F305-A309 WeakPolarHBondContact O-CB 3.41Å; F305-A309 PolarHBondContact O-N 2.75Å
306G98.4Very high97.9Very high16 Ų1637.1 Ų37.117%0.16520%0.203CC..Hα-helixtrans-58.6-39.7175.500000112.1L302 T303 A309 A310L302-G306 WeakPolarHBondContact O-CA 3.49Å; T303-G306 PolarHBondContact O-N 2.92Å; T303-G306 VanDerWaalsContact O-N 3.12Å; T303-G306 PolarHBondContact OG1-N 3.32Å; T303-G306 VanDerWaalsContact OG1-N 3.13Å; G306-A309 PolarHBondContact O-N 2.95Å; G306-A310 VanDerWaalsContact O-CB 3.28Å; G306-A310 WeakPolarHBondContact O-CB 3.26Å; G306-A310 PolarHBondContact O-N 2.82Å
307A98.8Very high97.9Very high0 Ų039 Ų390%021%0.214CC..Hα-helixtrans-62.7-47.2174.800000113N253 S257 L302 T303 P304 F305 G311N253-A307 HydrophobicContact CB-CB 4.12Å; N253-A307 WeakPolarHBondContact O-CB 3.35Å; S257-A307 VanDerWaalsContact CA-O 3.31Å; S257-A307 WeakPolarHBondContact CA-O 3.47Å; S257-A307 WeakPolarHBondContact CB-O 3.31Å; S257-A307 PolarHBondContact OG-O 3.32Å; L302-A307 HydrophobicContact CD2-CB 4.06Å; T303-A307 PolarHBondContact O-N 3.19Å; P304-A307 PolarHBondContact O-N 3.43Å; F305-A307 VanDerWaalsContact C-N 3.26Å; F305-A307 PolarHBondContact O-N 3.37Å; A307-G311 PolarHBondContact O-N 3.09Å
308L98.8Very high97.9Very high72 Ų7239 Ų3938%0.37721%0.214SC..Hα-helixtrans-59.5-47.1175.3-72.2169.6000111.4Y256 A260 P304 F305 G311 F312Y256-L308 HydrophobicContact CD1-CD2 4.37Å; Y256-L308 WeakPolarHBondContact O-CD2 3.46Å; A260-L308 HydrophobicContact CB-CB 4.34Å; A260-L308 HydrophobicContact CB-CD2 3.9Å; A260-L308 WeakPolarHBondContact CB-O 3.43Å; P304-L308 WeakPolarHBondContact O-CG 3.32Å; P304-L308 PolarHBondContact O-N 2.84Å; F305-L308 PolarHBondContact O-N 3.13Å; L308-G311 PolarHBondContact O-N 3.46Å; L308-F312 WeakPolarHBondContact O-CB 3.48Å; L308-F312 PolarHBondContact O-N 3.48Å
309A98.8Very high98Very high47 Ų4739 Ų3939%0.38821%0.214SC..Hα-helixtrans-63.3-46.3-17900000111.8F305 G306 G311 L313F305-A309 WeakPolarHBondContact O-CB 3.41Å; F305-A309 PolarHBondContact O-N 2.75Å; G306-A309 PolarHBondContact O-N 2.95Å; A309-G311 VanDerWaalsContact C-N 3.35Å; A309-G311 PolarHBondContact O-N 3.49Å; A309-L313 WeakPolarHBondContact O-CB 3.4Å; A309-L313 PolarHBondContact O-N 2.86Å; A309-L313 VanDerWaalsContact O-N 3.09Å
310A98.8Very high98.1Very high11 Ų1141.3 Ų41.39%0.09123%0.227CC..Hα-helixtrans-60.9-44.2176.400000111.6V293 V294 G306 L313 A314 L355V293-A310 HydrophobicContact CG1-CB 4.08Å; V294-A310 HydrophobicContact CG1-CB 4.17Å; G306-A310 VanDerWaalsContact O-CB 3.28Å; G306-A310 WeakPolarHBondContact O-CB 3.26Å; G306-A310 PolarHBondContact O-N 2.82Å; A310-L313 PolarHBondContact O-N 3.5Å; A310-A314 WeakPolarHBondContact O-CB 3.4Å; A310-A314 PolarHBondContact O-N 3.07Å; A310-L355 HydrophobicContact CB-CD2 3.67Å
311G98.9Very high98.1Very high0 Ų041.4 Ų41.40%023%0.228CC..Hα-helixtrans-62.9-50.1179.400000112.9S257 S261 A307 L308 A309 L313 A314 G315S257-G311 VanDerWaalsContact O-CA 3.28Å; S257-G311 WeakPolarHBondContact O-CA 3.48Å; S257-G311 WeakPolarHBondContact OG-CA 3.37Å; S257-G311 PolarHBondContact OG-N 2.98Å; S261-G311 WeakPolarHBondContact CA-O 3.17Å; S261-G311 VanDerWaalsContact CB-O 3.29Å; S261-G311 WeakPolarHBondContact CB-O 3.35Å; A307-G311 PolarHBondContact O-N 3.09Å; L308-G311 PolarHBondContact O-N 3.46Å; A309-G311 VanDerWaalsContact C-N 3.35Å; A309-G311 PolarHBondContact O-N 3.49Å; G311-L313 VanDerWaalsContact C-N 3.3Å; G311-L313 PolarHBondContact O-N 2.95Å; G311-A314 PolarHBondContact O-N 3.02Å; G311-G315 PolarHBondContact O-N 3.11Å
312F98.9Very high98.2Very high104 Ų10438.8 Ų38.846%0.45621%0.214SC..Hα-helixtrans-58.1-43.4177.6-176.3-96.3000112.1A260 L308 T316A260-F312 HydrophobicContact CB-CB 4.18Å; L308-F312 WeakPolarHBondContact O-CB 3.48Å; L308-F312 PolarHBondContact O-N 3.48Å; F312-T316 WeakPolarHBondContact O-CB 3.41Å; F312-T316 PolarHBondContact O-N 3.44Å; F312-T316 VanDerWaalsContact O-N 3.13Å; F312-T316 PolarHBondContact O-OG1 3.19Å
313L98.7Very high98.3Very high95 Ų9541.9 Ų41.950%0.49723%0.227SC..Hα-helixtrans-62.5-46.9176.2178.463.2000111.2A309 A310 G311 T316 V317A309-L313 WeakPolarHBondContact O-CB 3.4Å; A309-L313 PolarHBondContact O-N 2.86Å; A309-L313 VanDerWaalsContact O-N 3.09Å; A310-L313 PolarHBondContact O-N 3.5Å; G311-L313 VanDerWaalsContact C-N 3.3Å; G311-L313 PolarHBondContact O-N 2.95Å; L313-T316 WeakPolarHBondContact O-CB 3.18Å; L313-T316 PolarHBondContact O-N 3.08Å; L313-V317 HydrophobicContact CD1-CG2 3.95Å; L313-V317 HydrophobicContact CG-CG2 4.35Å; L313-V317 WeakPolarHBondContact O-CB 3.34Å; L313-V317 WeakPolarHBondContact O-CG2 3.37Å; L313-V317 PolarHBondContact O-N 2.88Å
314A98.8Very high98.4Very high1 Ų143.7 Ų43.71%0.00823%0.229CC..Hα-helixtrans-63.2-45.5-179.100000112.7A289 V293 A310 G311 T316 V317 S318A289-A314 HydrophobicContact CB-CB 3.98Å; V293-A314 HydrophobicContact CB-CB 3.71Å; V293-A314 HydrophobicContact CG1-CB 3.65Å; V293-A314 HydrophobicContact CG2-CB 4.09Å; A310-A314 WeakPolarHBondContact O-CB 3.4Å; A310-A314 PolarHBondContact O-N 3.07Å; G311-A314 PolarHBondContact O-N 3.02Å; A314-T316 VanDerWaalsContact C-N 3.3Å; A314-T316 PolarHBondContact O-N 3.49Å; A314-V317 PolarHBondContact O-N 3.43Å; A314-S318 VanDerWaalsContact O-CB 3.23Å; A314-S318 WeakPolarHBondContact O-CB 3.42Å; A314-S318 PolarHBondContact O-N 3.4Å
315G98.8Very high98.4Very high0 Ų043.6 Ų43.60%022%0.221CC..Hα-helixtrans-61.6-38176.300000112.8S261 T265 G311 T319S261-G315 VanDerWaalsContact OG-CA 3.31Å; S261-G315 WeakPolarHBondContact OG-CA 3.33Å; S261-G315 PolarHBondContact OG-N 3.16Å; T265-G315 WeakPolarHBondContact OG1-CA 3.09Å; G311-G315 PolarHBondContact O-N 3.11Å; G315-T319 WeakPolarHBondContact O-CB 3.32Å; G315-T319 PolarHBondContact O-N 3.21Å; G315-T319 VanDerWaalsContact O-N 3.07Å; G315-T319 PolarHBondContact O-OG1 3.12Å
316T98.5Very high98.4Very high23 Ų2337.2 Ų37.214%0.14120%0.196CC..Hα-helixtrans-64.9-53.2174.5-61.30000111.4L268 F312 L313 A314 S318 T319 L320L268-T316 HydrophobicContact CD1-CG2 4.12Å; L268-T316 HydrophobicContact CD2-CG2 3.74Å; L268-T316 WeakPolarHBondContact CD2-OG1 3.49Å; L268-T316 HydrophobicContact CG-CG2 3.63Å; F312-T316 WeakPolarHBondContact O-CB 3.41Å; F312-T316 PolarHBondContact O-N 3.44Å; F312-T316 VanDerWaalsContact O-N 3.13Å; F312-T316 PolarHBondContact O-OG1 3.19Å; L313-T316 WeakPolarHBondContact O-CB 3.18Å; L313-T316 PolarHBondContact O-N 3.08Å; A314-T316 VanDerWaalsContact C-N 3.3Å; A314-T316 PolarHBondContact O-N 3.49Å; T316-S318 PolarHBondContact O-N 3.33Å; T316-T319 PolarHBondContact O-N 3.42Å; T316-L320 HydrophobicContact CG2-CD1 4.2Å; T316-L320 WeakPolarHBondContact O-CG 3.32Å; T316-L320 PolarHBondContact O-N 2.83Å
317V98.3Very high98.3Very high40 Ų4039.6 Ų39.624%0.24221%0.208CC..Hα-helixtrans-62.7-42.9-178.7170.30000111.2L313 A314 L320 G321 M347 L351L313-V317 HydrophobicContact CD1-CG2 3.95Å; L313-V317 HydrophobicContact CG-CG2 4.35Å; L313-V317 WeakPolarHBondContact O-CB 3.34Å; L313-V317 WeakPolarHBondContact O-CG2 3.37Å; L313-V317 PolarHBondContact O-N 2.88Å; A314-V317 PolarHBondContact O-N 3.43Å; V317-L320 PolarHBondContact O-N 2.97Å; V317-G321 PolarHBondContact O-N 3.11Å; V317-M347 HydrophobicContact CG1-CE 4.35Å; V317-M347 HydrophobicContact CG1-SD 4.32Å; V317-L351 HydrophobicContact CG1-CD1 4.26Å
318S98.8Very high98.3Very high0 Ų042.6 Ų42.60%022%0.223CC..Hα-helixtrans-61-46.61771790000111.2A286 A314 T316 L320 G321 Y322 N343A286-S318 VanDerWaalsContact CA-OG 3.32Å; A286-S318 WeakPolarHBondContact CA-OG 3.49Å; A286-S318 VanDerWaalsContact CB-OG 3.25Å; A286-S318 WeakPolarHBondContact CB-OG 3.43Å; A314-S318 VanDerWaalsContact O-CB 3.23Å; A314-S318 WeakPolarHBondContact O-CB 3.42Å; A314-S318 PolarHBondContact O-N 3.4Å; T316-S318 PolarHBondContact O-N 3.33Å; S318-L320 PolarHBondContact O-N 3.06Å; S318-G321 WeakPolarHBondContact O-CA 3.41Å; S318-G321 PolarHBondContact O-N 3.33Å; S318-G321 VanDerWaalsContact O-N 3.07Å; S318-Y322 VanDerWaalsContact O-CD2 3.29Å; S318-Y322 WeakPolarHBondContact O-CD2 3.34Å; S318-Y322 PolarHBondContact O-N 3.44Å; S318-N343 VanDerWaalsContact CB-O 3.25Å; S318-N343 WeakPolarHBondContact CB-O 3.28Å; S318-N343 PolarHBondContact OG-O 2.99Å
319T98.9Very high98.2Very high0 Ų040 Ų400%021%0.21CC..Hα-helixtrans-59.4-45.2177.3-59.20000112.1L268 H282 A286 G315 T316 G321 Y322 K323L268-T319 HydrophobicContact CB-CG2 3.83Å; H282-T319 HydrophobicContact CB-CG2 4.3Å; A286-T319 WeakPolarHBondContact CB-OG1 3.39Å; G315-T319 WeakPolarHBondContact O-CB 3.32Å; G315-T319 PolarHBondContact O-N 3.21Å; G315-T319 VanDerWaalsContact O-N 3.07Å; G315-T319 PolarHBondContact O-OG1 3.12Å; T316-T319 PolarHBondContact O-N 3.42Å; T319-G321 VanDerWaalsContact C-N 3.28Å; T319-G321 PolarHBondContact O-N 3.41Å; T319-Y322 PolarHBondContact O-N 2.79Å; T319-K323 PolarHBondContact O-N 2.81Å
320L98.4Very high98Very high64 Ų6439.8 Ų39.834%0.33520%0.201SC..Hα-helixtrans-63.9-35.1174.8-66.3173.8000112L268 V272 T316 V317 S318 K323 F324L268-L320 HydrophobicContact CD1-CD2 4.48Å; V272-L320 HydrophobicContact CG1-CD2 4.12Å; T316-L320 HydrophobicContact CG2-CD1 4.2Å; T316-L320 WeakPolarHBondContact O-CG 3.32Å; T316-L320 PolarHBondContact O-N 2.83Å; V317-L320 PolarHBondContact O-N 2.97Å; S318-L320 PolarHBondContact O-N 3.06Å; L320-K323 PolarHBondContact O-N 3.33Å; L320-F324 HydrophobicContact CB-CD2 4.42Å; L320-F324 HydrophobicContact CD2-CD2 3.94Å; L320-F324 HydrophobicContact CD2-CE2 3.69Å; L320-F324 WeakPolarHBondContact O-CB 3.3Å; L320-F324 PolarHBondContact O-N 3.41Å
321G98.5Very high97.9Very high3 Ų342.4 Ų42.43%0.03122%0.218CC..Iπ-helixtrans-59.4-49.2173.500000112.8V317 S318 T319 F325 T326 N343V317-G321 PolarHBondContact O-N 3.11Å; S318-G321 WeakPolarHBondContact O-CA 3.41Å; S318-G321 PolarHBondContact O-N 3.33Å; S318-G321 VanDerWaalsContact O-N 3.07Å; T319-G321 VanDerWaalsContact C-N 3.28Å; T319-G321 PolarHBondContact O-N 3.41Å; G321-F325 CarbonylContact O-C 3.5Å; G321-F325 WeakPolarHBondContact O-CA 3.46Å; G321-F325 WeakPolarHBondContact O-CB 3.48Å; G321-F325 PolarHBondContact O-N 3Å; G321-T326 PolarHBondContact O-N 3.45Å; G321-T326 PolarHBondContact O-OG1 3.16Å; G321-N343 VanDerWaalsContact C-CG 3.43Å; G321-N343 VanDerWaalsContact CA-OD1 3.26Å; G321-N343 WeakPolarHBondContact CA-OD1 3.48Å; G321-N343 PolarHBondContact O-OD1 2.75Å
322Y98.4Very high97.8Very high22 Ų2250 Ų509%0.08625%0.251CS..Iπ-helixtrans-60.3-50.9175.1-83.1-76.6000111.6V281 N285 A286 S318 T319 C339 G340 N343V281-Y322 HydrophobicContact CG1-CD1 3.63Å; V281-Y322 HydrophobicContact CG1-CE1 3.77Å; V281-Y322 HydrophobicContact CG1-CG 4.39Å; N285-Y322 HydrophobicContact CB-CE1 4.43Å; N285-Y322 HydrophobicContact CB-CE2 3.63Å; N285-Y322 VanDerWaalsContact CB-CZ 3.47Å; N285-Y322 WeakPolarHBondContact CB-OH 3.39Å; A286-Y322 HydrophobicContact CB-CD2 4.45Å; S318-Y322 VanDerWaalsContact O-CD2 3.29Å; S318-Y322 WeakPolarHBondContact O-CD2 3.34Å; S318-Y322 PolarHBondContact O-N 3.44Å; T319-Y322 PolarHBondContact O-N 2.79Å; Y322-C339 WeakPolarHBondContact CE1-O 3.37Å; Y322-C339 PolarHBondContact OH-O 2.94Å; Y322-G340 PolarHBondContact OH-O 3.31Å; Y322-G340 VanDerWaalsContact OH-O 3.08Å; Y322-N343 HydrophobicContact CD2-CB 3.57Å; Y322-N343 HydrophobicContact CE2-CB 3.48Å; Y322-N343 VanDerWaalsContact CE2-CB 3.48Å; Y322-N343 HydrophobicContact CG-CB 4.13Å
323K97.8Very high97.7Very high79 Ų7950.5 Ų50.534%0.34325%0.253SS..Iπ-helixtrans-66-43.1-175.4-177.364.8175.3-169.80113.5V272 T319 L320V272-K323 HydrophobicContact CB-CG 4.16Å; V272-K323 HydrophobicContact CG2-CB 4.13Å; V272-K323 HydrophobicContact CG2-CD 4.16Å; V272-K323 HydrophobicContact CG2-CG 3.83Å; V272-K323 VanDerWaalsContact O-CE 3.3Å; V272-K323 WeakPolarHBondContact O-CE 3.48Å; V272-K323 PolarHBondContact O-NZ 3.44Å; T319-K323 PolarHBondContact O-N 2.81Å; L320-K323 PolarHBondContact O-N 3.33Å
324F97.4Very high97.7Very high108 Ų10849.8 Ų49.847%0.47425%0.247SC..Iπ-helixtrans-117.7-38.2-167.2-58.8-65.5000113.8V272 L320 I328V272-F324 HydrophobicContact CB-CE2 4.46Å; V272-F324 HydrophobicContact CB-CZ 4.39Å; V272-F324 HydrophobicContact CG1-CE2 4.06Å; V272-F324 HydrophobicContact CG1-CZ 4.31Å; L320-F324 HydrophobicContact CB-CD2 4.42Å; L320-F324 HydrophobicContact CD2-CD2 3.94Å; L320-F324 HydrophobicContact CD2-CE2 3.69Å; L320-F324 WeakPolarHBondContact O-CB 3.3Å; L320-F324 PolarHBondContact O-N 3.41Å; F324-I328 VanDerWaalsContact O-CD1 3.26Å; F324-I328 WeakPolarHBondContact O-CD1 3.19Å; F324-I328 VanDerWaalsContact O-CG1 3.27Å; F324-I328 WeakPolarHBondContact O-CG1 3.27Å
325F96.6Very high97.7Very high70 Ų7050.6 Ų50.631%0.30725%0.251SS..Iπ-helixtrans-84.8-37.1-171.6-162.9-120.6000113.3G321 I328 L329 H342 M347G321-F325 CarbonylContact O-C 3.5Å; G321-F325 WeakPolarHBondContact O-CA 3.46Å; G321-F325 WeakPolarHBondContact O-CB 3.48Å; G321-F325 PolarHBondContact O-N 3Å; F325-I328 WeakPolarHBondContact O-CA 3.37Å; F325-I328 WeakPolarHBondContact O-CB 3.33Å; F325-I328 PolarHBondContact O-N 3.13Å; F325-L329 HydrophobicContact CD1-CD1 3.77Å; F325-L329 HydrophobicContact CD1-CD2 4.47Å; F325-L329 HydrophobicContact CD1-CG 3.9Å; F325-L329 HydrophobicContact CE1-CD1 3.69Å; F325-L329 HydrophobicContact CE1-CD2 3.72Å; F325-L329 HydrophobicContact CE1-CG 3.66Å; F325-L329 HydrophobicContact CZ-CD2 3.83Å; F325-L329 HydrophobicContact CZ-CG 4.08Å; F325-L329 PolarHBondContact O-N 3Å; F325-H342 AromaticContact CD1-CD2 3.53Å; F325-H342 AromaticContact CD1-NE2 3.69Å; F325-H342 AromaticContact CE1-CD2 3.52Å; F325-H342 AromaticContact CE1-NE2 3.26Å; F325-H342 VanDerWaalsContact CE1-NE2 3.26Å; F325-H342 WeakPolarHBondContact CE1-NE2 3.3Å; F325-M347 HydrophobicContact CD1-SD 4.49Å
326T97.5Very high97.6Very high27 Ų2750.9 Ų50.917%0.16625%0.252CS..Hα-helixtrans-56.8-47.5176.9-59.40000112.6G321 I328 L329 E330 N343G321-T326 PolarHBondContact O-N 3.45Å; G321-T326 PolarHBondContact O-OG1 3.16Å; T326-I328 VanDerWaalsContact C-N 3.26Å; T326-I328 PolarHBondContact O-N 3Å; T326-L329 PolarHBondContact O-N 2.88Å; T326-E330 PolarHBondContact O-N 2.89Å; T326-E330 VanDerWaalsContact O-N 3.09Å; T326-N343 PolarHBondContact OG1-ND2 3.43Å
327P96.6Very high97.6Very high66 Ų6650.2 Ų50.243%0.42925%0.248SC..Hα-helixtrans-61-32.9174.1-2434.9000113.8S331P327-S331 VanDerWaalsContact O-CB 3.29Å; P327-S331 WeakPolarHBondContact O-CB 3.33Å; P327-S331 PolarHBondContact O-N 3.26Å; P327-S331 PolarHBondContact O-OG 3.44Å
328I97.6Very high97.6Very high62 Ų6248.8 Ų48.832%0.31824%0.24SC..Hα-helixtrans-70.9-43.6177.6-66.5169.8000110.6F324 F325 T326 E330 S331 K332 F333F324-I328 VanDerWaalsContact O-CD1 3.26Å; F324-I328 WeakPolarHBondContact O-CD1 3.19Å; F324-I328 VanDerWaalsContact O-CG1 3.27Å; F324-I328 WeakPolarHBondContact O-CG1 3.27Å; F325-I328 WeakPolarHBondContact O-CA 3.37Å; F325-I328 WeakPolarHBondContact O-CB 3.33Å; F325-I328 PolarHBondContact O-N 3.13Å; T326-I328 VanDerWaalsContact C-N 3.26Å; T326-I328 PolarHBondContact O-N 3Å; I328-E330 VanDerWaalsContact C-N 3.33Å; I328-E330 PolarHBondContact O-N 3.45Å; I328-S331 PolarHBondContact O-N 3.21Å; I328-K332 HydrophobicContact CG2-CD 4.13Å; I328-K332 HydrophobicContact CG2-CG 4.36Å; I328-K332 WeakPolarHBondContact O-CB 3.38Å; I328-K332 PolarHBondContact O-N 3.27Å; I328-F333 HydrophobicContact CG2-CD2 4.25Å; I328-F333 HydrophobicContact CG2-CE2 3.94Å
329L96.4Very high97.6Very high17 Ų1749.5 Ų49.59%0.08924%0.244CC..Iπ-helixtrans-56.3-46.6174.8-76.7178.4000111.5F325 T326 F333 K334 V335 H342F325-L329 HydrophobicContact CD1-CD1 3.77Å; F325-L329 HydrophobicContact CD1-CD2 4.47Å; F325-L329 HydrophobicContact CD1-CG 3.9Å; F325-L329 HydrophobicContact CE1-CD1 3.69Å; F325-L329 HydrophobicContact CE1-CD2 3.72Å; F325-L329 HydrophobicContact CE1-CG 3.66Å; F325-L329 HydrophobicContact CZ-CD2 3.83Å; F325-L329 HydrophobicContact CZ-CG 4.08Å; F325-L329 PolarHBondContact O-N 3Å; T326-L329 PolarHBondContact O-N 2.88Å; L329-F333 HydrophobicContact CD2-CB 4.42Å; L329-F333 HydrophobicContact CD2-CD2 4.09Å; L329-F333 HydrophobicContact CD2-CG 4.45Å; L329-F333 CarbonylContact O-C 3.6Å; L329-F333 WeakPolarHBondContact O-CA 3.49Å; L329-F333 WeakPolarHBondContact O-CB 3.38Å; L329-F333 PolarHBondContact O-N 2.99Å; L329-F333 VanDerWaalsContact O-N 3.16Å; L329-K334 PolarHBondContact O-N 2.74Å; L329-V335 CarbonylContact C-O 3.27Å; L329-V335 HydrophobicContact CB-CB 4.31Å; L329-V335 PolarHBondContact O-N 2.82Å; L329-H342 HydrophobicContact CD1-CB 4.13Å
330E96.1Very high97.6Very high44 Ų4449.6 Ų49.621%0.20625%0.245CC..Iπ-helixtrans-67.3-52.6179.1-174.7178.4-160.500111.9K209 T326 I328 K334 V335 Q336K209-E330 IonicContact NZ-OE2 3.75Å; T326-E330 PolarHBondContact O-N 2.89Å; T326-E330 VanDerWaalsContact O-N 3.09Å; I328-E330 VanDerWaalsContact C-N 3.33Å; I328-E330 PolarHBondContact O-N 3.45Å; E330-K334 WeakPolarHBondContact O-CA 3.5Å; E330-K334 PolarHBondContact O-N 3.28Å; E330-V335 VanDerWaalsContact CA-O 3.22Å; E330-V335 WeakPolarHBondContact CA-O 3.33Å; E330-V335 PolarHBondContact N-O 3.49Å; E330-Q336 HydrophobicContact CG-CG 4.18Å
331S96.1Very high97.6Very high65 Ų6546.8 Ų46.846%0.45523%0.231SC..Iπ-helixtrans-71.8-45.1-171.359.20000113.3P327 I328 K334P327-S331 VanDerWaalsContact O-CB 3.29Å; P327-S331 WeakPolarHBondContact O-CB 3.33Å; P327-S331 PolarHBondContact O-N 3.26Å; P327-S331 PolarHBondContact O-OG 3.44Å; I328-S331 PolarHBondContact O-N 3.21Å; S331-K334 PolarHBondContact O-NZ 3.29Å
332K96.9Very high97.6Very high159 Ų15947.4 Ų47.469%0.69123%0.233SC*.Iπ-helixtrans-96-43.9-173.2-57.9-164.6-177.3-177.20113I328I328-K332 HydrophobicContact CG2-CD 4.13Å; I328-K332 HydrophobicContact CG2-CG 4.36Å; I328-K332 WeakPolarHBondContact O-CB 3.38Å; I328-K332 PolarHBondContact O-N 3.27Å
333F97Very high97.7Very high115 Ų11546.3 Ų46.350%0.50423%0.229SC..Iπ-helixtrans-93.3-8.7-175.2-62.4-81000113.5R198 I328 L329 V335R198-F333 VanDerWaalsContact CD-O 3.23Å; R198-F333 WeakPolarHBondContact CD-O 3.46Å; R198-F333 PolarHBondContact NE-O 3.48Å; I328-F333 HydrophobicContact CG2-CD2 4.25Å; I328-F333 HydrophobicContact CG2-CE2 3.94Å; L329-F333 HydrophobicContact CD2-CB 4.42Å; L329-F333 HydrophobicContact CD2-CD2 4.09Å; L329-F333 HydrophobicContact CD2-CG 4.45Å; L329-F333 CarbonylContact O-C 3.6Å; L329-F333 WeakPolarHBondContact O-CA 3.49Å; L329-F333 WeakPolarHBondContact O-CB 3.38Å; L329-F333 PolarHBondContact O-N 2.99Å; L329-F333 VanDerWaalsContact O-N 3.16Å; F333-V335 VanDerWaalsContact C-N 3.26Å; F333-V335 HydrophobicContact CB-CG2 4.01Å; F333-V335 PolarHBondContact O-N 3.02Å
334K98.1Very high97.7Very high81 Ų8142.7 Ų42.735%0.35221%0.213SC..  trans60.436.3-178-52-50.9-169.2-170.80112.3R198 Y201 L329 E330 S331R198-K334 WeakPolarHBondContact CD-O 3.41Å; Y201-K334 HydrophobicContact CD1-CB 4.36Å; Y201-K334 HydrophobicContact CD2-CB 3.69Å; Y201-K334 WeakPolarHBondContact CD2-O 3.45Å; Y201-K334 HydrophobicContact CE1-CB 4.4Å; Y201-K334 HydrophobicContact CE1-CD 4.33Å; Y201-K334 HydrophobicContact CE1-CG 4.5Å; Y201-K334 HydrophobicContact CE2-CB 3.75Å; Y201-K334 HydrophobicContact CE2-CD 3.95Å; Y201-K334 HydrophobicContact CE2-CG 4.34Å; Y201-K334 HydrophobicContact CG-CB 4.01Å; L329-K334 PolarHBondContact O-N 2.74Å; E330-K334 WeakPolarHBondContact O-CA 3.5Å; E330-K334 PolarHBondContact O-N 3.28Å; S331-K334 PolarHBondContact O-NZ 3.29Å
335V98.5Very high97.8Very high17 Ų1737.8 Ų37.810%0.10319%0.192CC..  trans-105.6110.7175.7-1750000108.3L194 R198 L329 E330 F333 D337L194-V335 HydrophobicContact CB-CG1 4.32Å; L194-V335 HydrophobicContact CD2-CG1 3.66Å; R198-V335 HydrophobicContact CB-CG2 4.1Å; R198-V335 HydrophobicContact CG-CG2 4.28Å; L329-V335 CarbonylContact C-O 3.27Å; L329-V335 HydrophobicContact CB-CB 4.31Å; L329-V335 PolarHBondContact O-N 2.82Å; E330-V335 VanDerWaalsContact CA-O 3.22Å; E330-V335 WeakPolarHBondContact CA-O 3.33Å; E330-V335 PolarHBondContact N-O 3.49Å; F333-V335 VanDerWaalsContact C-N 3.26Å; F333-V335 HydrophobicContact CB-CG2 4.01Å; F333-V335 PolarHBondContact O-N 3.02Å; V335-D337 PolarHBondContact O-N 2.86Å
336Q98.1Very high97.9Very high6 Ų634.5 Ų34.53%0.02818%0.177CC..  trans-94.394.4-179.8-71.6164.2-26.100108.5A142 K146 S197 Y201 R202 L205 E330A142-Q336 VanDerWaalsContact O-O 3.04Å; K146-Q336 PolarHBondContact NZ-O 2.91Å; S197-Q336 PolarHBondContact OG-O 2.94Å; Y201-Q336 HydrophobicContact CD2-CG 4.04Å; Y201-Q336 HydrophobicContact CE2-CG 4.1Å; R202-Q336 PolarHBondContact O-NE2 2.88Å; L205-Q336 HydrophobicContact CD2-CB 4.33Å; L205-Q336 VanDerWaalsContact CD2-CD 3.41Å; L205-Q336 HydrophobicContact CD2-CG 4Å; E330-Q336 HydrophobicContact CG-CG 4.18Å
337D98.4Very high97.9Very high9 Ų934.9 Ų34.95%0.04818%0.178CC..  trans-97.6103.9-177.9-175.5-1.8000110.2L194 V335 G340 V341 H342L194-D337 HydrophobicContact CD2-CB 3.9Å; L194-D337 WeakPolarHBondContact CD2-OD2 3.39Å; V335-D337 PolarHBondContact O-N 2.86Å; D337-G340 WeakPolarHBondContact OD1-CA 3.24Å; D337-G340 PolarHBondContact OD1-N 3.2Å; D337-G340 WeakPolarHBondContact OD2-CA 3.44Å; D337-V341 VanDerWaalsContact CG-N 3.27Å; D337-V341 PolarHBondContact OD1-N 2.85Å; D337-V341 PolarHBondContact OD2-N 3.34Å; D337-H342 WeakPolarHBondContact OD2-CB 3.27Å; D337-H342 PolarHBondContact OD2-N 2.89Å
338T98.4Very high98Very high11 Ų1131.8 Ų31.87%0.06716%0.157CC..SBendtrans-67.4-48.1-170.1-61.20000112.2F81 L82 G141 A142 L144 K146 Y429F81-T338 HydrophobicContact CZ-CG2 4.3Å; L82-T338 HydrophobicContact CD1-CG2 4.05Å; L82-T338 HydrophobicContact CD2-CG2 4.44Å; G141-T338 WeakPolarHBondContact O-CB 3.36Å; A142-T338 PolarHBondContact O-N 3Å; L144-T338 HydrophobicContact CB-CG2 4Å; L144-T338 HydrophobicContact CD2-CG2 4.31Å; L144-T338 HydrophobicContact CG-CG2 4.46Å; L144-T338 WeakPolarHBondContact O-CB 3.44Å; L144-T338 WeakPolarHBondContact O-CG2 3.45Å; L144-T338 PolarHBondContact O-OG1 3.24Å; K146-T338 WeakPolarHBondContact CE-OG1 3.22Å; K146-T338 PolarHBondContact NZ-OG1 3.45Å; T338-Y429 HydrophobicContact CG2-CE1 3.8Å
339C98.3Very high98.1Very high15 Ų1528.8 Ų28.810%0.10114%0.142CC..SBendtrans-91-1.8-180-64.50000113.2G141 Y322 V341G141-C339 PolarHBondContact O-N 3.39Å; G141-C339 PolarHBondContact O-SG 3.32Å; Y322-C339 WeakPolarHBondContact CE1-O 3.37Å; Y322-C339 PolarHBondContact OH-O 2.94Å; C339-V341 VanDerWaalsContact C-N 3.31Å; C339-V341 HydrophobicContact CB-CG1 3.81Å
340G98.4Very high98.2Very high2 Ų229.6 Ų29.62%0.02115%0.147CC..  trans63.738.4-171.900000111.9Y322 D337 H342 N343 L344Y322-G340 PolarHBondContact OH-O 3.31Å; Y322-G340 VanDerWaalsContact OH-O 3.08Å; D337-G340 WeakPolarHBondContact OD1-CA 3.24Å; D337-G340 PolarHBondContact OD1-N 3.2Å; D337-G340 WeakPolarHBondContact OD2-CA 3.44Å; G340-H342 PolarHBondContact O-N 2.98Å; G340-H342 VanDerWaalsContact O-N 3.11Å; G340-N343 WeakPolarHBondContact CA-ND2 3.35Å; G340-N343 WeakPolarHBondContact O-CB 3.39Å; G340-N343 PolarHBondContact O-N 2.98Å; G340-N343 PolarHBondContact O-ND2 3.05Å; G340-L344 PolarHBondContact O-N 3.36Å
341V98.8Very high98.3Very high5 Ų530.2 Ų30.23%0.0315%0.152CC..Hα-helixtrans-60.3-23.2-177.5-53.10000112.1I138 A142 L194 D337 C339 N343 H345 G346I138-V341 HydrophobicContact CG2-CB 4.21Å; I138-V341 WeakPolarHBondContact O-CG1 3.13Å; A142-V341 HydrophobicContact CB-CG2 3.82Å; L194-V341 HydrophobicContact CG-CG2 4.44Å; D337-V341 VanDerWaalsContact CG-N 3.27Å; D337-V341 PolarHBondContact OD1-N 2.85Å; D337-V341 PolarHBondContact OD2-N 3.34Å; C339-V341 VanDerWaalsContact C-N 3.31Å; C339-V341 HydrophobicContact CB-CG1 3.81Å; V341-N343 VanDerWaalsContact C-N 3.27Å; V341-N343 PolarHBondContact O-N 2.91Å; V341-H345 WeakPolarHBondContact O-CA 3.5Å; V341-H345 WeakPolarHBondContact O-CB 3.28Å; V341-H345 PolarHBondContact O-N 3.4Å; V341-G346 PolarHBondContact O-N 3.5Å
342H98.8Very high98.5Very high15 Ų1527.1 Ų27.17%0.06913%0.13CC..Iπ-helixtrans-59.1-39.6169.5-171.264.7000112.4Y191 L194 F325 L329 D337 G340 G346 M347Y191-H342 AromaticContact CE1-CE1 3.84Å; Y191-H342 AromaticContact CE1-ND1 3.87Å; Y191-H342 AromaticContact CZ-CE1 3.87Å; Y191-H342 PolarHBondContact OH-CE1 2.94Å; Y191-H342 VanDerWaalsContact OH-CE1 3.31Å; L194-H342 HydrophobicContact CD1-CB 3.67Å; L194-H342 VanDerWaalsContact CD1-ND1 3.34Å; L194-H342 WeakPolarHBondContact CD1-ND1 3.3Å; L194-H342 HydrophobicContact CD2-CB 4.04Å; L194-H342 HydrophobicContact CG-CB 4.44Å; F325-H342 AromaticContact CD1-CD2 3.53Å; F325-H342 AromaticContact CD1-NE2 3.69Å; F325-H342 AromaticContact CE1-CD2 3.52Å; F325-H342 AromaticContact CE1-NE2 3.26Å; F325-H342 VanDerWaalsContact CE1-NE2 3.26Å; F325-H342 WeakPolarHBondContact CE1-NE2 3.3Å; L329-H342 HydrophobicContact CD1-CB 4.13Å; D337-H342 WeakPolarHBondContact OD2-CB 3.27Å; D337-H342 PolarHBondContact OD2-N 2.89Å; G340-H342 PolarHBondContact O-N 2.98Å; G340-H342 VanDerWaalsContact O-N 3.11Å; H342-G346 CarbonylContact O-C 3.36Å; H342-G346 WeakPolarHBondContact O-CA 3.46Å; H342-G346 PolarHBondContact O-N 2.96Å; H342-M347 WeakPolarHBondContact NE2-CG 3.47Å; H342-M347 PolarHBondContact O-N 3.44Å
343N98.8Very high98.6Very high0 Ų019.5 Ų19.50%010%0.097CC..Iπ-helixtrans-80.2-35.7-172.7-46.5-58.5000112.3S318 G321 Y322 T326 G340 V341 M347 P348S318-N343 VanDerWaalsContact CB-O 3.25Å; S318-N343 WeakPolarHBondContact CB-O 3.28Å; S318-N343 PolarHBondContact OG-O 2.99Å; G321-N343 VanDerWaalsContact C-CG 3.43Å; G321-N343 VanDerWaalsContact CA-OD1 3.26Å; G321-N343 WeakPolarHBondContact CA-OD1 3.48Å; G321-N343 PolarHBondContact O-OD1 2.75Å; Y322-N343 HydrophobicContact CD2-CB 3.57Å; Y322-N343 HydrophobicContact CE2-CB 3.48Å; Y322-N343 VanDerWaalsContact CE2-CB 3.48Å; Y322-N343 HydrophobicContact CG-CB 4.13Å; T326-N343 PolarHBondContact OG1-ND2 3.43Å; G340-N343 WeakPolarHBondContact CA-ND2 3.35Å; G340-N343 WeakPolarHBondContact O-CB 3.39Å; G340-N343 PolarHBondContact O-N 2.98Å; G340-N343 PolarHBondContact O-ND2 3.05Å; V341-N343 VanDerWaalsContact C-N 3.27Å; V341-N343 PolarHBondContact O-N 2.91Å; N343-M347 HydrophobicContact CB-CE 4.19Å; N343-P348 WeakPolarHBondContact O-CD 3.44Å; N343-P348 WeakPolarHBondContact O-CG 3.03Å
344L98.8Very high98.7Very high2 Ų217.9 Ų17.91%0.019%0.093CC..Iπ-helixtrans-86.6-47.8177.7171.353.2000112.6N285 L288 A289 V292 G340 P348N285-L344 HydrophobicContact CB-CD2 4.27Å; N285-L344 WeakPolarHBondContact O-CD1 3.46Å; L288-L344 HydrophobicContact CB-CD1 3.61Å; L288-L344 HydrophobicContact CB-CD2 4.28Å; L288-L344 HydrophobicContact CD1-CD2 4.14Å; A289-L344 HydrophobicContact CB-CD1 4.23Å; V292-L344 HydrophobicContact CG2-CD1 4.16Å; G340-L344 PolarHBondContact O-N 3.36Å; L344-P348 WeakPolarHBondContact O-CB 3.32Å; L344-P348 VanDerWaalsContact O-CD 3.31Å; L344-P348 WeakPolarHBondContact O-CD 3.44Å; L344-P348 WeakPolarHBondContact O-CG 3.49Å
345H98.9Very high98.7Very high6 Ų615.6 Ų15.63%0.0288%0.084CC..Iπ-helixtrans-103.1-42.9-171.8-58.5-68.7000112.5F75 I138 H186 A190 V341 G349F75-H345 AromaticContact CE1-NE2 3.92Å; I138-H345 HydrophobicContact CD1-CB 4.29Å; I138-H345 HydrophobicContact CG2-CB 3.78Å; H186-H345 HydrophobicContact CB-CB 4.18Å; H186-H345 AromaticContact CE1-ND1 3.72Å; H186-H345 AromaticContact ND1-CE1 3.88Å; H186-H345 AromaticContact ND1-CG 3.97Å; H186-H345 AromaticContact ND1-ND1 3.06Å; H186-H345 PolarHBondContact ND1-ND1 2.78Å; A190-H345 HydrophobicContact CB-CB 3.89Å; V341-H345 WeakPolarHBondContact O-CA 3.5Å; V341-H345 WeakPolarHBondContact O-CB 3.28Å; V341-H345 PolarHBondContact O-N 3.4Å; H345-G349 VanDerWaalsContact O-CA 3.24Å; H345-G349 WeakPolarHBondContact O-CA 3.48Å; H345-G349 PolarHBondContact O-N 2.94Å
346G98.8Very high98.7Very high0 Ų014.8 Ų14.80%08%0.08CC..Iπ-helixtrans-67.3-64.6-174.400000114A190 V341 H342 G349 V350A190-G346 VanDerWaalsContact CB-CA 3.47Å; V341-G346 PolarHBondContact O-N 3.5Å; H342-G346 CarbonylContact O-C 3.36Å; H342-G346 WeakPolarHBondContact O-CA 3.46Å; H342-G346 PolarHBondContact O-N 2.96Å; G346-G349 PolarHBondContact O-N 3.39Å; G346-V350 WeakPolarHBondContact O-CG2 3.45Å; G346-V350 PolarHBondContact O-N 2.98Å
347M98.6Very high98.7Very high36 Ų3615.8 Ų15.818%0.1779%0.086CC..Hα-helixtrans-65.1-48.8179.7-62.1-172.1-73.200111.8V317 F325 H342 N343 G349 V350 L351V317-M347 HydrophobicContact CG1-CE 4.35Å; V317-M347 HydrophobicContact CG1-SD 4.32Å; F325-M347 HydrophobicContact CD1-SD 4.49Å; H342-M347 WeakPolarHBondContact NE2-CG 3.47Å; H342-M347 PolarHBondContact O-N 3.44Å; N343-M347 HydrophobicContact CB-CE 4.19Å; M347-G349 VanDerWaalsContact C-N 3.27Å; M347-G349 PolarHBondContact O-N 3.04Å; M347-V350 PolarHBondContact O-N 3.21Å; M347-L351 WeakPolarHBondContact O-CG 3.31Å; M347-L351 PolarHBondContact O-N 3.34Å
348P98.9Very high98.7Very high0 Ų020.2 Ų20.20%011%0.109CC..Hα-helixtrans-65-31.1178.1-25.340.3000112.6A289 V292 N343 L344 L351 G352A289-P348 HydrophobicContact CB-CB 4.21Å; A289-P348 HydrophobicContact CB-CG 3.85Å; V292-P348 HydrophobicContact CB-CB 3.98Å; V292-P348 HydrophobicContact CG1-CB 3.79Å; N343-P348 WeakPolarHBondContact O-CD 3.44Å; N343-P348 WeakPolarHBondContact O-CG 3.03Å; L344-P348 WeakPolarHBondContact O-CB 3.32Å; L344-P348 VanDerWaalsContact O-CD 3.31Å; L344-P348 WeakPolarHBondContact O-CD 3.44Å; L344-P348 WeakPolarHBondContact O-CG 3.49Å; P348-L351 PolarHBondContact O-N 3.49Å; P348-G352 PolarHBondContact O-N 3.14Å
349G98.9Very high98.7Very high0 Ų020.2 Ų20.20%011%0.109CC..Hα-helixtrans-64.6-46174.100000112.4S182 T187 H345 G346 M347 G352 A353S182-G349 WeakPolarHBondContact O-CA 3.35Å; T187-G349 PolarHBondContact OG1-O 3.46Å; H345-G349 VanDerWaalsContact O-CA 3.24Å; H345-G349 WeakPolarHBondContact O-CA 3.48Å; H345-G349 PolarHBondContact O-N 2.94Å; G346-G349 PolarHBondContact O-N 3.39Å; M347-G349 VanDerWaalsContact C-N 3.27Å; M347-G349 PolarHBondContact O-N 3.04Å; G349-G352 PolarHBondContact O-N 3.05Å; G349-A353 PolarHBondContact O-N 3.25Å
350V98.9Very high98.7Very high33 Ų3319.5 Ų19.520%0.211%0.105CC..Hα-helixtrans-63.3-44.5174.1171.30000111T187 Y191 G346 M347 G352 A353 L354 L397T187-V350 HydrophobicContact CG2-CG2 4.11Å; T187-V350 PolarHBondContact OG1-N 3.02Å; Y191-V350 HydrophobicContact CE2-CG2 3.71Å; G346-V350 WeakPolarHBondContact O-CG2 3.45Å; G346-V350 PolarHBondContact O-N 2.98Å; M347-V350 PolarHBondContact O-N 3.21Å; V350-G352 VanDerWaalsContact C-N 3.28Å; V350-G352 PolarHBondContact O-N 3.34Å; V350-A353 WeakPolarHBondContact O-CB 3.37Å; V350-A353 PolarHBondContact O-N 3.21Å; V350-L354 HydrophobicContact CG1-CD1 4.27Å; V350-L354 WeakPolarHBondContact O-CG 3.28Å; V350-L354 PolarHBondContact O-N 3.18Å; V350-L397 HydrophobicContact CG1-CD2 4.36Å; V350-L397 HydrophobicContact CG2-CD1 4.31Å
351L98.8Very high98.7Very high57 Ų5720.9 Ų20.930%0.29812%0.118SC..Hα-helixtrans-60.8-39.2175.5-70.9174.7000111.6V293 V317 M347 P348 L354 L355V293-L351 HydrophobicContact CG2-CB 3.93Å; V317-L351 HydrophobicContact CG1-CD1 4.26Å; M347-L351 WeakPolarHBondContact O-CG 3.31Å; M347-L351 PolarHBondContact O-N 3.34Å; P348-L351 PolarHBondContact O-N 3.49Å; L351-L354 PolarHBondContact O-N 2.93Å; L351-L355 WeakPolarHBondContact O-CB 3.33Å; L351-L355 PolarHBondContact O-N 3.48Å
352G98.9Very high98.7Very high0 Ų026.2 Ų26.20%015%0.146CC..Hα-helixtrans-68.4-38.3177.600000113.4V293 P348 G349 V350 L355 G356V293-G352 WeakPolarHBondContact O-CA 3.28Å; P348-G352 PolarHBondContact O-N 3.14Å; G349-G352 PolarHBondContact O-N 3.05Å; V350-G352 VanDerWaalsContact C-N 3.28Å; V350-G352 PolarHBondContact O-N 3.34Å; G352-L355 PolarHBondContact O-N 3.5Å; G352-G356 PolarHBondContact O-N 3.25Å
353A98.8Very high98.6Very high0 Ų025.8 Ų25.80%015%0.145CC..Hα-helixtrans-60.3-46.4171.200000111.5M183 G349 V350 L355 G356 V357 L397M183-A353 HydrophobicContact CG-CB 3.37Å; M183-A353 HydrophobicContact SD-CB 3.83Å; G349-A353 PolarHBondContact O-N 3.25Å; V350-A353 WeakPolarHBondContact O-CB 3.37Å; V350-A353 PolarHBondContact O-N 3.21Å; A353-L355 VanDerWaalsContact C-N 3.34Å; A353-L355 PolarHBondContact O-N 3.14Å; A353-G356 CarbonylContact O-C 3.48Å; A353-G356 WeakPolarHBondContact O-CA 3.07Å; A353-G356 PolarHBondContact O-N 3.34Å; A353-G356 VanDerWaalsContact O-N 3.15Å; A353-V357 WeakPolarHBondContact O-CG2 3.29Å; A353-V357 PolarHBondContact O-N 2.86Å; A353-L397 HydrophobicContact CB-CB 4.25Å; A353-L397 HydrophobicContact CB-CD1 3.87Å; A353-L397 HydrophobicContact CB-CD2 4Å; A353-L397 HydrophobicContact CB-CG 4.25Å
354L98.9Very high98.5Very high81 Ų8128.9 Ų28.942%0.42416%0.164SC..Hα-helixtrans-65.4-36.5177.2-66.3175.8000112.4V350 L351 G356 V357 L358 L394 L397V350-L354 HydrophobicContact CG1-CD1 4.27Å; V350-L354 WeakPolarHBondContact O-CG 3.28Å; V350-L354 PolarHBondContact O-N 3.18Å; L351-L354 PolarHBondContact O-N 2.93Å; L354-G356 VanDerWaalsContact C-N 3.34Å; L354-V357 WeakPolarHBondContact O-CB 3.31Å; L354-V357 PolarHBondContact O-N 3.05Å; L354-L358 PolarHBondContact O-N 3.46Å; L354-L394 HydrophobicContact CD2-CD1 4.08Å; L354-L397 HydrophobicContact CD2-CD2 4.27Å
355L98.8Very high98.3Very high32 Ų3234 Ų3417%0.16819%0.188CC..Hα-helixtrans-63.7-41.6171.4-178.860.6000110.9S297 L302 A310 L351 G352 A353 V357 L358 V359S297-L355 VanDerWaalsContact OG-CD2 3.28Å; S297-L355 WeakPolarHBondContact OG-CD2 3.44Å; L302-L355 HydrophobicContact CD1-CD1 3.86Å; L302-L355 HydrophobicContact CD1-CD2 3.96Å; L302-L355 HydrophobicContact CD1-CG 4.11Å; L302-L355 HydrophobicContact CD2-CD2 4.32Å; A310-L355 HydrophobicContact CB-CD2 3.67Å; L351-L355 WeakPolarHBondContact O-CB 3.33Å; L351-L355 PolarHBondContact O-N 3.48Å; G352-L355 PolarHBondContact O-N 3.5Å; A353-L355 VanDerWaalsContact C-N 3.34Å; A353-L355 PolarHBondContact O-N 3.14Å; L355-V357 PolarHBondContact O-N 2.93Å; L355-L358 WeakPolarHBondContact O-CB 3.28Å; L355-L358 PolarHBondContact O-N 2.92Å; L355-V359 HydrophobicContact CD1-CG2 4.15Å; L355-V359 HydrophobicContact CG-CG2 4.45Å; L355-V359 WeakPolarHBondContact O-CG2 3.35Å; L355-V359 PolarHBondContact O-N 3.42Å
356G98.8Very high98.1Very high0 Ų042.8 Ų42.80%023%0.229CC..Hα-helixtrans-61.5-39.5173.200000113.4G352 A353 L354 A360G352-G356 PolarHBondContact O-N 3.25Å; A353-G356 CarbonylContact O-C 3.48Å; A353-G356 WeakPolarHBondContact O-CA 3.07Å; A353-G356 PolarHBondContact O-N 3.34Å; A353-G356 VanDerWaalsContact O-N 3.15Å; L354-G356 VanDerWaalsContact C-N 3.34Å; G356-A360 WeakPolarHBondContact O-CB 3.35Å; G356-A360 PolarHBondContact O-N 3.4Å
357V98.8Very high97.9Very high27 Ų2745 Ų4516%0.16425%0.247CC..Hα-helixtrans-58.4-49.2171.9171.80000110.4A353 L354 L355 G361 A390 Q393 L394A353-V357 WeakPolarHBondContact O-CG2 3.29Å; A353-V357 PolarHBondContact O-N 2.86Å; L354-V357 WeakPolarHBondContact O-CB 3.31Å; L354-V357 PolarHBondContact O-N 3.05Å; L355-V357 PolarHBondContact O-N 2.93Å; V357-G361 PolarHBondContact O-N 3.46Å; V357-A390 HydrophobicContact CG1-CB 4.14Å; V357-A390 WeakPolarHBondContact O-CB 3.31Å; V357-Q393 HydrophobicContact CB-CB 4.45Å; V357-Q393 HydrophobicContact CG2-CB 3.64Å; V357-L394 HydrophobicContact CG1-CB 4.42Å; V357-L394 HydrophobicContact CG2-CB 3.77Å; V357-L394 HydrophobicContact CG2-CD1 4.47Å
358L98.6Very high97.8Very high103 Ų10344.5 Ų44.554%0.53924%0.244SC..Hα-helixtrans-60.7-52.218017663.2000111.5L354 L355 A360 G361 L362L354-L358 PolarHBondContact O-N 3.46Å; L355-L358 WeakPolarHBondContact O-CB 3.28Å; L355-L358 PolarHBondContact O-N 2.92Å; L358-A360 PolarHBondContact O-N 3.49Å; L358-G361 PolarHBondContact O-N 2.92Å; L358-L362 HydrophobicContact CD1-CD1 4.07Å; L358-L362 HydrophobicContact CD1-CG 4.47Å; L358-L362 HydrophobicContact CG-CD1 4.21Å; L358-L362 WeakPolarHBondContact O-CG 3.17Å; L358-L362 PolarHBondContact O-N 2.95Å; L358-L362 VanDerWaalsContact O-N 3.16Å
359V98.3Very high97.5Very high11 Ų1146.2 Ų46.27%0.06726%0.261CS..Hα-helixtrans-68.6-36.4-175.8-177.70000111.6M300 L302 L355 G361 L362 A363M300-V359 HydrophobicContact CB-CB 4.37Å; M300-V359 HydrophobicContact CB-CG1 3.46Å; M300-V359 VanDerWaalsContact CB-CG1 3.46Å; M300-V359 HydrophobicContact CG-CG1 4.33Å; M300-V359 HydrophobicContact SD-CB 3.89Å; M300-V359 HydrophobicContact SD-CG1 3.94Å; L302-V359 HydrophobicContact CD1-CG2 3.82Å; L355-V359 HydrophobicContact CD1-CG2 4.15Å; L355-V359 HydrophobicContact CG-CG2 4.45Å; L355-V359 WeakPolarHBondContact O-CG2 3.35Å; L355-V359 PolarHBondContact O-N 3.42Å; V359-G361 VanDerWaalsContact C-N 3.32Å; V359-G361 PolarHBondContact O-N 3.46Å; V359-L362 PolarHBondContact O-N 2.94Å; V359-A363 PolarHBondContact O-N 3.31Å
360A98.5Very high97.2Very high0 Ų053.8 Ų53.80%030%0.301CS..Hα-helixtrans-63.6-38.4172.300000112M300 G356 L358 L362 A363 F376 Q389 Q393M300-A360 HydrophobicContact CE-CB 4.44Å; M300-A360 HydrophobicContact SD-CB 4.41Å; G356-A360 WeakPolarHBondContact O-CB 3.35Å; G356-A360 PolarHBondContact O-N 3.4Å; L358-A360 PolarHBondContact O-N 3.49Å; A360-L362 PolarHBondContact O-N 3.36Å; A360-A363 VanDerWaalsContact O-CB 3.31Å; A360-A363 WeakPolarHBondContact O-CB 3.28Å; A360-A363 PolarHBondContact O-N 3.02Å; A360-F376 HydrophobicContact CB-CE1 4.04Å; A360-F376 HydrophobicContact CB-CZ 3.88Å; A360-Q389 HydrophobicContact CB-CG 4.2Å; A360-Q393 HydrophobicContact CB-CG 4.03Å
361G98.3Very high97Very high30 Ų3053.8 Ų53.831%0.30931%0.309SS..Hα-helixtrans-67.5-21.6176.800000114V357 L358 V359V357-G361 PolarHBondContact O-N 3.46Å; L358-G361 PolarHBondContact O-N 2.92Å; V359-G361 VanDerWaalsContact C-N 3.32Å; V359-G361 PolarHBondContact O-N 3.46Å
362L97.6Very high96.8Very high118 Ų11851.1 Ų51.162%0.61830%0.295SS*.THydrogen-bonded Turntrans-95.53.8176.7-64.1173.6000113.2L358 V359 A360 T364L358-L362 HydrophobicContact CD1-CD1 4.07Å; L358-L362 HydrophobicContact CD1-CG 4.47Å; L358-L362 HydrophobicContact CG-CD1 4.21Å; L358-L362 WeakPolarHBondContact O-CG 3.17Å; L358-L362 PolarHBondContact O-N 2.95Å; L358-L362 VanDerWaalsContact O-N 3.16Å; V359-L362 PolarHBondContact O-N 2.94Å; A360-L362 PolarHBondContact O-N 3.36Å; L362-T364 PolarHBondContact O-N 3.46Å
363A97.5Very high96.7Very high6 Ų657 Ų575%0.0532%0.322CS..  trans-67.8127.1-178.900000111.7V359 A360 Y368 L372 F376 I379 A386V359-A363 PolarHBondContact O-N 3.31Å; A360-A363 VanDerWaalsContact O-CB 3.31Å; A360-A363 WeakPolarHBondContact O-CB 3.28Å; A360-A363 PolarHBondContact O-N 3.02Å; A363-Y368 HydrophobicContact CB-CE2 4.01Å; A363-L372 HydrophobicContact CB-CD1 4.39Å; A363-F376 HydrophobicContact CB-CD2 4.02Å; A363-F376 HydrophobicContact CB-CE2 3.98Å; A363-I379 HydrophobicContact CB-CD1 4.33Å; A363-A386 HydrophobicContact CB-CB 4.44Å; A363-A386 WeakPolarHBondContact O-CB 3.29Å
364T95.8Very high96.4Very high65 Ų6559.9 Ų59.940%0.39934%0.342SS..  trans-138157.1178.164.60000110.9L362 E366 A367 Y368L362-T364 PolarHBondContact O-N 3.46Å; T364-E366 PolarHBondContact O-N 2.97Å; T364-A367 PolarHBondContact O-N 3.27Å; T364-A367 WeakPolarHBondContact OG1-CB 3.15Å; T364-A367 PolarHBondContact OG1-N 2.9Å; T364-A367 VanDerWaalsContact OG1-N 3.16Å; T364-Y368 WeakPolarHBondContact O-CD2 3.44Å; T364-Y368 PolarHBondContact O-N 2.85Å
365H94.6Very high96.3Very high110 Ų11056.1 Ų56.151%0.50932%0.322SS..Hα-helixtrans-61.8-31.9171.8-78.9-88.8000112.5G369H365-G369 VanDerWaalsContact O-CA 3.28Å; H365-G369 WeakPolarHBondContact O-CA 3.48Å; H365-G369 PolarHBondContact O-N 3.15Å
366E95.4Very high96.2Very high189 Ų18954.7 Ų54.788%0.88332%0.315SS*.Hα-helixtrans-65.2-43.2177.1-175.7179.7-175.400111.9T364T364-E366 PolarHBondContact O-N 2.97Å
367A94.6Very high96.1Very high47 Ų4756.2 Ų56.239%0.38833%0.325SS..Hα-helixtrans-72.9-30.8-177.800000113.2M301 T364M301-A367 WeakPolarHBondContact CE-O 3.33Å; T364-A367 PolarHBondContact O-N 3.27Å; T364-A367 WeakPolarHBondContact OG1-CB 3.15Å; T364-A367 PolarHBondContact OG1-N 2.9Å; T364-A367 VanDerWaalsContact OG1-N 3.16Å
368Y95.3Very high96Very high26 Ų2657.4 Ų57.410%0.10233%0.33CS..Hα-helixtrans-108.4-20.8-172.6-73.6-107.2000114.3M301 A363 T364 G371 L372 V375 F376M301-Y368 HydrophobicContact CB-CD2 4.38Å; M301-Y368 HydrophobicContact CB-CE1 4.07Å; M301-Y368 HydrophobicContact CB-CE2 3.7Å; M301-Y368 HydrophobicContact CG-CD1 3.66Å; M301-Y368 HydrophobicContact CG-CD2 3.83Å; M301-Y368 HydrophobicContact CG-CE1 3.41Å; M301-Y368 VanDerWaalsContact CG-CE1 3.41Å; M301-Y368 HydrophobicContact CG-CE2 3.57Å; M301-Y368 HydrophobicContact CG-CG 3.86Å; M301-Y368 PolarHBondContact N-OH 3.06Å; A363-Y368 HydrophobicContact CB-CE2 4.01Å; T364-Y368 WeakPolarHBondContact O-CD2 3.44Å; T364-Y368 PolarHBondContact O-N 2.85Å; Y368-G371 WeakPolarHBondContact O-CA 3.49Å; Y368-G371 PolarHBondContact O-N 3.27Å; Y368-G371 VanDerWaalsContact O-N 3.12Å; Y368-L372 HydrophobicContact CD1-CD1 4.08Å; Y368-L372 HydrophobicContact CD2-CD1 3.91Å; Y368-L372 HydrophobicContact CE2-CD1 4.45Å; Y368-L372 HydrophobicContact CG-CB 4.36Å; Y368-L372 HydrophobicContact CG-CD1 3.72Å; Y368-V375 HydrophobicContact CE1-CB 4.35Å; Y368-V375 HydrophobicContact CE1-CG2 4.31Å; Y368-F376 HydrophobicContact CE1-CD2 4.37Å; Y368-F376 HydrophobicContact CE1-CE2 4.28Å
369G94.6Very high96Very high35 Ų3553.2 Ų53.236%0.36131%0.308SS..G310 helixtrans53.5-142.5-166.700000111.6H365 G371 L372H365-G369 VanDerWaalsContact O-CA 3.28Å; H365-G369 WeakPolarHBondContact O-CA 3.48Å; H365-G369 PolarHBondContact O-N 3.15Å; G369-G371 PolarHBondContact O-N 2.84Å; G369-L372 WeakPolarHBondContact O-CB 3.45Å; G369-L372 PolarHBondContact O-N 3.09Å; G369-L372 VanDerWaalsContact O-N 3.17Å
370D92.2Very high95.9Very high159 Ų15954 Ų5485%0.8532%0.316SS*.G310 helixtrans-64.4-19.1175.7-58.4-24.6000112.6L372 E373D370-L372 PolarHBondContact O-N 2.87Å; D370-L372 VanDerWaalsContact O-N 3.12Å; D370-E373 PolarHBondContact O-N 2.75Å
371G93.4Very high95.8Very high34 Ų3459.1 Ų59.135%0.35134%0.34SS..G310 helixtrans-65.3-11.7175.100000113.7Y368 G369 E373 S374Y368-G371 WeakPolarHBondContact O-CA 3.49Å; Y368-G371 PolarHBondContact O-N 3.27Å; Y368-G371 VanDerWaalsContact O-N 3.12Å; G369-G371 PolarHBondContact O-N 2.84Å; G371-E373 VanDerWaalsContact C-N 3.26Å; G371-E373 PolarHBondContact O-N 2.78Å; G371-S374 PolarHBondContact O-N 2.98Å; G371-S374 PolarHBondContact O-OG 2.75Å
372L95.9Very high95.6Very high1 Ų160.9 Ų60.91%0.00536%0.357CS..Hα-helixtrans-60.4-38.8178.1-171.761.2000111.3A363 Y368 G369 D370 S374 V375 F376 I379 A380A363-L372 HydrophobicContact CB-CD1 4.39Å; Y368-L372 HydrophobicContact CD1-CD1 4.08Å; Y368-L372 HydrophobicContact CD2-CD1 3.91Å; Y368-L372 HydrophobicContact CE2-CD1 4.45Å; Y368-L372 HydrophobicContact CG-CB 4.36Å; Y368-L372 HydrophobicContact CG-CD1 3.72Å; G369-L372 WeakPolarHBondContact O-CB 3.45Å; G369-L372 PolarHBondContact O-N 3.09Å; G369-L372 VanDerWaalsContact O-N 3.17Å; D370-L372 PolarHBondContact O-N 2.87Å; D370-L372 VanDerWaalsContact O-N 3.12Å; L372-S374 PolarHBondContact O-N 3.37Å; L372-V375 PolarHBondContact O-N 2.72Å; L372-F376 HydrophobicContact CD1-CB 4.09Å; L372-F376 HydrophobicContact CD1-CD2 3.97Å; L372-F376 CarbonylContact O-C 3.38Å; L372-F376 WeakPolarHBondContact O-CA 3.46Å; L372-F376 PolarHBondContact O-N 3.24Å; L372-I379 HydrophobicContact CD2-CG2 4.06Å; L372-A380 HydrophobicContact CB-CB 4.28Å; L372-A380 HydrophobicContact CD2-CB 4.28Å; L372-A380 HydrophobicContact CG-CB 4.13Å
373E95.3Very high95.6Very high124 Ų12461.6 Ų61.658%0.57936%0.358SS*.Hα-helixtrans-60.6-34.8-179.6-171.3-179173.200112D370 G371 V375 P377 A380D370-E373 PolarHBondContact O-N 2.75Å; G371-E373 VanDerWaalsContact C-N 3.26Å; G371-E373 PolarHBondContact O-N 2.78Å; E373-V375 VanDerWaalsContact C-N 3.33Å; E373-V375 PolarHBondContact O-N 3.15Å; E373-P377 WeakPolarHBondContact O-CA 3.4Å; E373-P377 WeakPolarHBondContact O-CB 3.49Å; E373-P377 WeakPolarHBondContact O-CD 3.49Å; E373-A380 HydrophobicContact CB-CB 3.92Å; E373-A380 HydrophobicContact CG-CB 4.44Å
374S94.3Very high95.6Very high59 Ų5963.7 Ų63.741%0.41336%0.364SS..Hα-helixtrans-68.9-27.9-179.171.90000114G371 L372G371-S374 PolarHBondContact O-N 2.98Å; G371-S374 PolarHBondContact O-OG 2.75Å; L372-S374 PolarHBondContact O-N 3.37Å
375V95.4Very high95.7Very high2 Ų263.8 Ų63.81%0.01237%0.368CS..Hα-helixtrans-106.8-39.8-177.4-172.70000111.3R177 E299 M300 Y368 L372 E373R177-V375 VanDerWaalsContact CD-O 3.24Å; R177-V375 WeakPolarHBondContact CD-O 3.4Å; R177-V375 PolarHBondContact NE-O 2.94Å; E299-V375 HydrophobicContact CG-CG1 4.28Å; M300-V375 HydrophobicContact CG-CG1 4.3Å; Y368-V375 HydrophobicContact CE1-CB 4.35Å; Y368-V375 HydrophobicContact CE1-CG2 4.31Å; L372-V375 PolarHBondContact O-N 2.72Å; E373-V375 VanDerWaalsContact C-N 3.33Å; E373-V375 PolarHBondContact O-N 3.15Å
376F97.4Very high95.9Very high3 Ų359.4 Ų59.41%0.01335%0.35CS..  trans-135.168.3-175.7-61-68.5000111.5R177 M300 A360 A363 Y368 L372 L378 I379 A380 Q389R177-F376 HydrophobicContact CB-CE1 4.32Å; R177-F376 HydrophobicContact CG-CD1 3.99Å; R177-F376 HydrophobicContact CG-CE1 3.75Å; M300-F376 HydrophobicContact CE-CE1 4.17Å; M300-F376 HydrophobicContact CE-CZ 3.75Å; M300-F376 HydrophobicContact CG-CE2 4.24Å; M300-F376 HydrophobicContact CG-CZ 3.91Å; M300-F376 HydrophobicContact SD-CZ 3.77Å; A360-F376 HydrophobicContact CB-CE1 4.04Å; A360-F376 HydrophobicContact CB-CZ 3.88Å; A363-F376 HydrophobicContact CB-CD2 4.02Å; A363-F376 HydrophobicContact CB-CE2 3.98Å; Y368-F376 HydrophobicContact CE1-CD2 4.37Å; Y368-F376 HydrophobicContact CE1-CE2 4.28Å; L372-F376 HydrophobicContact CD1-CB 4.09Å; L372-F376 HydrophobicContact CD1-CD2 3.97Å; L372-F376 CarbonylContact O-C 3.38Å; L372-F376 WeakPolarHBondContact O-CA 3.46Å; L372-F376 PolarHBondContact O-N 3.24Å; F376-L378 VanDerWaalsContact C-N 3.34Å; F376-L378 PolarHBondContact O-N 3.12Å; F376-I379 HydrophobicContact CB-CB 3.93Å; F376-I379 HydrophobicContact CB-CD1 3.69Å; F376-I379 HydrophobicContact CB-CG1 3.87Å; F376-I379 HydrophobicContact CD1-CD1 4.05Å; F376-I379 HydrophobicContact CD2-CD1 4.46Å; F376-I379 HydrophobicContact CG-CD1 3.84Å; F376-I379 WeakPolarHBondContact O-CB 3.34Å; F376-I379 PolarHBondContact O-N 3.14Å; F376-A380 PolarHBondContact O-N 3.06Å; F376-Q389 HydrophobicContact CD1-CG 3.8Å; F376-Q389 HydrophobicContact CE1-CG 3.77Å
377P96.4Very high96Very high32 Ų3255.1 Ų55.121%0.20834%0.337CS..Hα-helixtrans-56.4-44.3-175.420.9-32.5000112.8R177 E373 I379 A380 E381R177-P377 VanDerWaalsContact NH2-CG 3.27Å; E373-P377 WeakPolarHBondContact O-CA 3.4Å; E373-P377 WeakPolarHBondContact O-CB 3.49Å; E373-P377 WeakPolarHBondContact O-CD 3.49Å; P377-I379 PolarHBondContact O-N 3.32Å; P377-A380 WeakPolarHBondContact O-CB 3.39Å; P377-A380 PolarHBondContact O-N 3.43Å; P377-A380 VanDerWaalsContact O-N 3.09Å; P377-E381 WeakPolarHBondContact O-CG 3.31Å; P377-E381 PolarHBondContact O-N 2.93Å
378L97Very high96.2Very high52 Ų5255.3 Ų55.327%0.27234%0.336SS..Hα-helixtrans-65.2-25.4178.7-59.7177.3000113.4F376 Q383 R384F376-L378 VanDerWaalsContact C-N 3.34Å; F376-L378 PolarHBondContact O-N 3.12Å; L378-Q383 CarbonylContact O-C 3.58Å; L378-Q383 PolarHBondContact O-N 3.12Å; L378-R384 HydrophobicContact CB-CB 3.78Å; L378-R384 PolarHBondContact O-N 2.82Å
379I97.6Very high96.4Very high14 Ų1454.2 Ų54.27%0.07233%0.332CS..Hα-helixtrans-77.1-45.7172.2-56.2-179.1000109.7A363 L372 F376 P377 E381 G382 R384 A386 Q389A363-I379 HydrophobicContact CB-CD1 4.33Å; L372-I379 HydrophobicContact CD2-CG2 4.06Å; F376-I379 HydrophobicContact CB-CB 3.93Å; F376-I379 HydrophobicContact CB-CD1 3.69Å; F376-I379 HydrophobicContact CB-CG1 3.87Å; F376-I379 HydrophobicContact CD1-CD1 4.05Å; F376-I379 HydrophobicContact CD2-CD1 4.46Å; F376-I379 HydrophobicContact CG-CD1 3.84Å; F376-I379 WeakPolarHBondContact O-CB 3.34Å; F376-I379 PolarHBondContact O-N 3.14Å; P377-I379 PolarHBondContact O-N 3.32Å; I379-E381 PolarHBondContact O-N 3.4Å; I379-G382 PolarHBondContact O-N 3.38Å; I379-R384 VanDerWaalsContact CA-O 3.32Å; I379-R384 WeakPolarHBondContact CA-O 3.39Å; I379-A386 HydrophobicContact CD1-CB 4.34Å; I379-Q389 HydrophobicContact CD1-CB 3.83Å; I379-Q389 HydrophobicContact CD1-CG 4.16Å; I379-Q389 HydrophobicContact CG1-CB 4.41Å
380A97.1Very high96.6Very high29 Ų2953.1 Ų53.124%0.2432%0.319CS..Hα-helixtrans-59-36.5178.600000112.6L372 E373 F376 P377 G382L372-A380 HydrophobicContact CB-CB 4.28Å; L372-A380 HydrophobicContact CD2-CB 4.28Å; L372-A380 HydrophobicContact CG-CB 4.13Å; E373-A380 HydrophobicContact CB-CB 3.92Å; E373-A380 HydrophobicContact CG-CB 4.44Å; F376-A380 PolarHBondContact O-N 3.06Å; P377-A380 WeakPolarHBondContact O-CB 3.39Å; P377-A380 PolarHBondContact O-N 3.43Å; P377-A380 VanDerWaalsContact O-N 3.09Å; A380-G382 VanDerWaalsContact C-N 3.27Å; A380-G382 PolarHBondContact O-N 3.08Å
381E95.9Very high96.9Very high107 Ų10750.8 Ų50.850%0.530%0.304SS..THydrogen-bonded Turntrans-78.6-4.6176-68.1173.9-146.700113.9P377 I379 Q383P377-E381 WeakPolarHBondContact O-CG 3.31Å; P377-E381 PolarHBondContact O-N 2.93Å; I379-E381 PolarHBondContact O-N 3.4Å; E381-Q383 HydrophobicContact CB-CG 4.09Å; E381-Q383 PolarHBondContact O-N 3.18Å; E381-Q383 VanDerWaalsContact OE2-CD 3.25Å; E381-Q383 PolarHBondContact OE2-NE2 2.7Å
382G95.4Very high97.1Very high66 Ų6650.8 Ų50.868%0.6830%0.296SS*.THydrogen-bonded Turntrans71.39.3-176.600000114.9I379 A380I379-G382 PolarHBondContact O-N 3.38Å; A380-G382 VanDerWaalsContact C-N 3.27Å; A380-G382 PolarHBondContact O-N 3.08Å
383Q97Very high97.2Very high133 Ų13350.8 Ų50.862%0.62130%0.296SS*.SBendtrans-80.3-17.8179.3-65.4177.411.800113L378 E381L378-Q383 CarbonylContact O-C 3.58Å; L378-Q383 PolarHBondContact O-N 3.12Å; E381-Q383 HydrophobicContact CB-CG 4.09Å; E381-Q383 PolarHBondContact O-N 3.18Å; E381-Q383 VanDerWaalsContact OE2-CD 3.25Å; E381-Q383 PolarHBondContact OE2-NE2 2.7Å
384R96.9Very high97.4Very high50 Ų5046.9 Ų46.919%0.18928%0.279CS..SBendtrans-142.1136.1-179.2-173.8178-70.8-173.6-5.5110.2L174 L378 I379 L392L174-R384 PolarHBondContact O-NH1 3.41Å; L174-R384 PolarHBondContact O-NH2 3.41Å; L378-R384 HydrophobicContact CB-CB 3.78Å; L378-R384 PolarHBondContact O-N 2.82Å; I379-R384 VanDerWaalsContact CA-O 3.32Å; I379-R384 WeakPolarHBondContact CA-O 3.39Å; R384-L392 VanDerWaalsContact NH1-CD1 3.32Å
385S98.3Very high97.6Very high67 Ų6749.2 Ų49.247%0.46928%0.282SS..  trans-80.6156.5172.368.40000111.8T387 S388 Q389S385-T387 VanDerWaalsContact C-N 3.27Å; S385-T387 PolarHBondContact O-N 3.46Å; S385-S388 WeakPolarHBondContact O-CB 3.21Å; S385-S388 PolarHBondContact O-N 2.57Å; S385-S388 WeakPolarHBondContact OG-CB 3.33Å; S385-S388 PolarHBondContact OG-N 3.39Å; S385-S388 VanDerWaalsContact OG-N 3.1Å; S385-Q389 PolarHBondContact O-N 3.22Å
386A98.2Very high97.8Very high18 Ų1849.1 Ų49.115%0.14928%0.281CS..Hα-helixtrans-55.7-41.4172.800000112.4A363 I379 S388 Q389 A390A363-A386 HydrophobicContact CB-CB 4.44Å; A363-A386 WeakPolarHBondContact O-CB 3.29Å; I379-A386 HydrophobicContact CD1-CB 4.34Å; A386-S388 PolarHBondContact O-N 3.31Å; A386-Q389 PolarHBondContact O-N 3.42Å; A386-A390 WeakPolarHBondContact O-CB 3.44Å; A386-A390 PolarHBondContact O-N 3.17Å
387T98.3Very high97.9Very high99 Ų9949.3 Ų49.361%0.60728%0.283SS*.Hα-helixtrans-61.5-42.9174.3-48.10000111.9S385 Q389 A390 M391S385-T387 VanDerWaalsContact C-N 3.27Å; S385-T387 PolarHBondContact O-N 3.46Å; T387-Q389 VanDerWaalsContact C-N 3.34Å; T387-Q389 PolarHBondContact O-N 3.37Å; T387-A390 PolarHBondContact O-N 3.09Å; T387-M391 WeakPolarHBondContact O-CG 3.38Å; T387-M391 PolarHBondContact O-N 2.99Å
388S98.4Very high98Very high51 Ų5153.7 Ų53.736%0.35730%0.298SS..Hα-helixtrans-64.6-39.6176.5-175.80000111.6S385 A386 M391 L392S385-S388 WeakPolarHBondContact O-CB 3.21Å; S385-S388 PolarHBondContact O-N 2.57Å; S385-S388 WeakPolarHBondContact OG-CB 3.33Å; S385-S388 PolarHBondContact OG-N 3.39Å; S385-S388 VanDerWaalsContact OG-N 3.1Å; A386-S388 PolarHBondContact O-N 3.31Å; S388-M391 PolarHBondContact O-N 2.9Å; S388-L392 WeakPolarHBondContact O-CG 3.45Å; S388-L392 PolarHBondContact O-N 3.09Å; S388-L392 VanDerWaalsContact O-N 3.07Å
389Q98.7Very high98.1Very high4 Ų451.8 Ų51.82%0.01929%0.289CS..Hα-helixtrans-63.1-45.9174.7-176.164.138.200111.1G175 A360 F376 I379 S385 A386 T387 M391 L392 Q393G175-Q389 PolarHBondContact O-NE2 2.7Å; A360-Q389 HydrophobicContact CB-CG 4.2Å; F376-Q389 HydrophobicContact CD1-CG 3.8Å; F376-Q389 HydrophobicContact CE1-CG 3.77Å; I379-Q389 HydrophobicContact CD1-CB 3.83Å; I379-Q389 HydrophobicContact CD1-CG 4.16Å; I379-Q389 HydrophobicContact CG1-CB 4.41Å; S385-Q389 PolarHBondContact O-N 3.22Å; A386-Q389 PolarHBondContact O-N 3.42Å; T387-Q389 VanDerWaalsContact C-N 3.34Å; T387-Q389 PolarHBondContact O-N 3.37Å; Q389-M391 VanDerWaalsContact C-N 3.3Å; Q389-M391 PolarHBondContact O-N 2.75Å; Q389-L392 PolarHBondContact O-N 3.22Å; Q389-L392 VanDerWaalsContact O-N 3.07Å; Q389-Q393 WeakPolarHBondContact O-CG 3.46Å; Q389-Q393 PolarHBondContact O-N 2.67Å
390A98.7Very high98.1Very high11 Ų1151.1 Ų51.19%0.09129%0.285CS..Hα-helixtrans-58.1-41.5176.500000112.3V357 A386 T387 L392 Q393 L394V357-A390 HydrophobicContact CG1-CB 4.14Å; V357-A390 WeakPolarHBondContact O-CB 3.31Å; A386-A390 WeakPolarHBondContact O-CB 3.44Å; A386-A390 PolarHBondContact O-N 3.17Å; T387-A390 PolarHBondContact O-N 3.09Å; A390-L392 VanDerWaalsContact C-N 3.32Å; A390-L392 PolarHBondContact O-N 3.22Å; A390-Q393 WeakPolarHBondContact O-CB 3.39Å; A390-Q393 PolarHBondContact O-N 3.42Å; A390-L394 PolarHBondContact O-N 2.7Å
391M98.7Very high98.2Very high110 Ų11051.8 Ų51.854%0.54229%0.285SS..Hα-helixtrans-64.9-35.9175.1-72.4-53.2-49.800112.7T387 S388 Q389 L394 F395T387-M391 WeakPolarHBondContact O-CG 3.38Å; T387-M391 PolarHBondContact O-N 2.99Å; S388-M391 PolarHBondContact O-N 2.9Å; Q389-M391 VanDerWaalsContact C-N 3.3Å; Q389-M391 PolarHBondContact O-N 2.75Å; M391-L394 HydrophobicContact CE-CD2 4.17Å; M391-L394 PolarHBondContact O-N 3.39Å; M391-F395 WeakPolarHBondContact O-CB 3.4Å; M391-F395 PolarHBondContact O-N 3.28Å
392L98.7Very high98.3Very high35 Ų3551.5 Ų51.518%0.18329%0.285CS..Hα-helixtrans-70.3-36.8174.7-70.9167.9000112.3L174 V176 R384 S388 Q389 A390 L394 F395 G396L174-L392 HydrophobicContact CD2-CD2 4.13Å; V176-L392 WeakPolarHBondContact CG2-O 3.43Å; R384-L392 VanDerWaalsContact NH1-CD1 3.32Å; S388-L392 WeakPolarHBondContact O-CG 3.45Å; S388-L392 PolarHBondContact O-N 3.09Å; S388-L392 VanDerWaalsContact O-N 3.07Å; Q389-L392 PolarHBondContact O-N 3.22Å; Q389-L392 VanDerWaalsContact O-N 3.07Å; A390-L392 VanDerWaalsContact C-N 3.32Å; A390-L392 PolarHBondContact O-N 3.22Å; L392-L394 VanDerWaalsContact C-N 3.32Å; L392-L394 PolarHBondContact O-N 3.28Å; L392-F395 PolarHBondContact O-N 3.34Å; L392-G396 PolarHBondContact O-N 2.91Å
393Q98.8Very high98.5Very high0 Ų050.3 Ų50.30%026%0.261CS..Hα-helixtrans-57.3-47.8169.9-63.3-68.378.200110.5R177 V357 A360 Q389 A390 F395 G396 L397R177-Q393 PolarHBondContact O-NE2 2.76Å; V357-Q393 HydrophobicContact CB-CB 4.45Å; V357-Q393 HydrophobicContact CG2-CB 3.64Å; A360-Q393 HydrophobicContact CB-CG 4.03Å; Q389-Q393 WeakPolarHBondContact O-CG 3.46Å; Q389-Q393 PolarHBondContact O-N 2.67Å; A390-Q393 WeakPolarHBondContact O-CB 3.39Å; A390-Q393 PolarHBondContact O-N 3.42Å; Q393-F395 PolarHBondContact O-N 2.98Å; Q393-G396 PolarHBondContact O-N 2.7Å; Q393-L397 PolarHBondContact O-N 3.39Å; Q393-L397 VanDerWaalsContact O-N 3.14Å
394L98.8Very high98.6Very high43 Ų4344 Ų4423%0.22523%0.231CC..Hα-helixtrans-65.4-40.8180-179.360.5000111.5L354 V357 A390 M391 L392 G396 L397 F398L354-L394 HydrophobicContact CD2-CD1 4.08Å; V357-L394 HydrophobicContact CG1-CB 4.42Å; V357-L394 HydrophobicContact CG2-CB 3.77Å; V357-L394 HydrophobicContact CG2-CD1 4.47Å; A390-L394 PolarHBondContact O-N 2.7Å; M391-L394 HydrophobicContact CE-CD2 4.17Å; M391-L394 PolarHBondContact O-N 3.39Å; L392-L394 VanDerWaalsContact C-N 3.32Å; L392-L394 PolarHBondContact O-N 3.28Å; L394-G396 VanDerWaalsContact C-N 3.34Å; L394-L397 WeakPolarHBondContact O-CB 3.34Å; L394-L397 PolarHBondContact O-N 2.81Å; L394-F398 HydrophobicContact CD1-CD2 4.5Å; L394-F398 HydrophobicContact CD1-CE2 3.87Å; L394-F398 HydrophobicContact CD2-CE2 4.47Å; L394-F398 HydrophobicContact CG-CD2 4.35Å; L394-F398 HydrophobicContact CG-CE2 3.86Å; L394-F398 WeakPolarHBondContact O-CD2 3.46Å; L394-F398 PolarHBondContact O-N 3.04Å
395F98.7Very high98.7Very high108 Ų10844 Ų4447%0.47424%0.239SC..Hα-helixtrans-63.3-40.9174.9-175.5-113.9000111.7L174 M391 L392 Q393 L397 F398 V399L174-F395 HydrophobicContact CD1-CD1 3.68Å; L174-F395 HydrophobicContact CD1-CE1 3.99Å; L174-F395 HydrophobicContact CD2-CD1 3.97Å; L174-F395 HydrophobicContact CD2-CE1 4.02Å; L174-F395 HydrophobicContact CG-CD1 4.49Å; M391-F395 WeakPolarHBondContact O-CB 3.4Å; M391-F395 PolarHBondContact O-N 3.28Å; L392-F395 PolarHBondContact O-N 3.34Å; Q393-F395 PolarHBondContact O-N 2.98Å; F395-L397 VanDerWaalsContact C-N 3.29Å; F395-L397 PolarHBondContact O-N 3.36Å; F395-F398 PolarHBondContact O-N 3.44Å; F395-F398 VanDerWaalsContact O-N 3.08Å; F395-V399 HydrophobicContact CD1-CG2 4.07Å; F395-V399 HydrophobicContact CE1-CG2 3.69Å; F395-V399 HydrophobicContact CE2-CG2 4.29Å; F395-V399 HydrophobicContact CZ-CG2 3.81Å; F395-V399 WeakPolarHBondContact O-CG2 3.45Å; F395-V399 PolarHBondContact O-N 3.34Å
396G98.8Very high98.7Very high0 Ų044.7 Ų44.70%024%0.24CC..Hα-helixtrans-56.8-39174.400000113.3L392 Q393 L394 V399 T400L392-G396 PolarHBondContact O-N 2.91Å; Q393-G396 PolarHBondContact O-N 2.7Å; L394-G396 VanDerWaalsContact C-N 3.34Å; G396-V399 PolarHBondContact O-N 3.34Å; G396-T400 WeakPolarHBondContact O-CB 3.5Å; G396-T400 PolarHBondContact O-N 3.06Å; G396-T400 PolarHBondContact O-OG1 2.89Å
397L98.9Very high98.7Very high7 Ų743.9 Ų43.94%0.03723%0.234CC..Hα-helixtrans-60.1-46.3173173.861.7000111.9M183 T187 V350 A353 L354 Q393 L394 F395 T400 L401M183-L397 HydrophobicContact CG-CB 4.46Å; M183-L397 HydrophobicContact CG-CD1 4.38Å; M183-L397 HydrophobicContact SD-CB 4.04Å; T187-L397 HydrophobicContact CG2-CD1 3.87Å; V350-L397 HydrophobicContact CG1-CD2 4.36Å; V350-L397 HydrophobicContact CG2-CD1 4.31Å; A353-L397 HydrophobicContact CB-CB 4.25Å; A353-L397 HydrophobicContact CB-CD1 3.87Å; A353-L397 HydrophobicContact CB-CD2 4Å; A353-L397 HydrophobicContact CB-CG 4.25Å; L354-L397 HydrophobicContact CD2-CD2 4.27Å; Q393-L397 PolarHBondContact O-N 3.39Å; Q393-L397 VanDerWaalsContact O-N 3.14Å; L394-L397 WeakPolarHBondContact O-CB 3.34Å; L394-L397 PolarHBondContact O-N 2.81Å; F395-L397 VanDerWaalsContact C-N 3.29Å; F395-L397 PolarHBondContact O-N 3.36Å; L397-T400 WeakPolarHBondContact O-CB 3.45Å; L397-T400 PolarHBondContact O-N 3.5Å; L397-L401 HydrophobicContact CD1-CD1 4.16Å; L397-L401 HydrophobicContact CD1-CG 4.29Å; L397-L401 HydrophobicContact CG-CD1 4.18Å; L397-L401 WeakPolarHBondContact O-CG 3.48Å; L397-L401 PolarHBondContact O-N 3.38Å
398F98.8Very high98.7Very high123 Ų12339.2 Ų39.254%0.53921%0.205SC..Hα-helixtrans-66.2-39.4178.3-71.9-65.1000112.7L394 F395 T400 L401 M402L394-F398 HydrophobicContact CD1-CD2 4.5Å; L394-F398 HydrophobicContact CD1-CE2 3.87Å; L394-F398 HydrophobicContact CD2-CE2 4.47Å; L394-F398 HydrophobicContact CG-CD2 4.35Å; L394-F398 HydrophobicContact CG-CE2 3.86Å; L394-F398 WeakPolarHBondContact O-CD2 3.46Å; L394-F398 PolarHBondContact O-N 3.04Å; F395-F398 PolarHBondContact O-N 3.44Å; F395-F398 VanDerWaalsContact O-N 3.08Å; F398-T400 VanDerWaalsContact C-N 3.33Å; F398-L401 PolarHBondContact O-N 2.91Å; F398-M402 WeakPolarHBondContact O-CB 3.4Å; F398-M402 PolarHBondContact O-N 2.89Å
399V98.8Very high98.7Very high12 Ų1237.6 Ų37.67%0.07320%0.197CC..Hα-helixtrans-59.5-46.4173.6171.20000110.3V169 L170 F395 G396 M402 F403V169-V399 HydrophobicContact CG1-CG1 3.98Å; L170-V399 HydrophobicContact CD1-CB 3.98Å; L170-V399 HydrophobicContact CD1-CG1 3.67Å; F395-V399 HydrophobicContact CD1-CG2 4.07Å; F395-V399 HydrophobicContact CE1-CG2 3.69Å; F395-V399 HydrophobicContact CE2-CG2 4.29Å; F395-V399 HydrophobicContact CZ-CG2 3.81Å; F395-V399 WeakPolarHBondContact O-CG2 3.45Å; F395-V399 PolarHBondContact O-N 3.34Å; G396-V399 PolarHBondContact O-N 3.34Å; V399-M402 WeakPolarHBondContact O-CB 3.39Å; V399-M402 PolarHBondContact O-N 2.95Å; V399-F403 HydrophobicContact CG1-CD2 3.66Å; V399-F403 HydrophobicContact CG1-CE2 3.65Å; V399-F403 WeakPolarHBondContact O-CD2 3.27Å; V399-F403 PolarHBondContact O-N 3.34Å
400T98.9Very high98.7Very high0 Ų042.1 Ų42.10%022%0.22CC..Hα-helixtrans-58.5-50.7176.9-66.70000112.1N166 L170 M183 T187 F188 G396 L397 F398 M402 F403 A404N166-T400 PolarHBondContact ND2-OG1 2.87Å; N166-T400 VanDerWaalsContact OD1-CA 3.27Å; N166-T400 WeakPolarHBondContact OD1-CA 3.4Å; N166-T400 PolarHBondContact OD1-OG1 3.44Å; L170-T400 VanDerWaalsContact CD2-OG1 3.23Å; L170-T400 WeakPolarHBondContact CD2-OG1 3.38Å; M183-T400 VanDerWaalsContact O-CG2 3.24Å; M183-T400 WeakPolarHBondContact O-CG2 3.19Å; T187-T400 HydrophobicContact CG2-CG2 3.97Å; F188-T400 HydrophobicContact CB-CG2 3.84Å; G396-T400 WeakPolarHBondContact O-CB 3.5Å; G396-T400 PolarHBondContact O-N 3.06Å; G396-T400 PolarHBondContact O-OG1 2.89Å; L397-T400 WeakPolarHBondContact O-CB 3.45Å; L397-T400 PolarHBondContact O-N 3.5Å; F398-T400 VanDerWaalsContact C-N 3.33Å; T400-M402 PolarHBondContact O-N 3.39Å; T400-F403 PolarHBondContact O-N 3.44Å; T400-A404 VanDerWaalsContact O-CB 3.22Å; T400-A404 WeakPolarHBondContact O-CB 3.36Å; T400-A404 PolarHBondContact O-N 2.94Å
401L98.9Very high98.7Very high43 Ų4341.6 Ų41.623%0.22522%0.216CC..Hα-helixtrans-60.6-35.8178.9-72.7169.2000112T187 Y191 L397 F398 S405T187-L401 HydrophobicContact CG2-CD2 3.63Å; T187-L401 HydrophobicContact CG2-CG 4.08Å; Y191-L401 HydrophobicContact CD1-CD2 4.41Å; Y191-L401 HydrophobicContact CD2-CD2 3.38Å; Y191-L401 HydrophobicContact CE2-CD2 3.72Å; Y191-L401 HydrophobicContact CG-CD2 3.78Å; L397-L401 HydrophobicContact CD1-CD1 4.16Å; L397-L401 HydrophobicContact CD1-CG 4.29Å; L397-L401 HydrophobicContact CG-CD1 4.18Å; L397-L401 WeakPolarHBondContact O-CG 3.48Å; L397-L401 PolarHBondContact O-N 3.38Å; F398-L401 PolarHBondContact O-N 2.91Å; L401-S405 WeakPolarHBondContact O-CB 3.43Å; L401-S405 PolarHBondContact O-N 3.27Å; L401-S405 PolarHBondContact O-OG 3.34Å
402M98.7Very high98.6Very high101 Ų10136.3 Ų36.350%0.49819%0.19SC..Hα-helixtrans-67.3-51.2176.9-179.3-94.3-69.500111.6F398 V399 T400 A404 S405 V406F398-M402 WeakPolarHBondContact O-CB 3.4Å; F398-M402 PolarHBondContact O-N 2.89Å; V399-M402 WeakPolarHBondContact O-CB 3.39Å; V399-M402 PolarHBondContact O-N 2.95Å; T400-M402 PolarHBondContact O-N 3.39Å; M402-A404 VanDerWaalsContact C-N 3.35Å; M402-A404 PolarHBondContact O-N 2.99Å; M402-S405 PolarHBondContact O-N 2.88Å; M402-V406 WeakPolarHBondContact O-CB 3.4Å; M402-V406 WeakPolarHBondContact O-CG2 3.33Å; M402-V406 PolarHBondContact O-N 3.47Å
403F98.7Very high98.5Very high42 Ų4239.8 Ų39.818%0.18421%0.208CC..Hα-helixtrans-60.2-44.2176.1-84.8-70.9000112.1L162 I165 N166 F188 V399 T400 G407L162-F403 HydrophobicContact CD2-CD1 4.33Å; I165-F403 HydrophobicContact CG2-CE1 3.82Å; I165-F403 HydrophobicContact CG2-CZ 3.71Å; N166-F403 HydrophobicContact CB-CB 4.31Å; N166-F403 HydrophobicContact CB-CD2 4.14Å; N166-F403 HydrophobicContact CB-CG 4.28Å; F188-F403 HydrophobicContact CE2-CB 4.13Å; V399-F403 HydrophobicContact CG1-CD2 3.66Å; V399-F403 HydrophobicContact CG1-CE2 3.65Å; V399-F403 WeakPolarHBondContact O-CD2 3.27Å; V399-F403 PolarHBondContact O-N 3.34Å; T400-F403 PolarHBondContact O-N 3.44Å; F403-G407 WeakPolarHBondContact O-CA 3.1Å; F403-G407 PolarHBondContact O-N 3.06Å
404A98.8Very high98.4Very high0 Ų042.8 Ų42.80%022%0.224CC..Hα-helixtrans-60.4-47.2177.300000111.7F188 F192 T400 M402 G408F188-A404 HydrophobicContact CD2-CB 4.05Å; F188-A404 HydrophobicContact CE2-CB 4.47Å; F188-A404 WeakPolarHBondContact O-CB 3.33Å; F192-A404 WeakPolarHBondContact CA-O 3.43Å; F192-A404 HydrophobicContact CB-CB 4.31Å; T400-A404 VanDerWaalsContact O-CB 3.22Å; T400-A404 WeakPolarHBondContact O-CB 3.36Å; T400-A404 PolarHBondContact O-N 2.94Å; M402-A404 VanDerWaalsContact C-N 3.35Å; M402-A404 PolarHBondContact O-N 2.99Å; A404-G408 PolarHBondContact O-N 3.39Å
405S98.7Very high98.3Very high49 Ų4940.9 Ų40.934%0.34321%0.214SC..Hα-helixtrans-70-45.1-177.1-58.60000112.5V195 L401 M402 G409V195-S405 WeakPolarHBondContact CG1-O 3.34Å; L401-S405 WeakPolarHBondContact O-CB 3.43Å; L401-S405 PolarHBondContact O-N 3.27Å; L401-S405 PolarHBondContact O-OG 3.34Å; M402-S405 PolarHBondContact O-N 2.88Å; S405-G409 PolarHBondContact O-N 3.03Å
406V98.4Very high98.1Very high83 Ų8341.5 Ų41.550%0.50322%0.217SC..Hα-helixtrans-65.1-45.5177.1173.90000109.9M402 G409 L410M402-V406 WeakPolarHBondContact O-CB 3.4Å; M402-V406 WeakPolarHBondContact O-CG2 3.33Å; M402-V406 PolarHBondContact O-N 3.47Å; V406-G409 PolarHBondContact O-N 3.08Å; V406-L410 HydrophobicContact CG1-CD1 4Å; V406-L410 HydrophobicContact CG1-CG 4.42Å; V406-L410 WeakPolarHBondContact O-CG 3.48Å; V406-L410 PolarHBondContact O-N 3.13Å
407G98.6Very high97.8Very high1 Ų144.8 Ų44.81%0.0123%0.233CC..Hα-helixtrans-59.9-51.4177.900000113.1F192 F403 G409 L410 G411F192-G407 WeakPolarHBondContact CE2-O 3.44Å; F403-G407 WeakPolarHBondContact O-CA 3.1Å; F403-G407 PolarHBondContact O-N 3.06Å; G407-G409 VanDerWaalsContact C-N 3.25Å; G407-G409 PolarHBondContact O-N 3.16Å; G407-L410 PolarHBondContact O-N 3.01Å; G407-G411 PolarHBondContact O-N 3.29Å
408G98.6Very high97.1Very high0 Ų050.3 Ų50.30%027%0.27CS..Hα-helixtrans-61.9-35.6177.900000112F192 L196 A404 G412F192-G408 VanDerWaalsContact CD2-N 3.29Å; F192-G408 WeakPolarHBondContact O-CA 3.4Å; L196-G408 WeakPolarHBondContact CA-O 3.36Å; A404-G408 PolarHBondContact O-N 3.39Å; G408-G412 PolarHBondContact O-N 3.24Å
409G98.7Very high96.5Very high18 Ų1850.6 Ų50.619%0.18627%0.271CS..Hα-helixtrans-62.8-52.7173.600000112.6S405 V406 G407 G412 L413S405-G409 PolarHBondContact O-N 3.03Å; V406-G409 PolarHBondContact O-N 3.08Å; G407-G409 VanDerWaalsContact C-N 3.25Å; G407-G409 PolarHBondContact O-N 3.16Å; G409-G412 PolarHBondContact O-N 3.06Å; G409-L413 WeakPolarHBondContact O-CG 3.31Å; G409-L413 PolarHBondContact O-N 2.93Å; G409-L413 VanDerWaalsContact O-N 3.13Å
410L98.3Very high96Very high98 Ų9850.3 Ų50.351%0.51327%0.269SS..Hα-helixtrans-63.4-44.8178.1-69.1175.8000111.9L158 V406 G407 G412 L413 L414L158-L410 HydrophobicContact CD2-CB 4.36Å; V406-L410 HydrophobicContact CG1-CD1 4Å; V406-L410 HydrophobicContact CG1-CG 4.42Å; V406-L410 WeakPolarHBondContact O-CG 3.48Å; V406-L410 PolarHBondContact O-N 3.13Å; G407-L410 PolarHBondContact O-N 3.01Å; L410-G412 VanDerWaalsContact C-N 3.27Å; L410-G412 PolarHBondContact O-N 3.12Å; L410-L413 PolarHBondContact O-N 3.33Å; L410-L414 PolarHBondContact O-N 3.37Å
411G97.9Very high95.2Very high0 Ų051.9 Ų51.90%028%0.278CS..Hα-helixtrans-57.4-41.9173.700000111.2G407 L413 L414 L415G407-G411 PolarHBondContact O-N 3.29Å; G411-L413 VanDerWaalsContact C-N 3.33Å; G411-L413 PolarHBondContact O-N 3.33Å; G411-L414 WeakPolarHBondContact O-CB 3.44Å; G411-L414 PolarHBondContact O-N 2.92Å; G411-L415 WeakPolarHBondContact O-CB 3.42Å; G411-L415 VanDerWaalsContact O-CG 3.26Å; G411-L415 WeakPolarHBondContact O-CG 3.5Å; G411-L415 PolarHBondContact O-N 3.07Å
412G97.1Very high94.6Very high0 Ų052.3 Ų52.30%028%0.284CS..Hα-helixtrans-65.2-38.5-179.800000112.5V199 G408 G409 L410 L415 K416V199-G412 VanDerWaalsContact CG1-C 3.45Å; G408-G412 PolarHBondContact O-N 3.24Å; G409-G412 PolarHBondContact O-N 3.06Å; L410-G412 VanDerWaalsContact C-N 3.27Å; L410-G412 PolarHBondContact O-N 3.12Å; G412-L415 PolarHBondContact O-N 3.36Å; G412-K416 WeakPolarHBondContact O-CG 3.45Å; G412-K416 PolarHBondContact O-N 3.4Å
413L97.2Very high94.2Very high108 Ų10847.7 Ų47.757%0.56526%0.262SS*.Hα-helixtrans-67.1-42.3173.9-64.8174.7000111.4V199 G409 L410 G411 L415 K416V199-L413 HydrophobicContact CG1-CD2 4.26Å; G409-L413 WeakPolarHBondContact O-CG 3.31Å; G409-L413 PolarHBondContact O-N 2.93Å; G409-L413 VanDerWaalsContact O-N 3.13Å; L410-L413 PolarHBondContact O-N 3.33Å; G411-L413 VanDerWaalsContact C-N 3.33Å; G411-L413 PolarHBondContact O-N 3.33Å; L413-L415 VanDerWaalsContact C-N 3.32Å; L413-L415 PolarHBondContact O-N 3.42Å; L413-K416 PolarHBondContact O-N 3.13Å
414L96.5Very high94Very high63 Ų6348.1 Ų48.133%0.3327%0.269SS..Hα-helixtrans-59.4-43.2174.6179.567.1000111.3L154 L410 G411 K416 L417 L420L154-L414 HydrophobicContact CB-CD2 4.13Å; L410-L414 PolarHBondContact O-N 3.37Å; G411-L414 WeakPolarHBondContact O-CB 3.44Å; G411-L414 PolarHBondContact O-N 2.92Å; L414-K416 VanDerWaalsContact C-N 3.26Å; L414-K416 PolarHBondContact O-N 3.46Å; L414-L417 HydrophobicContact CD1-CD1 3.88Å; L414-L417 WeakPolarHBondContact O-CB 3.34Å; L414-L417 WeakPolarHBondContact O-CD1 3.48Å; L414-L417 WeakPolarHBondContact O-CG 3.45Å; L414-L417 PolarHBondContact O-N 3.09Å; L414-L420 WeakPolarHBondContact O-CD1 3.3Å
415L96.5Very high93.8Very high2 Ų249.4 Ų49.41%0.0128%0.276CS..Hα-helixtrans-75.4-11.6-177.7-65.6-157.8000114.1Q151 L154 M155 L196 L200 G411 G412 L413 L417 L420Q151-L415 HydrophobicContact CB-CD1 4Å; Q151-L415 HydrophobicContact CB-CD2 3.95Å; Q151-L415 HydrophobicContact CB-CG 4.39Å; Q151-L415 HydrophobicContact CG-CD2 4.49Å; Q151-L415 PolarHBondContact NE2-O 2.95Å; Q151-L415 WeakPolarHBondContact O-CD2 3.41Å; L154-L415 HydrophobicContact CB-CD2 3.93Å; M155-L415 HydrophobicContact CB-CD1 4.21Å; L196-L415 HydrophobicContact CD1-CD1 4.12Å; L196-L415 HydrophobicContact CD1-CG 4.43Å; L196-L415 HydrophobicContact CD2-CD1 4.36Å; L200-L415 HydrophobicContact CD1-CB 4.06Å; L200-L415 HydrophobicContact CD1-CD1 4.01Å; L200-L415 HydrophobicContact CD2-CB 4Å; G411-L415 WeakPolarHBondContact O-CB 3.42Å; G411-L415 VanDerWaalsContact O-CG 3.26Å; G411-L415 WeakPolarHBondContact O-CG 3.5Å; G411-L415 PolarHBondContact O-N 3.07Å; G412-L415 PolarHBondContact O-N 3.36Å; L413-L415 VanDerWaalsContact C-N 3.32Å; L413-L415 PolarHBondContact O-N 3.42Å; L415-L417 VanDerWaalsContact C-N 3.29Å; L415-L420 HydrophobicContact CD2-CD1 4.34Å
416K94.3Very high93.6Very high122 Ų12249.9 Ų49.953%0.5328%0.279SS..THydrogen-bonded Turntrans-80.3-6.6173-81.6-173.8175.91790114.2V199 L200 G412 L413 L414V199-K416 HydrophobicContact CG1-CD 4.35Å; V199-K416 WeakPolarHBondContact O-CE 3.16Å; V199-K416 PolarHBondContact O-NZ 3Å; L200-K416 HydrophobicContact CD2-CG 3.73Å; G412-K416 WeakPolarHBondContact O-CG 3.45Å; G412-K416 PolarHBondContact O-N 3.4Å; L413-K416 PolarHBondContact O-N 3.13Å; L414-K416 VanDerWaalsContact C-N 3.26Å; L414-K416 PolarHBondContact O-N 3.46Å
417L91.9Very high93.5Very high68 Ų6849.4 Ų49.436%0.35627%0.271SS..  trans-60.2130.4-177.9-67.8173.6000110.8L414 L415 F419 L420L414-L417 HydrophobicContact CD1-CD1 3.88Å; L414-L417 WeakPolarHBondContact O-CB 3.34Å; L414-L417 WeakPolarHBondContact O-CD1 3.48Å; L414-L417 WeakPolarHBondContact O-CG 3.45Å; L414-L417 PolarHBondContact O-N 3.09Å; L415-L417 VanDerWaalsContact C-N 3.29Å; L417-F419 HydrophobicContact CB-CD1 4.03Å; L417-F419 HydrophobicContact CB-CE1 3.55Å; L417-F419 HydrophobicContact CB-CE2 4.49Å; L417-F419 HydrophobicContact CB-CZ 3.81Å; L417-F419 HydrophobicContact CD1-CE1 3.72Å; L417-F419 HydrophobicContact CD1-CZ 3.54Å; L417-F419 HydrophobicContact CD2-CE1 4.37Å; L417-F419 HydrophobicContact CG-CE1 4.08Å; L417-F419 HydrophobicContact CG-CZ 4.27Å; L417-F419 PolarHBondContact O-N 3.01Å; L417-F419 VanDerWaalsContact O-N 3.12Å; L417-L420 HydrophobicContact CB-CD1 4.11Å; L417-L420 HydrophobicContact CB-CG 4.31Å; L417-L420 WeakPolarHBondContact O-CB 2.99Å; L417-L420 PolarHBondContact O-N 3.05Å; L417-L420 VanDerWaalsContact O-N 3.13Å
418P85.8Confident93.4Very high123 Ų12349.4 Ų49.480%0.79927%0.271SS*.G310 helixtrans-68.2-18.7-165.826-35.6000113.9L420P418-L420 VanDerWaalsContact C-N 3.29Å; P418-L420 PolarHBondContact O-N 3.02Å
419F85.9Confident93.4Very high130 Ų13049.4 Ų49.457%0.5727%0.271SS*.G310 helixtrans-79.9-6.7178.961.1-100.9000113.5Q14 L417 D421Q14-F419 PolarHBondContact NE2-O 3.21Å; Q14-F419 PolarHBondContact OE1-O 3.29Å; L417-F419 HydrophobicContact CB-CD1 4.03Å; L417-F419 HydrophobicContact CB-CE1 3.55Å; L417-F419 HydrophobicContact CB-CE2 4.49Å; L417-F419 HydrophobicContact CB-CZ 3.81Å; L417-F419 HydrophobicContact CD1-CE1 3.72Å; L417-F419 HydrophobicContact CD1-CZ 3.54Å; L417-F419 HydrophobicContact CD2-CE1 4.37Å; L417-F419 HydrophobicContact CG-CE1 4.08Å; L417-F419 HydrophobicContact CG-CZ 4.27Å; L417-F419 PolarHBondContact O-N 3.01Å; L417-F419 VanDerWaalsContact O-N 3.12Å; F419-D421 PolarHBondContact O-N 2.87Å
420L87.1Confident93.3Very high6 Ų649.2 Ų49.23%0.03127%0.265CS..G310 helixtrans-81.82.7-179.5-61.9175.7000114.3Q151 L154 L414 L415 L417 P418 S422Q151-L420 HydrophobicContact CG-CB 3.74Å; Q151-L420 HydrophobicContact CG-CD1 4.13Å; Q151-L420 HydrophobicContact CG-CG 4.5Å; L154-L420 HydrophobicContact CD1-CD1 3.87Å; L154-L420 HydrophobicContact CD1-CD2 3.51Å; L154-L420 HydrophobicContact CD1-CG 4.36Å; L414-L420 WeakPolarHBondContact O-CD1 3.3Å; L415-L420 HydrophobicContact CD2-CD1 4.34Å; L417-L420 HydrophobicContact CB-CD1 4.11Å; L417-L420 HydrophobicContact CB-CG 4.31Å; L417-L420 WeakPolarHBondContact O-CB 2.99Å; L417-L420 PolarHBondContact O-N 3.05Å; L417-L420 VanDerWaalsContact O-N 3.13Å; P418-L420 VanDerWaalsContact C-N 3.29Å; P418-L420 PolarHBondContact O-N 3.02Å; L420-S422 VanDerWaalsContact C-N 3.3Å; L420-S422 PolarHBondContact O-N 3.03Å
421D81.8Confident93.2Very high33 Ų3345.1 Ų45.118%0.17624%0.244CC..  trans41.652.6174.8-160.32.6000113.8R11 F419R11-D421 WeakPolarHBondContact CD-OD2 3.43Å; R11-D421 WeakPolarHBondContact CG-OD2 3.38Å; R11-D421 IonicContact CZ-OD1 3.23Å; R11-D421 IonicContact CZ-OD2 2.68Å; R11-D421 IonicContact NE-OD1 2.66Å; R11-D421 IonicContact NE-OD2 3.95Å; R11-D421 PolarHBondContact NE-OD2 3.45Å; R11-D421 IonicContact NH2-OD1 3.66Å; R11-D421 PolarHBondContact NH2-OD1 3.24Å; R11-D421 IonicContact NH2-OD2 3.09Å; R11-D421 PolarHBondContact NH2-OD2 3.45Å; F419-D421 PolarHBondContact O-N 2.87Å
422S87.6Confident93Very high52 Ų5249.6 Ų49.636%0.36427%0.265SS..PPolyproline II helixtrans-61.9146.8176.3670000110.8Q151 L420Q151-S422 VanDerWaalsContact OE1-CB 3.29Å; L420-S422 VanDerWaalsContact C-N 3.3Å; L420-S422 PolarHBondContact O-N 3.03Å
423P90.5Very high92.8Very high4 Ų450.7 Ų50.73%0.02627%0.271CS..PPolyproline II helixtrans-60.9142178.623.6-32.4000110.1R202 V433R202-P423 VanDerWaalsContact CZ-O 3.22Å; R202-P423 PolarHBondContact NH1-O 3.12Å; R202-P423 PolarHBondContact NH2-O 2.67Å; P423-V433 HydrophobicContact CB-CG1 4.47Å
424P92.9Very high92.5Very high51 Ų5148.3 Ų48.333%0.33126%0.257SS..PPolyproline II helixtrans-65.3156.3170.228.2-33.5000110.4S426 Q427 C428P424-S426 PolarHBondContact O-N 3.4Å; P424-Q427 HydrophobicContact CG-CB 3.86Å; P424-Q427 HydrophobicContact CG-CG 3.84Å; P424-Q427 VanDerWaalsContact CG-OE1 3.32Å; P424-Q427 PolarHBondContact O-N 3.42Å; P424-C428 PolarHBondContact O-N 3.01Å
425D95.6Very high92.4Very high27 Ų2749.9 Ų49.914%0.14426%0.259CS..G310 helixtrans-55.1-28.5-177.8-72.610.2000113.2R202 Q204 S208 Q427R202-D425 WeakPolarHBondContact CD-OD1 3.28Å; R202-D425 WeakPolarHBondContact CG-OD1 3.4Å; R202-D425 IonicContact CZ-OD1 3.67Å; R202-D425 IonicContact NH1-OD1 2.68Å; R202-D425 PolarHBondContact NH1-OD1 3.04Å; Q204-D425 WeakPolarHBondContact CA-OD2 3.44Å; Q204-D425 HydrophobicContact CB-CB 4.01Å; Q204-D425 WeakPolarHBondContact CB-OD2 3.2Å; Q204-D425 PolarHBondContact N-OD2 3.43Å; S208-D425 WeakPolarHBondContact CB-O 3.29Å; S208-D425 PolarHBondContact OG-O 3.31Å; D425-Q427 VanDerWaalsContact C-N 3.31Å; D425-Q427 PolarHBondContact O-N 2.96Å
426S94.9Very high92.3Very high59 Ų5958.7 Ų58.741%0.41330%0.3SS..G310 helixtrans-78.8-8.517760.80000115R211 P424R211-S426 PolarHBondContact NH2-O 3.34Å; P424-S426 PolarHBondContact O-N 3.4Å
427Q95.3Very high92.2Very high73 Ų7354.3 Ų54.334%0.34128%0.284SS..G310 helixtrans-122.415-177.2-64.9-178.1-22.300112.4P424 D425 V433P424-Q427 HydrophobicContact CG-CB 3.86Å; P424-Q427 HydrophobicContact CG-CG 3.84Å; P424-Q427 VanDerWaalsContact CG-OE1 3.32Å; P424-Q427 PolarHBondContact O-N 3.42Å; D425-Q427 VanDerWaalsContact C-N 3.31Å; D425-Q427 PolarHBondContact O-N 2.96Å; Q427-V433 HydrophobicContact CB-CG2 3.98Å
428C97.4Very high91.9Very high0 Ų056 Ų560%030%0.298CS..THydrogen-bonded Turntrans-66.9157.6168.4-63.70000110.3G145 K146 L205 S208 R211 P424 E430G145-C428 CarbonylContact O-C 3.37Å; G145-C428 VanDerWaalsContact O-CA 3.28Å; G145-C428 WeakPolarHBondContact O-CA 3.43Å; G145-C428 VanDerWaalsContact O-CB 3.25Å; G145-C428 WeakPolarHBondContact O-CB 3.41Å; K146-C428 HydrophobicContact CG-CB 4.5Å; L205-C428 HydrophobicContact CD1-CB 3.89Å; S208-C428 WeakPolarHBondContact CB-O 3.38Å; S208-C428 WeakPolarHBondContact OG-CB 3.37Å; R211-C428 PolarHBondContact NE-O 3.17Å; R211-C428 VanDerWaalsContact NE-O 3.16Å; R211-C428 PolarHBondContact NH2-O 2.94Å; P424-C428 PolarHBondContact O-N 3.01Å; C428-E430 VanDerWaalsContact C-N 3.32Å; C428-E430 PolarHBondContact O-N 3.28Å
429Y97.6Very high91.1Very high0 Ų053.8 Ų53.80%030%0.298CS..THydrogen-bonded Turntrans57.639179.1-43.9-73.9000113.7L82 L144 G145 K146 L205 Q212 T338L82-Y429 HydrophobicContact CD1-CD1 3.89Å; L82-Y429 HydrophobicContact CD1-CE1 4.49Å; L82-Y429 HydrophobicContact CD2-CD1 3.94Å; L82-Y429 HydrophobicContact CD2-CE1 4.5Å; L144-Y429 WeakPolarHBondContact O-CE1 3.46Å; G145-Y429 PolarHBondContact O-N 3.2Å; K146-Y429 WeakPolarHBondContact CD-OH 3.47Å; K146-Y429 HydrophobicContact CG-CE1 4.36Å; L205-Y429 HydrophobicContact CD1-CE2 3.8Å; L205-Y429 HydrophobicContact CD2-CE2 4.4Å; L205-Y429 HydrophobicContact CG-CE2 4.21Å; Q212-Y429 HydrophobicContact CB-CD1 4.44Å; Q212-Y429 HydrophobicContact CB-CD2 3.85Å; Q212-Y429 HydrophobicContact CB-CE1 4.35Å; Q212-Y429 HydrophobicContact CB-CE2 3.74Å; Q212-Y429 HydrophobicContact CB-CG 4.2Å; Q212-Y429 VanDerWaalsContact CD-OH 3.26Å; Q212-Y429 HydrophobicContact CG-CD1 4.31Å; Q212-Y429 HydrophobicContact CG-CD2 4.37Å; Q212-Y429 HydrophobicContact CG-CE1 3.85Å; Q212-Y429 HydrophobicContact CG-CE2 3.91Å; Q212-Y429 PolarHBondContact NE2-OH 3.12Å; Q212-Y429 PolarHBondContact OE1-OH 3.39Å; T338-Y429 HydrophobicContact CG2-CE1 3.8Å
430E96.7Very high90Very high15 Ų1551.5 Ų51.57%0.0729%0.289CS..  trans-136.9117.3-175.8-176.760.3-105.700111.9R84 Y85 R211 C428 Q432 V433R84-E430 IonicContact CZ-OE1 3.47Å; R84-E430 IonicContact CZ-OE2 2.79Å; R84-E430 VanDerWaalsContact CZ-OE2 3.23Å; R84-E430 IonicContact NE-OE1 3.72Å; R84-E430 IonicContact NE-OE2 3.58Å; R84-E430 IonicContact NH1-OE1 3.44Å; R84-E430 IonicContact NH1-OE2 3.82Å; R84-E430 PolarHBondContact NH1-OE2 3.42Å; R84-E430 IonicContact NH2-OE1 3.58Å; R84-E430 IonicContact NH2-OE2 3.02Å; R84-E430 CarbonylContact O-C 3.59Å; R84-E430 WeakPolarHBondContact O-CA 3.2Å; Y85-E430 VanDerWaalsContact CD2-N 3.32Å; R211-E430 WeakPolarHBondContact CD-OE2 3.15Å; R211-E430 IonicContact NE-OE2 3.75Å; C428-E430 VanDerWaalsContact C-N 3.32Å; C428-E430 PolarHBondContact O-N 3.28Å; E430-Q432 HydrophobicContact CG-CB 4.11Å; E430-V433 HydrophobicContact CB-CG2 4.08Å; E430-V433 HydrophobicContact CG-CG2 4.2Å; E430-V433 WeakPolarHBondContact O-CG2 3.46Å; E430-V433 PolarHBondContact O-N 3.29Å
431D96.6Very high88.2Confident12 Ų1259.5 Ų59.56%0.06433%0.326CS..G310 helixtrans-67.9-33.2-178.8-83.3-33000112.8R84 Y85 G86 F87 S88 V433 H434 W435 V437R84-D431 PolarHBondContact O-N 3.34Å; Y85-D431 VanDerWaalsContact CA-CG 3.5Å; Y85-D431 WeakPolarHBondContact CA-OD1 3.18Å; Y85-D431 VanDerWaalsContact CA-OD2 3.28Å; Y85-D431 WeakPolarHBondContact CA-OD2 3.42Å; G86-D431 PolarHBondContact N-OD2 3.05Å; F87-D431 HydrophobicContact CB-CB 4.4Å; F87-D431 PolarHBondContact N-OD2 3.03Å; S88-D431 WeakPolarHBondContact CB-OD1 3.48Å; S88-D431 PolarHBondContact N-OD1 2.83Å; S88-D431 PolarHBondContact OG-OD1 3.48Å; D431-V433 PolarHBondContact O-N 3.17Å; D431-H434 PolarHBondContact O-N 3.41Å; D431-W435 WeakPolarHBondContact O-CB 3.47Å; D431-W435 PolarHBondContact O-N 3.41Å; D431-V437 HydrophobicContact CB-CG2 4.01Å
432Q94Very high86.4Confident94 Ų9466.1 Ų66.144%0.43936%0.356SS..G310 helixtrans-56.8-18.7179.9-65.3-174.5-11.200113.8E430 H434 V437 E440E430-Q432 HydrophobicContact CG-CB 4.11Å; Q432-H434 VanDerWaalsContact C-N 3.26Å; Q432-H434 PolarHBondContact O-N 3.25Å; Q432-V437 HydrophobicContact CG-CB 4.29Å; Q432-V437 HydrophobicContact CG-CG2 3.9Å; Q432-E440 PolarHBondContact NE2-OE2 2.82Å
433V92.2Very high84.1Confident23 Ų2370.7 Ų70.714%0.13938%0.376CS..G310 helixtrans-65-32.5176.6-178.30000111.7P423 Q427 E430 D431P423-V433 HydrophobicContact CB-CG1 4.47Å; Q427-V433 HydrophobicContact CB-CG2 3.98Å; E430-V433 HydrophobicContact CB-CG2 4.08Å; E430-V433 HydrophobicContact CG-CG2 4.2Å; E430-V433 WeakPolarHBondContact O-CG2 3.46Å; E430-V433 PolarHBondContact O-N 3.29Å; D431-V433 PolarHBondContact O-N 3.17Å
434H91.9Very high81.8Confident58 Ų5879.7 Ų79.727%0.26942%0.418SS..THydrogen-bonded Turntrans-125-18-172.3-62.3-58.8000114.1F92 D431 Q432F92-H434 HydrophobicContact CZ-CB 3.94Å; F92-H434 AromaticContact CZ-CD2 3.83Å; F92-H434 AromaticContact CZ-CG 3.93Å; D431-H434 PolarHBondContact O-N 3.41Å; Q432-H434 VanDerWaalsContact C-N 3.26Å; Q432-H434 PolarHBondContact O-N 3.25Å
435W94.2Very high79.1Confident95 Ų9581.4 Ų81.436%0.3644%0.437SS..SBendtrans-121.2150.9-172.3-58.895000112.4F87 S88 F92 D431 V437F87-W435 HydrophobicContact CB-CD2 3.92Å; F87-W435 HydrophobicContact CB-CG 3.88Å; F87-W435 HydrophobicContact CD2-CB 3.93Å; F87-W435 HydrophobicContact CD2-CD2 4.34Å; F87-W435 HydrophobicContact CD2-CG 4.07Å; S88-W435 VanDerWaalsContact OG-CD1 3.31Å; S88-W435 PolarHBondContact OG-NE1 2.96Å; F92-W435 HydrophobicContact CD1-CZ2 4.16Å; F92-W435 AromaticContact CE1-CZ2 3.8Å; F92-W435 HydrophobicContact CE1-CZ2 3.8Å; F92-W435 AromaticContact CZ-NE1 3.94Å; D431-W435 WeakPolarHBondContact O-CB 3.47Å; D431-W435 PolarHBondContact O-N 3.41Å; W435-V437 HydrophobicContact CB-CG2 4.31Å; W435-V437 PolarHBondContact O-N 3.13Å
436Q93.6Very high76.2Confident187 Ų18788.3 Ų88.387%0.87447%0.468SS*.  trans-80.4103.2162.8-66.5178.34.600107.7
437V91.8Very high73Confident31 Ų3196.2 Ų96.219%0.18849%0.489CS..  trans-89.7124.1-177.8-176.20000109.5D431 Q432 W435 E440D431-V437 HydrophobicContact CB-CG2 4.01Å; Q432-V437 HydrophobicContact CG-CB 4.29Å; Q432-V437 HydrophobicContact CG-CG2 3.9Å; W435-V437 HydrophobicContact CB-CG2 4.31Å; W435-V437 PolarHBondContact O-N 3.13Å; V437-E440 HydrophobicContact CG1-CG 4.47Å
438P86.1Confident70Confident103 Ų10398.3 Ų98.367%0.66951%0.509SS*.THydrogen-bonded Turntrans-61.7138.1177.7-22.433.1000112.4E440P438-E440 PolarHBondContact O-N 3.12Å
439G70.3Confident67.1Low77 Ų77106.2 Ų106.279%0.79455%0.55SS**THydrogen-bonded Turntrans83.6-4.7166.100000117.4
440E61.3Low63.9Low81 Ų81117.9 Ų117.938%0.37959%0.594SS.*  trans-99.38.2179.5-65.5-174.4140.600113.7R84 Q432 V437 P438R84-E440 IonicContact CZ-OE1 3.15Å; R84-E440 IonicContact NE-OE1 2.75Å; R84-E440 IonicContact NH2-OE1 2.74Å; R84-E440 PolarHBondContact NH2-OE1 3.25Å; R84-E440 IonicContact NH2-OE2 3.78Å; R84-E440 PolarHBondContact NH2-OE2 2.86Å; R84-E440 VanDerWaalsContact NH2-OE2 3.09Å; Q432-E440 PolarHBondContact NE2-OE2 2.82Å; V437-E440 HydrophobicContact CG1-CG 4.47Å; P438-E440 PolarHBondContact O-N 3.12Å
441H49.4Very low61.1Low174 Ų174123 Ų12381%0.80663%0.626SS**SBendtrans-103.18.6-176.2-98.6-49.8000116.4
442E44.7Very low58.1Low172 Ų172131.5 Ų131.580%0.80467%0.666SS**SBendtrans-108.6-18.8-179.2-70.7-171160.600115.8
443D39.5Very low55.4Low149 Ų149135.7 Ų135.780%0.79769%0.685SS**SBendtrans-97.9-15.4-171-77.7-32.9000116.5
444E41.3Very low52.4Low192 Ų192139.2 Ų139.290%0.89772%0.717SS**SBendtrans-92.7-8.6179.5-72-162.1160.500114.4
445A37.4Very low50.1Low88 Ų88143.9 Ų143.973%0.72774%0.744SS**SBendtrans-86.1-0.8-178.200000114.8
446Q33.8Very low47.7Very low172 Ų172144.7 Ų144.780%0.80476%0.759SS**SBendtrans-133.121.8-175.3-73.6-168.8-0.100116.7
447R28.7Very low45.1Very low224 Ų224145 Ų14585%0.84576%0.761SS**  trans-115.796.1164.6-77.8-174.2176.9-178.41.2111.2L449R447-L449 PolarHBondContact O-N 3.27Å; R447-L449 VanDerWaalsContact O-N 3.11Å
448P32.4Very low42.6Very low117 Ų117151.9 Ų151.976%0.7682%0.821SS**  trans-61.1116.4158.1-7.622.8000107.1R450P448-R450 VanDerWaalsContact C-N 3.34Å; P448-R450 PolarHBondContact O-N 2.76Å
449L34.8Very low40.4Very low166 Ų166154.4 Ų154.487%0.86983%0.829SS**  trans-51.598163.1-75.8151.2000108.4R447 V451R447-L449 PolarHBondContact O-N 3.27Å; R447-L449 VanDerWaalsContact O-N 3.11Å; L449-V451 PolarHBondContact O-N 2.72Å
450R32.4Very low38.8Very low245 Ų245158.4 Ų158.493%0.92583%0.831SS**  trans-82.498.1157.8-92.2-173.3176.1178.4-0.8107.1P448P448-R450 VanDerWaalsContact C-N 3.34Å; P448-R450 PolarHBondContact O-N 2.76Å
451V36.8Very low37.6Very low123 Ų123162.7 Ų162.775%0.74586%0.856SS**  trans-135.8108.6153.1-178.30000105.9L449L449-V451 PolarHBondContact O-N 2.72Å
452E33.3Very low36.9Very low191 Ų191162.1 Ų162.189%0.89386%0.859SS**  -162.8139.2119.5-109.8177.6177.100110.3
453E37.8Very low36.4Very low181 Ų181161.4 Ų161.485%0.84686%0.862SS**  trans-61.3149.5-179.8-70.1158.8141.100112.2
454A29.4Very low36.2Very low97 Ų97162.3 Ų162.380%0.80287%0.867SS**  trans-13286.5146.200000106.9T456A454-T456 PolarHBondContact O-N 3.38Å
455D42.9Very low35.8Very low157 Ų157160.1 Ų160.184%0.8486%0.864SS**  trans-77.9104.8155.6-1508.4000105.8
456T43.4Very low35.7Very low112 Ų112165.7 Ų165.769%0.68788%0.875SS**  trans-168.1119.7160.510.50000111.3A454A454-T456 PolarHBondContact O-N 3.38Å
457Q40.1Very low35.8Very low192 Ų192165.2 Ų165.290%0.89788%0.881SS**  trans74.7131154.7-56179.4-2.700116.1
458A38Very low36.5Very low177 Ų177159.8 Ų159.8100%1.46388%0.884SS**  cis-155.1017.300000110.4

Retrieved 458 of 458 residues in 4042.6 ms (Link to these results)

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