A0A5K4FB05_SCHMA Loading...

Transmembrane protein 138

Required for ciliogenesis.

AlphaFold DB , UniProt , Accession A0A5K4FB05, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 160 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
1M61.5Low83.2Confident87 Ų8794.9 Ų94.943%0.42947%0.473SS..  0134.40-175148.276.100108.8V3 R5 Y6 L58 Y146M1-V3 PolarHBondContact O-N 2.79Å; M1-R5 HydrophobicContact CG-CB 4.34Å; M1-R5 HydrophobicContact CG-CG 4.48Å; M1-Y6 HydrophobicContact CE-CD2 3.44Å; M1-Y6 VanDerWaalsContact CE-CD2 3.44Å; M1-Y6 HydrophobicContact CE-CG 3.97Å; M1-L58 HydrophobicContact CE-CD2 4.15Å; M1-Y146 HydrophobicContact CE-CE1 4.46Å
2N72.4Confident84Confident134 Ų13492 Ų9272%0.71746%0.464SS*.  trans-59.8130.9176.1-73.4-2.9000109.7L4 R5 Y6N2-L4 PolarHBondContact O-N 2.82Å; N2-L4 VanDerWaalsContact O-N 3.15Å; N2-R5 HydrophobicContact CB-CB 4.49Å; N2-R5 WeakPolarHBondContact O-CB 3.28Å; N2-R5 PolarHBondContact O-N 3.48Å; N2-Y6 PolarHBondContact O-N 3.33Å
3V79Confident84.7Confident103 Ų10385.2 Ų85.262%0.62443%0.429SS*.Hα-helixtrans-51.7-41.3-176.2177.90000111.6M1 R5 Y6 Q7M1-V3 PolarHBondContact O-N 2.79Å; V3-R5 PolarHBondContact O-N 3.4Å; V3-Y6 PolarHBondContact O-N 3.15Å; V3-Q7 HydrophobicContact CG1-CG 4.35Å; V3-Q7 WeakPolarHBondContact O-CG 3.44Å; V3-Q7 PolarHBondContact O-N 3.49Å
4L84.2Confident85.2Confident116 Ų11687.7 Ų87.761%0.60744%0.436SS*.Hα-helixtrans-59.5-43.8176.7-174.471.6000112.7N2 Y6 Q7 I8N2-L4 PolarHBondContact O-N 2.82Å; N2-L4 VanDerWaalsContact O-N 3.15Å; L4-Y6 VanDerWaalsContact C-N 3.32Å; L4-Y6 PolarHBondContact O-N 2.99Å; L4-Q7 PolarHBondContact O-N 3.38Å; L4-I8 HydrophobicContact CG-CD1 4.03Å; L4-I8 VanDerWaalsContact O-CG1 3.3Å; L4-I8 WeakPolarHBondContact O-CG1 3.35Å; L4-I8 PolarHBondContact O-N 3.4Å
5R84.2Confident85.9Confident158 Ų15888.3 Ų88.360%0.59644%0.441SS*.Hα-helixtrans-63.5-42.3179.2-177.1178.7173.7-172.1-4.1110.5M1 N2 V3 I8 V9M1-R5 HydrophobicContact CG-CB 4.34Å; M1-R5 HydrophobicContact CG-CG 4.48Å; N2-R5 HydrophobicContact CB-CB 4.49Å; N2-R5 WeakPolarHBondContact O-CB 3.28Å; N2-R5 PolarHBondContact O-N 3.48Å; V3-R5 PolarHBondContact O-N 3.4Å; R5-I8 PolarHBondContact O-N 2.94Å; R5-V9 WeakPolarHBondContact O-CG2 3.44Å; R5-V9 PolarHBondContact O-N 3.41Å; R5-V9 VanDerWaalsContact O-N 3.11Å
6Y83.4Confident86.4Confident47 Ų4784.6 Ų84.618%0.18442%0.423CS..Hα-helixtrans-62.6-45.7175.7178.6-110.4000111.9M1 N2 V3 L4 I8 V9 L10 I137 G141M1-Y6 HydrophobicContact CE-CD2 3.44Å; M1-Y6 VanDerWaalsContact CE-CD2 3.44Å; M1-Y6 HydrophobicContact CE-CG 3.97Å; N2-Y6 PolarHBondContact O-N 3.33Å; V3-Y6 PolarHBondContact O-N 3.15Å; L4-Y6 VanDerWaalsContact C-N 3.32Å; L4-Y6 PolarHBondContact O-N 2.99Å; Y6-I8 VanDerWaalsContact C-N 3.34Å; Y6-I8 PolarHBondContact O-N 3.34Å; Y6-V9 PolarHBondContact O-N 2.76Å; Y6-L10 HydrophobicContact CE1-CD1 3.99Å; Y6-L10 WeakPolarHBondContact O-CB 3.05Å; Y6-L10 PolarHBondContact O-N 3.37Å; Y6-I137 PolarHBondContact OH-O 2.93Å; Y6-G141 WeakPolarHBondContact OH-CA 3.25Å
7Q87.9Confident86.9Confident112 Ų11280.7 Ų80.752%0.52340%0.404SS..Hα-helixtrans-59.7-42.6178-74.3173.6-20.600112.4V3 L4 L10 L11V3-Q7 HydrophobicContact CG1-CG 4.35Å; V3-Q7 WeakPolarHBondContact O-CG 3.44Å; V3-Q7 PolarHBondContact O-N 3.49Å; L4-Q7 PolarHBondContact O-N 3.38Å; Q7-L10 PolarHBondContact O-N 3.29Å; Q7-L11 WeakPolarHBondContact O-CB 3.5Å; Q7-L11 PolarHBondContact O-N 3.09Å
8I90Very high87.3Confident96 Ų9681.4 Ų81.449%0.49241%0.409SS..Hα-helixtrans-62.7-46.2176.8-68.2165.9000110.5L4 R5 Y6 L10 L11 V12L4-I8 HydrophobicContact CG-CD1 4.03Å; L4-I8 VanDerWaalsContact O-CG1 3.3Å; L4-I8 WeakPolarHBondContact O-CG1 3.35Å; L4-I8 PolarHBondContact O-N 3.4Å; R5-I8 PolarHBondContact O-N 2.94Å; Y6-I8 VanDerWaalsContact C-N 3.34Å; Y6-I8 PolarHBondContact O-N 3.34Å; I8-L10 VanDerWaalsContact C-N 3.32Å; I8-L10 PolarHBondContact O-N 3.09Å; I8-L11 PolarHBondContact O-N 3.43Å; I8-V12 HydrophobicContact CG2-CG2 4.47Å; I8-V12 WeakPolarHBondContact O-CG2 3.4Å; I8-V12 PolarHBondContact O-N 3.01Å
9V90.6Very high87.7Confident32 Ų3280.8 Ų80.819%0.19440%0.401CS..Hα-helixtrans-61.8-43.4178.8175.10000111R5 Y6 L11 V12 Q13 I54 L58R5-V9 WeakPolarHBondContact O-CG2 3.44Å; R5-V9 PolarHBondContact O-N 3.41Å; R5-V9 VanDerWaalsContact O-N 3.11Å; Y6-V9 PolarHBondContact O-N 2.76Å; V9-L11 PolarHBondContact O-N 3.38Å; V9-V12 PolarHBondContact O-N 2.87Å; V9-Q13 WeakPolarHBondContact O-CG 3.44Å; V9-Q13 PolarHBondContact O-N 3.24Å; V9-I54 HydrophobicContact CG1-CG2 3.56Å; V9-L58 HydrophobicContact CG1-CD1 3.88Å; V9-L58 HydrophobicContact CG1-CD2 4.03Å; V9-L58 HydrophobicContact CG1-CG 4.19Å
10L89.4Confident88.1Confident58 Ų5876.9 Ų76.930%0.30438%0.382SS..Hα-helixtrans-63-42.1177.3-172.5148.2000111.8Y6 Q7 I8 Q13 F14 I137Y6-L10 HydrophobicContact CE1-CD1 3.99Å; Y6-L10 WeakPolarHBondContact O-CB 3.05Å; Y6-L10 PolarHBondContact O-N 3.37Å; Q7-L10 PolarHBondContact O-N 3.29Å; I8-L10 VanDerWaalsContact C-N 3.32Å; I8-L10 PolarHBondContact O-N 3.09Å; L10-Q13 PolarHBondContact O-N 3.12Å; L10-F14 WeakPolarHBondContact O-CB 3.39Å; L10-F14 PolarHBondContact O-N 2.89Å; L10-I137 HydrophobicContact CD1-CG2 3.48Å; L10-I137 VanDerWaalsContact CD1-CG2 3.48Å; L10-I137 HydrophobicContact CG-CG2 3.89Å
11L92.4Very high88.4Confident101 Ų10177.5 Ų77.553%0.52939%0.386SS..Hα-helixtrans-61.9-45.9176.4-178.467.2000111.2Q7 I8 V9 F14 L15Q7-L11 WeakPolarHBondContact O-CB 3.5Å; Q7-L11 PolarHBondContact O-N 3.09Å; I8-L11 PolarHBondContact O-N 3.43Å; V9-L11 PolarHBondContact O-N 3.38Å; L11-F14 PolarHBondContact O-N 3.24Å; L11-L15 HydrophobicContact CG-CD1 4.3Å; L11-L15 WeakPolarHBondContact O-CG 3.43Å; L11-L15 PolarHBondContact O-N 3.11Å
12V93.4Very high89.9Confident60 Ų6078.3 Ų78.336%0.36439%0.387SS..Hα-helixtrans-60.5-47.1177.4171.30000110.8I8 V9 F14 L15 L16 I54I8-V12 HydrophobicContact CG2-CG2 4.47Å; I8-V12 WeakPolarHBondContact O-CG2 3.4Å; I8-V12 PolarHBondContact O-N 3.01Å; V9-V12 PolarHBondContact O-N 2.87Å; V12-F14 VanDerWaalsContact C-N 3.31Å; V12-F14 PolarHBondContact O-N 3.39Å; V12-L15 PolarHBondContact O-N 3.39Å; V12-L16 HydrophobicContact CG1-CD1 4.09Å; V12-L16 HydrophobicContact CG1-CG 4.46Å; V12-L16 WeakPolarHBondContact O-CG 3.45Å; V12-L16 PolarHBondContact O-N 2.68Å; V12-I54 HydrophobicContact CG1-CD1 3.91Å
13Q92.6Very high90.9Very high3 Ų371.9 Ų71.91%0.01435%0.353CS..Hα-helixtrans-59.9-41.7176.4-75.5-179.8-37.300112.1V9 L10 L16 L17 I54 Y133 I137V9-Q13 WeakPolarHBondContact O-CG 3.44Å; V9-Q13 PolarHBondContact O-N 3.24Å; L10-Q13 PolarHBondContact O-N 3.12Å; Q13-L16 PolarHBondContact O-N 3Å; Q13-L17 WeakPolarHBondContact O-CG 3.46Å; Q13-L17 PolarHBondContact O-N 2.86Å; Q13-I54 HydrophobicContact CG-CG2 3.87Å; Q13-Y133 HydrophobicContact CB-CE1 4.28Å; Q13-Y133 HydrophobicContact CG-CE1 4.41Å; Q13-Y133 PolarHBondContact NE2-OH 3.4Å; Q13-I137 HydrophobicContact CB-CD1 4.18Å
14F92.7Very high91.5Very high121 Ų12167.4 Ų67.453%0.53133%0.326SS..Hα-helixtrans-64.1-42.5177.6-174.4-99.6000112L10 L11 V12 L17 L18L10-F14 WeakPolarHBondContact O-CB 3.39Å; L10-F14 PolarHBondContact O-N 2.89Å; L11-F14 PolarHBondContact O-N 3.24Å; V12-F14 VanDerWaalsContact C-N 3.31Å; V12-F14 PolarHBondContact O-N 3.39Å; F14-L17 PolarHBondContact O-N 3.31Å; F14-L18 HydrophobicContact CE1-CD1 4.43Å; F14-L18 WeakPolarHBondContact O-CB 3.42Å; F14-L18 PolarHBondContact O-N 3.07Å
15L94.7Very high91.9Very high96 Ų9665.8 Ų65.850%0.50333%0.329SS..Hα-helixtrans-63.9-40.4176.3-70.7174.4000112.3L11 V12 L18 Y19L11-L15 HydrophobicContact CG-CD1 4.3Å; L11-L15 WeakPolarHBondContact O-CG 3.43Å; L11-L15 PolarHBondContact O-N 3.11Å; V12-L15 PolarHBondContact O-N 3.39Å; L15-L18 WeakPolarHBondContact O-CB 3.45Å; L15-L18 PolarHBondContact O-N 3.06Å; L15-Y19 PolarHBondContact O-N 2.79Å
16L94.6Very high92.1Very high30 Ų3059.1 Ų59.116%0.15731%0.306CS..Hα-helixtrans-64.2-42.4176.1-70.1172.7000111.9V12 Q13 Y19 D20 C47 F50 C51 I54V12-L16 HydrophobicContact CG1-CD1 4.09Å; V12-L16 HydrophobicContact CG1-CG 4.46Å; V12-L16 WeakPolarHBondContact O-CG 3.45Å; V12-L16 PolarHBondContact O-N 2.68Å; Q13-L16 PolarHBondContact O-N 3Å; L16-Y19 PolarHBondContact O-N 3.01Å; L16-D20 PolarHBondContact O-N 3.1Å; L16-C47 HydrophobicContact CD2-CB 4.08Å; L16-F50 HydrophobicContact CD1-CB 4.11Å; L16-C51 WeakPolarHBondContact CB-SG 3.28Å; L16-I54 HydrophobicContact CD1-CD1 3.92Å
17L94.2Very high92.2Very high18 Ų1857.1 Ų57.19%0.09430%0.299CS..Hα-helixtrans-66-38.1174-72.3-179.7000112.7Q13 F14 Y19 D20 L21 Y129 Y130 Y133Q13-L17 WeakPolarHBondContact O-CG 3.46Å; Q13-L17 PolarHBondContact O-N 2.86Å; F14-L17 PolarHBondContact O-N 3.31Å; L17-Y19 VanDerWaalsContact C-N 3.3Å; L17-Y19 PolarHBondContact O-N 3.2Å; L17-D20 PolarHBondContact O-N 3.37Å; L17-L21 WeakPolarHBondContact O-CB 3.36Å; L17-L21 PolarHBondContact O-N 3.33Å; L17-Y129 HydrophobicContact CD2-CD1 4.4Å; L17-Y129 HydrophobicContact CD2-CE1 3.47Å; L17-Y129 VanDerWaalsContact CD2-CE1 3.47Å; L17-Y130 HydrophobicContact CD2-CD1 4.11Å; L17-Y130 HydrophobicContact CD2-CE1 4.36Å; L17-Y133 HydrophobicContact CD1-CD1 3.61Å; L17-Y133 HydrophobicContact CD1-CE1 4.07Å; L17-Y133 HydrophobicContact CD1-CG 4.43Å; L17-Y133 HydrophobicContact CD2-CD1 4.26Å; L17-Y133 HydrophobicContact CG-CD1 4.26Å; L17-Y133 HydrophobicContact CG-CE1 4.39Å
18L94.5Very high91.9Very high94 Ų9456 Ų5649%0.49229%0.294SS..Hα-helixtrans-62-41.9175.9-168.590.8000110.6F14 L15 L21 F22F14-L18 HydrophobicContact CE1-CD1 4.43Å; F14-L18 WeakPolarHBondContact O-CB 3.42Å; F14-L18 PolarHBondContact O-N 3.07Å; L15-L18 WeakPolarHBondContact O-CB 3.45Å; L15-L18 PolarHBondContact O-N 3.06Å; L18-L21 PolarHBondContact O-N 3.08Å; L18-F22 WeakPolarHBondContact O-CB 3.46Å; L18-F22 PolarHBondContact O-N 3.41Å
19Y94.5Very high91.7Very high69 Ų6957.4 Ų57.427%0.27130%0.302SS..Hα-helixtrans-64-44.8175.2-177.3-91.1000111.8L15 L16 L17 L21 F22 A23 V43 Q44 C47L15-Y19 PolarHBondContact O-N 2.79Å; L16-Y19 PolarHBondContact O-N 3.01Å; L17-Y19 VanDerWaalsContact C-N 3.3Å; L17-Y19 PolarHBondContact O-N 3.2Å; Y19-L21 VanDerWaalsContact C-N 3.31Å; Y19-L21 PolarHBondContact O-N 2.83Å; Y19-F22 CarbonylContact O-C 3.6Å; Y19-F22 WeakPolarHBondContact O-CB 3.25Å; Y19-F22 PolarHBondContact O-N 2.88Å; Y19-F22 VanDerWaalsContact O-N 3.12Å; Y19-A23 HydrophobicContact CE1-CB 4.26Å; Y19-A23 WeakPolarHBondContact O-CB 3.44Å; Y19-A23 PolarHBondContact O-N 3.39Å; Y19-V43 HydrophobicContact CD1-CG1 4.29Å; Y19-V43 HydrophobicContact CE1-CB 3.97Å; Y19-V43 HydrophobicContact CE1-CG1 3.43Å; Y19-V43 VanDerWaalsContact CE1-CG1 3.43Å; Y19-V43 HydrophobicContact CE2-CG1 4.29Å; Y19-V43 VanDerWaalsContact CZ-CG1 3.41Å; Y19-V43 WeakPolarHBondContact OH-CB 3.49Å; Y19-V43 VanDerWaalsContact OH-CG1 3.29Å; Y19-V43 WeakPolarHBondContact OH-CG1 3.36Å; Y19-Q44 HydrophobicContact CE1-CB 4.48Å; Y19-C47 HydrophobicContact CD1-CB 4.25Å; Y19-C47 WeakPolarHBondContact CD1-SG 3.27Å
20D95.2Very high91.2Very high2 Ų259.5 Ų59.51%0.01131%0.308CS..Hα-helixtrans-59.4-42.3176.1-177.554.5000111.7L16 L17 F22 A23 N24 Q44 Y87 Y130L16-D20 PolarHBondContact O-N 3.1Å; L17-D20 PolarHBondContact O-N 3.37Å; D20-F22 PolarHBondContact O-N 3.25Å; D20-A23 PolarHBondContact O-N 3.34Å; D20-N24 VanDerWaalsContact O-CB 3.24Å; D20-N24 WeakPolarHBondContact O-CB 3.4Å; D20-N24 VanDerWaalsContact O-CG 3.29Å; D20-N24 PolarHBondContact O-N 2.84Å; D20-N24 PolarHBondContact O-ND2 3.15Å; D20-Q44 WeakPolarHBondContact OD1-CG 3.33Å; D20-Q44 PolarHBondContact OD1-NE2 3.05Å; D20-Y87 WeakPolarHBondContact OD2-CE1 3.34Å; D20-Y87 PolarHBondContact OD2-OH 2.92Å; D20-Y130 HydrophobicContact CB-CE1 4.49Å; D20-Y130 WeakPolarHBondContact OD2-CE1 3.44Å; D20-Y130 PolarHBondContact OD2-OH 3.44Å
21L94.3Very high90.6Very high91 Ų9157.3 Ų57.348%0.47630%0.298SS..Hα-helixtrans-63-42.1173.8-176.865.8000112L17 L18 Y19 N24 A25 Y130L17-L21 WeakPolarHBondContact O-CB 3.36Å; L17-L21 PolarHBondContact O-N 3.33Å; L18-L21 PolarHBondContact O-N 3.08Å; Y19-L21 VanDerWaalsContact C-N 3.31Å; Y19-L21 PolarHBondContact O-N 2.83Å; L21-N24 WeakPolarHBondContact O-CB 3.47Å; L21-N24 PolarHBondContact O-N 3.2Å; L21-A25 WeakPolarHBondContact O-CB 3.44Å; L21-A25 PolarHBondContact O-N 3.07Å; L21-Y130 WeakPolarHBondContact CA-OH 3.49Å; L21-Y130 HydrophobicContact CD1-CE2 3.77Å; L21-Y130 PolarHBondContact N-OH 3.03Å
22F94.2Very high89.9Confident103 Ų10360 Ų6045%0.45231%0.308SS..Hα-helixtrans-64.3-46.2177.2171.9-95.3000112.2L18 Y19 D20 N24 A25 S26 F30L18-F22 WeakPolarHBondContact O-CB 3.46Å; L18-F22 PolarHBondContact O-N 3.41Å; Y19-F22 CarbonylContact O-C 3.6Å; Y19-F22 WeakPolarHBondContact O-CB 3.25Å; Y19-F22 PolarHBondContact O-N 2.88Å; Y19-F22 VanDerWaalsContact O-N 3.12Å; D20-F22 PolarHBondContact O-N 3.25Å; F22-N24 VanDerWaalsContact C-N 3.29Å; F22-N24 PolarHBondContact O-N 3.12Å; F22-A25 PolarHBondContact O-N 3.38Å; F22-S26 WeakPolarHBondContact CD2-OG 3.44Å; F22-S26 WeakPolarHBondContact CE2-OG 3.39Å; F22-S26 WeakPolarHBondContact CZ-OG 3.26Å; F22-S26 VanDerWaalsContact O-CB 3.25Å; F22-S26 WeakPolarHBondContact O-CB 3.49Å; F22-S26 PolarHBondContact O-N 3.48Å; F22-S26 PolarHBondContact O-OG 3.43Å; F22-F30 HydrophobicContact CZ-CE2 4.44Å
23A93Very high89.3Confident0 Ų060.6 Ų60.60%031%0.311CS..Hα-helixtrans-60-44.517700000110.1Y19 D20 A25 S26 S27 I40 Q44Y19-A23 HydrophobicContact CE1-CB 4.26Å; Y19-A23 WeakPolarHBondContact O-CB 3.44Å; Y19-A23 PolarHBondContact O-N 3.39Å; D20-A23 PolarHBondContact O-N 3.34Å; A23-A25 PolarHBondContact O-N 3.43Å; A23-S26 PolarHBondContact O-N 2.92Å; A23-S27 VanDerWaalsContact O-CB 3.29Å; A23-S27 WeakPolarHBondContact O-CB 3.39Å; A23-S27 PolarHBondContact O-N 3.35Å; A23-I40 HydrophobicContact CB-CG2 3.72Å; A23-Q44 HydrophobicContact CB-CB 4Å; A23-Q44 HydrophobicContact CB-CG 3.98Å
24N92.8Very high88.8Confident9 Ų962 Ų625%0.04832%0.319CS..Hα-helixtrans-58.2-48.9173-83.6-46.6000112D20 L21 F22 S27 Q44 Y87 Q122 R123 Y130D20-N24 VanDerWaalsContact O-CB 3.24Å; D20-N24 WeakPolarHBondContact O-CB 3.4Å; D20-N24 VanDerWaalsContact O-CG 3.29Å; D20-N24 PolarHBondContact O-N 2.84Å; D20-N24 PolarHBondContact O-ND2 3.15Å; L21-N24 WeakPolarHBondContact O-CB 3.47Å; L21-N24 PolarHBondContact O-N 3.2Å; F22-N24 VanDerWaalsContact C-N 3.29Å; F22-N24 PolarHBondContact O-N 3.12Å; N24-S27 PolarHBondContact O-OG 2.91Å; N24-Q44 VanDerWaalsContact CG-NE2 3.33Å; N24-Q44 PolarHBondContact ND2-NE2 3.25Å; N24-Q44 PolarHBondContact OD1-NE2 3.22Å; N24-Q44 VanDerWaalsContact OD1-NE2 3.14Å; N24-Y87 PolarHBondContact ND2-OH 3.45Å; N24-Q122 PolarHBondContact OD1-NE2 3.21Å; N24-R123 VanDerWaalsContact O-CZ 3.28Å; N24-R123 PolarHBondContact O-NH1 2.97Å; N24-R123 PolarHBondContact O-NH2 3.43Å; N24-R123 PolarHBondContact OD1-NH1 2.95Å; N24-Y130 PolarHBondContact ND2-OH 3.08Å
25A92.1Very high88.5Confident81 Ų8161.1 Ų61.167%0.66932%0.323SS*.Hα-helixtrans-71.3-33.6-177.600000113.4L21 F22 A23L21-A25 WeakPolarHBondContact O-CB 3.44Å; L21-A25 PolarHBondContact O-N 3.07Å; F22-A25 PolarHBondContact O-N 3.38Å; A23-A25 PolarHBondContact O-N 3.43Å
26S87.9Confident88.1Confident18 Ų1860.2 Ų60.213%0.12632%0.319CS..Hα-helixtrans-100.8-5.1-169.7-47.10000113.8F22 A23 E28 L29 F30F22-S26 WeakPolarHBondContact CD2-OG 3.44Å; F22-S26 WeakPolarHBondContact CE2-OG 3.39Å; F22-S26 WeakPolarHBondContact CZ-OG 3.26Å; F22-S26 VanDerWaalsContact O-CB 3.25Å; F22-S26 WeakPolarHBondContact O-CB 3.49Å; F22-S26 PolarHBondContact O-N 3.48Å; F22-S26 PolarHBondContact O-OG 3.43Å; A23-S26 PolarHBondContact O-N 2.92Å; S26-E28 PolarHBondContact O-N 3.25Å; S26-E28 VanDerWaalsContact O-N 3.14Å; S26-L29 WeakPolarHBondContact O-CB 3.33Å; S26-L29 PolarHBondContact O-N 3.38Å; S26-F30 WeakPolarHBondContact O-CD2 3.3Å; S26-F30 PolarHBondContact O-N 3.25Å
27S85.9Confident87.8Confident5 Ų559.1 Ų59.14%0.03531%0.313CS..THydrogen-bonded Turntrans-53.7-38.1-176.760.50000112.6A23 N24 S31 L37 R123A23-S27 VanDerWaalsContact O-CB 3.29Å; A23-S27 WeakPolarHBondContact O-CB 3.39Å; A23-S27 PolarHBondContact O-N 3.35Å; N24-S27 PolarHBondContact O-OG 2.91Å; S27-S31 PolarHBondContact O-N 3.42Å; S27-L37 WeakPolarHBondContact O-CD1 3.33Å; S27-R123 PolarHBondContact OG-NH2 3.21Å
28E82.3Confident87.6Confident90 Ų9059.9 Ų59.942%0.42132%0.32SS..THydrogen-bonded Turntrans-71.6-31.2179.9-163.357.8-124.100112.5S26 F30 S31S26-E28 PolarHBondContact O-N 3.25Å; S26-E28 VanDerWaalsContact O-N 3.14Å; E28-F30 VanDerWaalsContact C-N 3.32Å; E28-F30 PolarHBondContact O-N 2.91Å; E28-S31 VanDerWaalsContact O-CB 3.29Å; E28-S31 WeakPolarHBondContact O-CB 3.34Å; E28-S31 PolarHBondContact O-N 2.93Å; E28-S31 PolarHBondContact O-OG 2.95Å; E28-S31 PolarHBondContact OE1-OG 3.43Å
29L84.6Confident87.5Confident124 Ų12459.4 Ų59.465%0.64932%0.321SS*.THydrogen-bonded Turntrans-66.5-36.7179.9-177.764.3000112S26 S31S26-L29 WeakPolarHBondContact O-CB 3.33Å; S26-L29 PolarHBondContact O-N 3.38Å; L29-S31 VanDerWaalsContact C-N 3.31Å
30F81Confident87.4Confident76 Ų7657 Ų5733%0.33331%0.313SS..THydrogen-bonded Turntrans-915.9179.8-64.7-75.7000113.1F22 S26 E28 H32 V33 I40F22-F30 HydrophobicContact CZ-CE2 4.44Å; S26-F30 WeakPolarHBondContact O-CD2 3.3Å; S26-F30 PolarHBondContact O-N 3.25Å; E28-F30 VanDerWaalsContact C-N 3.32Å; E28-F30 PolarHBondContact O-N 2.91Å; F30-H32 PolarHBondContact O-N 3.42Å; F30-V33 PolarHBondContact O-N 2.93Å; F30-I40 HydrophobicContact CB-CD1 3.53Å; F30-I40 HydrophobicContact CD1-CD1 4.39Å; F30-I40 HydrophobicContact CD2-CD1 3.34Å; F30-I40 HydrophobicContact CE2-CD1 4.13Å; F30-I40 HydrophobicContact CG-CD1 3.49Å; F30-I40 VanDerWaalsContact CG-CD1 3.49Å
31S77Confident87.3Confident13 Ų1357.6 Ų57.69%0.09132%0.315CS..THydrogen-bonded Turntrans-64.9-28-176.979.60000111.5S27 E28 L29 V33 R102S27-S31 PolarHBondContact O-N 3.42Å; E28-S31 VanDerWaalsContact O-CB 3.29Å; E28-S31 WeakPolarHBondContact O-CB 3.34Å; E28-S31 PolarHBondContact O-N 2.93Å; E28-S31 PolarHBondContact O-OG 2.95Å; E28-S31 PolarHBondContact OE1-OG 3.43Å; L29-S31 VanDerWaalsContact C-N 3.31Å; S31-V33 PolarHBondContact O-N 2.76Å; S31-R102 VanDerWaalsContact C-NH2 3.3Å; S31-R102 PolarHBondContact O-NH1 3.23Å; S31-R102 PolarHBondContact O-NH2 3.38Å
32H76.5Confident87.3Confident157 Ų15757.4 Ų57.473%0.72732%0.317SS*.THydrogen-bonded Turntrans-56.5-24-178.9-61.9-65.4000115.6F30F30-H32 PolarHBondContact O-N 3.42Å
33V81.8Confident87.4Confident72 Ų7255 Ų5544%0.43631%0.311SS..SBendtrans-121.9110.2177.2-178.10000109.3F30 S31 V35 N36 L37F30-V33 PolarHBondContact O-N 2.93Å; S31-V33 PolarHBondContact O-N 2.76Å; V33-V35 VanDerWaalsContact C-N 3.28Å; V33-V35 PolarHBondContact O-N 2.94Å; V33-N36 HydrophobicContact CB-CB 4.15Å; V33-N36 HydrophobicContact CG1-CB 4.36Å; V33-N36 WeakPolarHBondContact O-CB 3.44Å; V33-N36 PolarHBondContact O-N 3.33Å; V33-L37 PolarHBondContact O-N 3.17Å
34N81.6Confident87.5Confident34 Ų3455 Ų5518%0.18231%0.311CS..Hα-helixtrans-48.9-46.5-177.3-75.5-13.5000113.4N36 L37 S38 R102 S106N34-N36 VanDerWaalsContact C-N 3.34Å; N34-N36 PolarHBondContact O-N 2.92Å; N34-L37 PolarHBondContact O-N 2.96Å; N34-S38 PolarHBondContact O-N 3.43Å; N34-S38 PolarHBondContact O-OG 3.29Å; N34-R102 PolarHBondContact ND2-O 2.79Å; N34-R102 PolarHBondContact OD1-NH1 2.98Å; N34-S106 PolarHBondContact ND2-OG 2.75Å
35V86.3Confident87.6Confident101 Ų10155.8 Ų55.861%0.61232%0.315SS*.Hα-helixtrans-62.1-42.1-178.5-179.70000111.4V33 L37 S38 V39V33-V35 VanDerWaalsContact C-N 3.28Å; V33-V35 PolarHBondContact O-N 2.94Å; V35-L37 VanDerWaalsContact C-N 3.35Å; V35-L37 PolarHBondContact O-N 3.05Å; V35-S38 PolarHBondContact O-N 3.25Å; V35-V39 VanDerWaalsContact O-CG2 3.3Å; V35-V39 WeakPolarHBondContact O-CG2 3.12Å; V35-V39 PolarHBondContact O-N 3.46Å
36N86.1Confident87.8Confident78 Ų7855.6 Ų55.642%0.41730%0.302SS..Hα-helixtrans-64.3-43-179.8-66.8-3.2000111V33 N34 V39 I40V33-N36 HydrophobicContact CB-CB 4.15Å; V33-N36 HydrophobicContact CG1-CB 4.36Å; V33-N36 WeakPolarHBondContact O-CB 3.44Å; V33-N36 PolarHBondContact O-N 3.33Å; N34-N36 VanDerWaalsContact C-N 3.34Å; N34-N36 PolarHBondContact O-N 2.92Å; N36-V39 PolarHBondContact O-N 3.15Å; N36-I40 WeakPolarHBondContact O-CG1 3.35Å; N36-I40 PolarHBondContact O-N 3.11Å; N36-I40 VanDerWaalsContact O-N 3.08Å
37L88.9Confident88.2Confident6 Ų655.3 Ų55.33%0.03130%0.3CS..Hα-helixtrans-63.1-46.1177.3-17462.5000111.7S27 V33 N34 V35 V39 I40 Y41S27-L37 WeakPolarHBondContact O-CD1 3.33Å; V33-L37 PolarHBondContact O-N 3.17Å; N34-L37 PolarHBondContact O-N 2.96Å; V35-L37 VanDerWaalsContact C-N 3.35Å; V35-L37 PolarHBondContact O-N 3.05Å; L37-V39 VanDerWaalsContact C-N 3.29Å; L37-V39 PolarHBondContact O-N 2.93Å; L37-I40 PolarHBondContact O-N 3.42Å; L37-Y41 HydrophobicContact CD1-CD1 4.36Å; L37-Y41 HydrophobicContact CD1-CE1 3.67Å; L37-Y41 HydrophobicContact CD1-CE2 4.03Å; L37-Y41 VanDerWaalsContact CD1-CZ 3.48Å; L37-Y41 HydrophobicContact CD2-CE2 3.85Å; L37-Y41 HydrophobicContact CG-CD2 4.15Å; L37-Y41 HydrophobicContact CG-CE1 4.16Å; L37-Y41 HydrophobicContact CG-CE2 3.58Å; L37-Y41 PolarHBondContact O-N 3.46Å
38S88.6Confident88.6Confident35 Ų3555.1 Ų55.125%0.24530%0.299CS..Hα-helixtrans-60.8-38.2176.9-64.60000112.4N34 V35 Y41 V42N34-S38 PolarHBondContact O-N 3.43Å; N34-S38 PolarHBondContact O-OG 3.29Å; V35-S38 PolarHBondContact O-N 3.25Å; S38-Y41 PolarHBondContact O-N 2.91Å; S38-V42 WeakPolarHBondContact O-CG2 3.41Å; S38-V42 PolarHBondContact O-N 2.96Å
39V92.4Very high89.2Confident84 Ų8454.8 Ų54.851%0.50930%0.299SS..Hα-helixtrans-62.8-45.6175.1170.90000111V35 N36 L37 Y41 V42 V43V35-V39 VanDerWaalsContact O-CG2 3.3Å; V35-V39 WeakPolarHBondContact O-CG2 3.12Å; V35-V39 PolarHBondContact O-N 3.46Å; N36-V39 PolarHBondContact O-N 3.15Å; L37-V39 VanDerWaalsContact C-N 3.29Å; L37-V39 PolarHBondContact O-N 2.93Å; V39-Y41 VanDerWaalsContact C-N 3.31Å; V39-Y41 PolarHBondContact O-N 3.26Å; V39-V42 PolarHBondContact O-N 3.23Å; V39-V43 HydrophobicContact CG1-CG2 4.34Å; V39-V43 VanDerWaalsContact O-CG2 3.28Å; V39-V43 WeakPolarHBondContact O-CG2 3.42Å; V39-V43 PolarHBondContact O-N 3.17Å
40I92.8Very high89.8Confident18 Ų1854 Ų549%0.09229%0.291CS..Hα-helixtrans-59.3-44.9177.3-68.4166.5000110.7A23 F30 N36 L37 V43 Q44A23-I40 HydrophobicContact CB-CG2 3.72Å; F30-I40 HydrophobicContact CB-CD1 3.53Å; F30-I40 HydrophobicContact CD1-CD1 4.39Å; F30-I40 HydrophobicContact CD2-CD1 3.34Å; F30-I40 HydrophobicContact CE2-CD1 4.13Å; F30-I40 HydrophobicContact CG-CD1 3.49Å; F30-I40 VanDerWaalsContact CG-CD1 3.49Å; N36-I40 WeakPolarHBondContact O-CG1 3.35Å; N36-I40 PolarHBondContact O-N 3.11Å; N36-I40 VanDerWaalsContact O-N 3.08Å; L37-I40 PolarHBondContact O-N 3.42Å; I40-V43 PolarHBondContact O-N 3.14Å; I40-Q44 VanDerWaalsContact O-CB 3.26Å; I40-Q44 WeakPolarHBondContact O-CB 3.33Å; I40-Q44 PolarHBondContact O-N 3.42Å
41Y93.9Very high90.4Very high14 Ų1450.4 Ų50.46%0.05528%0.275CS..Hα-helixtrans-61.5-46.3178.2-69.3-16.3000113L37 S38 V39 V43 Q44 D45 H95L37-Y41 HydrophobicContact CD1-CD1 4.36Å; L37-Y41 HydrophobicContact CD1-CE1 3.67Å; L37-Y41 HydrophobicContact CD1-CE2 4.03Å; L37-Y41 VanDerWaalsContact CD1-CZ 3.48Å; L37-Y41 HydrophobicContact CD2-CE2 3.85Å; L37-Y41 HydrophobicContact CG-CD2 4.15Å; L37-Y41 HydrophobicContact CG-CE1 4.16Å; L37-Y41 HydrophobicContact CG-CE2 3.58Å; L37-Y41 PolarHBondContact O-N 3.46Å; S38-Y41 PolarHBondContact O-N 2.91Å; V39-Y41 VanDerWaalsContact C-N 3.31Å; V39-Y41 PolarHBondContact O-N 3.26Å; Y41-V43 PolarHBondContact O-N 3.22Å; Y41-Q44 WeakPolarHBondContact O-CB 3.4Å; Y41-Q44 PolarHBondContact O-N 2.86Å; Y41-D45 PolarHBondContact O-N 2.84Å; Y41-H95 AromaticContact CD1-CD2 3.4Å; Y41-H95 WeakPolarHBondContact CD1-CD2 3.25Å; Y41-H95 AromaticContact CD1-NE2 3.47Å; Y41-H95 WeakPolarHBondContact CD1-NE2 3.26Å; Y41-H95 HydrophobicContact CD2-CB 3.96Å; Y41-H95 AromaticContact CD2-CD2 3.79Å; Y41-H95 AromaticContact CD2-CG 3.95Å; Y41-H95 AromaticContact CE1-CD2 3.77Å; Y41-H95 AromaticContact CE1-NE2 3.96Å; Y41-H95 HydrophobicContact CG-CB 4.08Å; Y41-H95 AromaticContact CG-CD2 3.41Å; Y41-H95 VanDerWaalsContact CG-CD2 3.41Å; Y41-H95 AromaticContact CG-CG 3.62Å; Y41-H95 AromaticContact CG-NE2 3.86Å
42V94Very high91.1Very high87 Ų8751.3 Ų51.353%0.52728%0.282SS..Hα-helixtrans-62.9-44.7178.11710000111.1S38 V39 Q44 D45 L46S38-V42 WeakPolarHBondContact O-CG2 3.41Å; S38-V42 PolarHBondContact O-N 2.96Å; V39-V42 PolarHBondContact O-N 3.23Å; V42-Q44 VanDerWaalsContact C-N 3.32Å; V42-Q44 PolarHBondContact O-N 3.41Å; V42-D45 PolarHBondContact O-N 3.48Å; V42-L46 HydrophobicContact CG1-CD1 4.18Å; V42-L46 VanDerWaalsContact O-CG 3.29Å; V42-L46 WeakPolarHBondContact O-CG 3.48Å; V42-L46 PolarHBondContact O-N 3.38Å
43V95.1Very high91.9Very high53 Ų5348.3 Ų48.332%0.32127%0.271SS..Hα-helixtrans-66.3-38178.9-179.50000110.7Y19 V39 I40 Y41 L46 C47Y19-V43 HydrophobicContact CD1-CG1 4.29Å; Y19-V43 HydrophobicContact CE1-CB 3.97Å; Y19-V43 HydrophobicContact CE1-CG1 3.43Å; Y19-V43 VanDerWaalsContact CE1-CG1 3.43Å; Y19-V43 HydrophobicContact CE2-CG1 4.29Å; Y19-V43 VanDerWaalsContact CZ-CG1 3.41Å; Y19-V43 WeakPolarHBondContact OH-CB 3.49Å; Y19-V43 VanDerWaalsContact OH-CG1 3.29Å; Y19-V43 WeakPolarHBondContact OH-CG1 3.36Å; V39-V43 HydrophobicContact CG1-CG2 4.34Å; V39-V43 VanDerWaalsContact O-CG2 3.28Å; V39-V43 WeakPolarHBondContact O-CG2 3.42Å; V39-V43 PolarHBondContact O-N 3.17Å; I40-V43 PolarHBondContact O-N 3.14Å; Y41-V43 PolarHBondContact O-N 3.22Å; V43-L46 PolarHBondContact O-N 3.26Å; V43-C47 PolarHBondContact O-N 3.24Å; V43-C47 PolarHBondContact O-SG 2.94Å
44Q95.8Very high92.5Very high1 Ų146.4 Ų46.41%0.00526%0.258CS..Hα-helixtrans-60.5-48.7175-174.9178.8-5.500111.7Y19 D20 A23 N24 I40 Y41 V42 L46 C47 I48Y19-Q44 HydrophobicContact CE1-CB 4.48Å; D20-Q44 WeakPolarHBondContact OD1-CG 3.33Å; D20-Q44 PolarHBondContact OD1-NE2 3.05Å; A23-Q44 HydrophobicContact CB-CB 4Å; A23-Q44 HydrophobicContact CB-CG 3.98Å; N24-Q44 VanDerWaalsContact CG-NE2 3.33Å; N24-Q44 PolarHBondContact ND2-NE2 3.25Å; N24-Q44 PolarHBondContact OD1-NE2 3.22Å; N24-Q44 VanDerWaalsContact OD1-NE2 3.14Å; I40-Q44 VanDerWaalsContact O-CB 3.26Å; I40-Q44 WeakPolarHBondContact O-CB 3.33Å; I40-Q44 PolarHBondContact O-N 3.42Å; Y41-Q44 WeakPolarHBondContact O-CB 3.4Å; Y41-Q44 PolarHBondContact O-N 2.86Å; V42-Q44 VanDerWaalsContact C-N 3.32Å; V42-Q44 PolarHBondContact O-N 3.41Å; Q44-L46 VanDerWaalsContact C-N 3.31Å; Q44-L46 PolarHBondContact O-N 2.93Å; Q44-C47 WeakPolarHBondContact O-CB 3.29Å; Q44-C47 PolarHBondContact O-N 2.88Å; Q44-C47 VanDerWaalsContact O-N 3.08Å; Q44-I48 HydrophobicContact CG-CD1 4.36Å; Q44-I48 WeakPolarHBondContact O-CG1 3.47Å; Q44-I48 PolarHBondContact O-N 3.33Å
45D95.3Very high92.9Very high24 Ų2445.1 Ų45.113%0.12825%0.251CS..Hα-helixtrans-61.2-40.6177.9-70.6-30.2000111.6Y41 V42 C47 I48 L49 H95Y41-D45 PolarHBondContact O-N 2.84Å; V42-D45 PolarHBondContact O-N 3.48Å; D45-C47 VanDerWaalsContact C-N 3.35Å; D45-C47 PolarHBondContact O-N 3.5Å; D45-I48 PolarHBondContact O-N 3.27Å; D45-L49 WeakPolarHBondContact O-CB 3.32Å; D45-L49 WeakPolarHBondContact O-CG 3.33Å; D45-L49 PolarHBondContact O-N 2.73Å; D45-H95 IonicContact OD1-CE1 3.21Å; D45-H95 PolarHBondContact OD1-CE1 3.24Å; D45-H95 IonicContact OD1-ND1 3.02Å; D45-H95 PolarHBondContact OD1-ND1 2.86Å; D45-H95 IonicContact OD2-CE1 3.76Å; D45-H95 IonicContact OD2-CG 3.86Å; D45-H95 IonicContact OD2-ND1 2.85Å; D45-H95 PolarHBondContact OD2-ND1 3.35Å
46L95.9Very high93.2Very high77 Ų7743.4 Ų43.440%0.40324%0.242SC..Hα-helixtrans-62.4-40.5173.5-71175.2000112.1V42 V43 Q44 L49 F50V42-L46 HydrophobicContact CG1-CD1 4.18Å; V42-L46 VanDerWaalsContact O-CG 3.29Å; V42-L46 WeakPolarHBondContact O-CG 3.48Å; V42-L46 PolarHBondContact O-N 3.38Å; V43-L46 PolarHBondContact O-N 3.26Å; Q44-L46 VanDerWaalsContact C-N 3.31Å; Q44-L46 PolarHBondContact O-N 2.93Å; L46-L49 PolarHBondContact O-N 3.2Å; L46-F50 HydrophobicContact CB-CD2 4.42Å; L46-F50 HydrophobicContact CB-CE2 4.24Å; L46-F50 WeakPolarHBondContact O-CB 3.26Å; L46-F50 WeakPolarHBondContact O-CD2 3.29Å; L46-F50 WeakPolarHBondContact O-CG 3.37Å; L46-F50 PolarHBondContact O-N 3.12Å
47C96.1Very high93.4Very high13 Ų1344.4 Ų44.49%0.08825%0.247CC..Hα-helixtrans-62.4-43.8176-73.60000112L16 Y19 V43 Q44 D45 F50 C51L16-C47 HydrophobicContact CD2-CB 4.08Å; Y19-C47 HydrophobicContact CD1-CB 4.25Å; Y19-C47 WeakPolarHBondContact CD1-SG 3.27Å; V43-C47 PolarHBondContact O-N 3.24Å; V43-C47 PolarHBondContact O-SG 2.94Å; Q44-C47 WeakPolarHBondContact O-CB 3.29Å; Q44-C47 PolarHBondContact O-N 2.88Å; Q44-C47 VanDerWaalsContact O-N 3.08Å; D45-C47 VanDerWaalsContact C-N 3.35Å; D45-C47 PolarHBondContact O-N 3.5Å; C47-F50 PolarHBondContact O-N 3.49Å; C47-C51 WeakPolarHBondContact O-CB 3.28Å; C47-C51 PolarHBondContact O-N 3.25Å
48I94.7Very high93.4Very high1 Ų144.7 Ų44.71%0.00525%0.249CC..Hα-helixtrans-63.1-44.3176.4-61.2165.3000110.2Q44 D45 C51 S52 Y87 L88Q44-I48 HydrophobicContact CG-CD1 4.36Å; Q44-I48 WeakPolarHBondContact O-CG1 3.47Å; Q44-I48 PolarHBondContact O-N 3.33Å; D45-I48 PolarHBondContact O-N 3.27Å; I48-C51 WeakPolarHBondContact O-CB 3.07Å; I48-C51 PolarHBondContact O-N 3.4Å; I48-S52 PolarHBondContact O-N 3.44Å; I48-Y87 HydrophobicContact CD1-CD1 3.88Å; I48-Y87 HydrophobicContact CD1-CE1 3.46Å; I48-Y87 VanDerWaalsContact CD1-CE1 3.46Å; I48-Y87 HydrophobicContact CG1-CD1 4.34Å; I48-Y87 HydrophobicContact CG1-CE1 4.02Å; I48-Y87 HydrophobicContact CG2-CD1 4.38Å; I48-L88 HydrophobicContact CB-CD1 4.14Å; I48-L88 HydrophobicContact CG2-CB 4.14Å; I48-L88 HydrophobicContact CG2-CD1 3.83Å
49L95.4Very high93.4Very high82 Ų8243.6 Ų43.643%0.42924%0.24SC..Hα-helixtrans-60.4-46.7176.3-76.7172.7000112.2D45 L46 S52 L53 L88D45-L49 WeakPolarHBondContact O-CB 3.32Å; D45-L49 WeakPolarHBondContact O-CG 3.33Å; D45-L49 PolarHBondContact O-N 2.73Å; L46-L49 PolarHBondContact O-N 3.2Å; L49-S52 WeakPolarHBondContact O-CB 3.36Å; L49-S52 PolarHBondContact O-N 2.88Å; L49-L53 WeakPolarHBondContact O-CB 3.41Å; L49-L53 PolarHBondContact O-N 2.97Å; L49-L88 HydrophobicContact CD2-CD1 4.21Å; L49-L88 HydrophobicContact CD2-CD2 3.63Å; L49-L88 HydrophobicContact CG-CD1 4.12Å; L49-L88 HydrophobicContact CG-CD2 4.44Å
50F95.7Very high93.1Very high107 Ų10742 Ų4247%0.46923%0.232SC..Hα-helixtrans-65-40177-73.3-50.4000112.1L16 L46 C47 S52 L53 I54L16-F50 HydrophobicContact CD1-CB 4.11Å; L46-F50 HydrophobicContact CB-CD2 4.42Å; L46-F50 HydrophobicContact CB-CE2 4.24Å; L46-F50 WeakPolarHBondContact O-CB 3.26Å; L46-F50 WeakPolarHBondContact O-CD2 3.29Å; L46-F50 WeakPolarHBondContact O-CG 3.37Å; L46-F50 PolarHBondContact O-N 3.12Å; C47-F50 PolarHBondContact O-N 3.49Å; F50-S52 VanDerWaalsContact C-N 3.3Å; F50-S52 PolarHBondContact O-N 3.39Å; F50-L53 PolarHBondContact O-N 2.96Å; F50-I54 WeakPolarHBondContact O-CB 3.41Å; F50-I54 VanDerWaalsContact O-CG1 3.25Å; F50-I54 WeakPolarHBondContact O-CG1 3.38Å; F50-I54 PolarHBondContact O-N 3.41Å
51C93.6Very high92.8Very high1 Ų143.1 Ų43.11%0.00724%0.242CC..Hα-helixtrans-57.7-43.6172.2-90.70000112L16 C47 I48 F55 Y133L16-C51 WeakPolarHBondContact CB-SG 3.28Å; C47-C51 WeakPolarHBondContact O-CB 3.28Å; C47-C51 PolarHBondContact O-N 3.25Å; I48-C51 WeakPolarHBondContact O-CB 3.07Å; I48-C51 PolarHBondContact O-N 3.4Å; C51-F55 WeakPolarHBondContact O-CB 3.46Å; C51-F55 PolarHBondContact O-N 3.32Å; C51-Y133 HydrophobicContact CB-CE2 4.17Å; C51-Y133 PolarHBondContact O-OH 3.41Å
52S92.4Very high92.5Very high33 Ų3342.5 Ų42.523%0.23124%0.239CC..Hα-helixtrans-65.4-43.5176.5-174.60000111.7I48 L49 F50 F55 C56I48-S52 PolarHBondContact O-N 3.44Å; L49-S52 WeakPolarHBondContact O-CB 3.36Å; L49-S52 PolarHBondContact O-N 2.88Å; F50-S52 VanDerWaalsContact C-N 3.3Å; F50-S52 PolarHBondContact O-N 3.39Å; S52-F55 WeakPolarHBondContact O-CB 3.5Å; S52-F55 PolarHBondContact O-N 3.43Å; S52-C56 PolarHBondContact O-N 2.85Å; S52-C56 PolarHBondContact O-SG 2.89Å; S52-C56 VanDerWaalsContact O-SG 3.35Å
53L94.2Very high92Very high94 Ų9441.6 Ų41.649%0.49223%0.229SC..Hα-helixtrans-62.7-47178.2-175.8148.2000111.8L49 F50 F55 C56 L57L49-L53 WeakPolarHBondContact O-CB 3.41Å; L49-L53 PolarHBondContact O-N 2.97Å; F50-L53 PolarHBondContact O-N 2.96Å; L53-F55 VanDerWaalsContact C-N 3.28Å; L53-F55 PolarHBondContact O-N 3.35Å; L53-C56 PolarHBondContact O-N 2.91Å; L53-L57 HydrophobicContact CD2-CD1 3.57Å; L53-L57 HydrophobicContact CD2-CG 4.12Å; L53-L57 WeakPolarHBondContact O-CG 3.44Å; L53-L57 PolarHBondContact O-N 3.33Å
54I92.9Very high91.4Very high31 Ų3139.2 Ų39.216%0.15921%0.214CC..Hα-helixtrans-60.7-41.6176.5-66.7167.6000110.2V9 V12 Q13 L16 F50 L57 L58V9-I54 HydrophobicContact CG1-CG2 3.56Å; V12-I54 HydrophobicContact CG1-CD1 3.91Å; Q13-I54 HydrophobicContact CG-CG2 3.87Å; L16-I54 HydrophobicContact CD1-CD1 3.92Å; F50-I54 WeakPolarHBondContact O-CB 3.41Å; F50-I54 VanDerWaalsContact O-CG1 3.25Å; F50-I54 WeakPolarHBondContact O-CG1 3.38Å; F50-I54 PolarHBondContact O-N 3.41Å; I54-L57 PolarHBondContact O-N 3.4Å; I54-L58 HydrophobicContact CG2-CD1 4.24Å; I54-L58 HydrophobicContact CG2-CG 4.45Å; I54-L58 WeakPolarHBondContact O-CG 3.46Å; I54-L58 PolarHBondContact O-N 3.41Å
55F91.4Very high90.8Very high8 Ų842.4 Ų42.44%0.03523%0.228CC..Hα-helixtrans-59.7-46.7175.8172.9-109.7000111.8C51 S52 L53 L57 L58 L59 F77 I81 Y133 T136 L140C51-F55 WeakPolarHBondContact O-CB 3.46Å; C51-F55 PolarHBondContact O-N 3.32Å; S52-F55 WeakPolarHBondContact O-CB 3.5Å; S52-F55 PolarHBondContact O-N 3.43Å; L53-F55 VanDerWaalsContact C-N 3.28Å; L53-F55 PolarHBondContact O-N 3.35Å; F55-L57 VanDerWaalsContact C-N 3.33Å; F55-L57 PolarHBondContact O-N 2.75Å; F55-L58 PolarHBondContact O-N 2.98Å; F55-L59 HydrophobicContact CD1-CD1 4.16Å; F55-L59 HydrophobicContact CD2-CG 4.47Å; F55-L59 HydrophobicContact CE1-CD1 3.48Å; F55-L59 VanDerWaalsContact CE1-CD1 3.48Å; F55-L59 HydrophobicContact CE1-CG 4.15Å; F55-L59 HydrophobicContact CE2-CD1 4.13Å; F55-L59 HydrophobicContact CE2-CD2 4Å; F55-L59 HydrophobicContact CE2-CG 3.94Å; F55-L59 HydrophobicContact CZ-CD1 3.47Å; F55-L59 VanDerWaalsContact CZ-CD1 3.47Å; F55-L59 HydrophobicContact CZ-CD2 3.95Å; F55-L59 HydrophobicContact CZ-CG 3.8Å; F55-L59 WeakPolarHBondContact O-CG 3.42Å; F55-L59 PolarHBondContact O-N 3.06Å; F55-F77 HydrophobicContact CZ-CB 4.04Å; F55-F77 HydrophobicContact CZ-CD1 4.37Å; F55-F77 HydrophobicContact CZ-CG 4.26Å; F55-I81 HydrophobicContact CE1-CG1 3.87Å; F55-Y133 HydrophobicContact CB-CE2 4.37Å; F55-T136 HydrophobicContact CD2-CG2 3.94Å; F55-T136 HydrophobicContact CE2-CG2 3.21Å; F55-T136 HydrophobicContact CZ-CG2 3.91Å; F55-L140 HydrophobicContact CD2-CD2 4.14Å; F55-L140 HydrophobicContact CE2-CD2 4.12Å
56C91.1Very high90.3Very high64 Ų6447.9 Ų47.943%0.43225%0.253SS..Hα-helixtrans-61.1-39.4175.1-69.30000112.8S52 L53 L59 S60S52-C56 PolarHBondContact O-N 2.85Å; S52-C56 PolarHBondContact O-SG 2.89Å; S52-C56 VanDerWaalsContact O-SG 3.35Å; L53-C56 PolarHBondContact O-N 2.91Å; C56-L59 PolarHBondContact O-N 3.35Å; C56-S60 WeakPolarHBondContact O-CB 3.46Å; C56-S60 PolarHBondContact O-N 3.29Å; C56-S60 PolarHBondContact O-OG 3.13Å
57L90.6Very high89.8Confident100 Ų10046.3 Ų46.352%0.52425%0.251SS..Hα-helixtrans-64.9-39.7175.3-71.7178.1000112.1L53 I54 F55 S60 S61L53-L57 HydrophobicContact CD2-CD1 3.57Å; L53-L57 HydrophobicContact CD2-CG 4.12Å; L53-L57 WeakPolarHBondContact O-CG 3.44Å; L53-L57 PolarHBondContact O-N 3.33Å; I54-L57 PolarHBondContact O-N 3.4Å; F55-L57 VanDerWaalsContact C-N 3.33Å; F55-L57 PolarHBondContact O-N 2.75Å; L57-S60 PolarHBondContact O-N 3.01Å; L57-S61 WeakPolarHBondContact O-CB 2.86Å; L57-S61 PolarHBondContact O-N 3.25Å; L57-S61 PolarHBondContact O-OG 2.95Å
58L89.2Confident89.2Confident12 Ų1248.1 Ų48.16%0.06327%0.272CS..Hα-helixtrans-65.5-44.8175.8-73171000111.2M1 V9 I54 F55 S60 S61 T62 L140M1-L58 HydrophobicContact CE-CD2 4.15Å; V9-L58 HydrophobicContact CG1-CD1 3.88Å; V9-L58 HydrophobicContact CG1-CD2 4.03Å; V9-L58 HydrophobicContact CG1-CG 4.19Å; I54-L58 HydrophobicContact CG2-CD1 4.24Å; I54-L58 HydrophobicContact CG2-CG 4.45Å; I54-L58 WeakPolarHBondContact O-CG 3.46Å; I54-L58 PolarHBondContact O-N 3.41Å; F55-L58 PolarHBondContact O-N 2.98Å; L58-S60 VanDerWaalsContact C-N 3.32Å; L58-S60 PolarHBondContact O-N 3.35Å; L58-S61 WeakPolarHBondContact O-CB 3.38Å; L58-S61 PolarHBondContact O-N 2.99Å; L58-S61 VanDerWaalsContact O-N 3.11Å; L58-T62 PolarHBondContact O-N 2.93Å; L58-L140 HydrophobicContact CB-CD2 3.34Å; L58-L140 HydrophobicContact CB-CG 4.26Å; L58-L140 HydrophobicContact CD1-CD2 3.94Å; L58-L140 HydrophobicContact CG-CD2 4.26Å
59L88.6Confident88.7Confident12 Ų1252.2 Ų52.26%0.06329%0.288CS..Hα-helixtrans-56.9-46.3173.1-71.3-178000111.4F55 C56 S61 T62 F65 L73 F77 L140F55-L59 HydrophobicContact CD1-CD1 4.16Å; F55-L59 HydrophobicContact CD2-CG 4.47Å; F55-L59 HydrophobicContact CE1-CD1 3.48Å; F55-L59 VanDerWaalsContact CE1-CD1 3.48Å; F55-L59 HydrophobicContact CE1-CG 4.15Å; F55-L59 HydrophobicContact CE2-CD1 4.13Å; F55-L59 HydrophobicContact CE2-CD2 4Å; F55-L59 HydrophobicContact CE2-CG 3.94Å; F55-L59 HydrophobicContact CZ-CD1 3.47Å; F55-L59 VanDerWaalsContact CZ-CD1 3.47Å; F55-L59 HydrophobicContact CZ-CD2 3.95Å; F55-L59 HydrophobicContact CZ-CG 3.8Å; F55-L59 WeakPolarHBondContact O-CG 3.42Å; F55-L59 PolarHBondContact O-N 3.06Å; C56-L59 PolarHBondContact O-N 3.35Å; L59-S61 PolarHBondContact O-N 3.18Å; L59-T62 WeakPolarHBondContact O-CB 3.43Å; L59-T62 PolarHBondContact O-N 2.69Å; L59-T62 VanDerWaalsContact O-N 3.09Å; L59-T62 PolarHBondContact O-OG1 3.33Å; L59-F65 VanDerWaalsContact O-CB 3.26Å; L59-F65 WeakPolarHBondContact O-CB 3.34Å; L59-L73 HydrophobicContact CB-CD2 3.8Å; L59-L73 HydrophobicContact CD2-CD1 4.19Å; L59-L73 HydrophobicContact CD2-CD2 3.73Å; L59-L73 HydrophobicContact CD2-CG 3.88Å; L59-L73 HydrophobicContact CG-CD2 4.23Å; L59-F77 HydrophobicContact CD2-CD2 3.62Å; L59-F77 HydrophobicContact CD2-CE2 3.86Å; L59-F77 HydrophobicContact CD2-CG 4.14Å; L59-L140 HydrophobicContact CD2-CD1 3.88Å; L59-L140 HydrophobicContact CD2-CD2 4.34Å
60S87.2Confident88.3Confident49 Ų4951.5 Ų51.534%0.34328%0.284SS..Hα-helixtrans-65-23.2179-54.90000113.3C56 L57 L58 T62C56-S60 WeakPolarHBondContact O-CB 3.46Å; C56-S60 PolarHBondContact O-N 3.29Å; C56-S60 PolarHBondContact O-OG 3.13Å; L57-S60 PolarHBondContact O-N 3.01Å; L58-S60 VanDerWaalsContact C-N 3.32Å; L58-S60 PolarHBondContact O-N 3.35Å; S60-T62 VanDerWaalsContact C-N 3.34Å
61S86.2Confident87.7Confident43 Ų4352.9 Ų52.930%0.30130%0.296SS..THydrogen-bonded Turntrans-83.7-8.3177.6-58.40000113.2L57 L58 L59 Y146L57-S61 WeakPolarHBondContact O-CB 2.86Å; L57-S61 PolarHBondContact O-N 3.25Å; L57-S61 PolarHBondContact O-OG 2.95Å; L58-S61 WeakPolarHBondContact O-CB 3.38Å; L58-S61 PolarHBondContact O-N 2.99Å; L58-S61 VanDerWaalsContact O-N 3.11Å; L59-S61 PolarHBondContact O-N 3.18Å; S61-Y146 WeakPolarHBondContact O-CD1 3.29Å
62T87.2Confident87.3Confident0 Ų053.8 Ų53.80%030%0.301CS..SBendtrans-74.5148.3177.165.60000111.5L58 L59 S60 V64 F65 Q66 L140 Y145 Y146L58-T62 PolarHBondContact O-N 2.93Å; L59-T62 WeakPolarHBondContact O-CB 3.43Å; L59-T62 PolarHBondContact O-N 2.69Å; L59-T62 VanDerWaalsContact O-N 3.09Å; L59-T62 PolarHBondContact O-OG1 3.33Å; S60-T62 VanDerWaalsContact C-N 3.34Å; T62-V64 VanDerWaalsContact C-N 3.27Å; T62-V64 PolarHBondContact O-N 2.9Å; T62-F65 PolarHBondContact O-N 2.82Å; T62-F65 PolarHBondContact OG1-N 3.32Å; T62-Q66 WeakPolarHBondContact O-CG 3.23Å; T62-Q66 PolarHBondContact O-N 2.95Å; T62-Q66 VanDerWaalsContact O-N 3.12Å; T62-L140 HydrophobicContact CG2-CD1 3.83Å; T62-Y145 WeakPolarHBondContact CB-O 3.43Å; T62-Y146 HydrophobicContact CG2-CE1 4.17Å
63F83.2Confident87Confident69 Ų6952.4 Ų52.430%0.30329%0.291SS..Hα-helixtrans-61.7-37.9176.7178.3-102.4000111.3F65 Q66 A67 Y145 D148F63-F65 VanDerWaalsContact C-N 3.29Å; F63-F65 PolarHBondContact O-N 2.93Å; F63-Q66 PolarHBondContact O-N 3.4Å; F63-Q66 VanDerWaalsContact O-N 3.15Å; F63-A67 HydrophobicContact CE1-CB 4.33Å; F63-A67 HydrophobicContact CZ-CB 4.48Å; F63-A67 VanDerWaalsContact O-CB 3.28Å; F63-A67 WeakPolarHBondContact O-CB 3.3Å; F63-A67 PolarHBondContact O-N 3.4Å; F63-Y145 PolarHBondContact N-O 3.43Å; F63-D148 HydrophobicContact CE1-CB 4.02Å; F63-D148 WeakPolarHBondContact CE1-OD1 3.32Å; F63-D148 HydrophobicContact CZ-CB 4.01Å
64V81.8Confident86.6Confident3 Ų351.6 Ų51.62%0.01829%0.287CS..Hα-helixtrans-56.2-43.2177.1-1780000111.4T62 G68 Y69 L72 L73 Y145 I152T62-V64 VanDerWaalsContact C-N 3.27Å; T62-V64 PolarHBondContact O-N 2.9Å; V64-G68 PolarHBondContact O-N 3.34Å; V64-Y69 PolarHBondContact O-N 2.88Å; V64-L72 HydrophobicContact CG1-CD2 4.34Å; V64-L73 HydrophobicContact CB-CD1 4.48Å; V64-L73 HydrophobicContact CG1-CB 4.44Å; V64-L73 HydrophobicContact CG1-CD1 4.46Å; V64-Y145 HydrophobicContact CG2-CD1 4.32Å; V64-I152 HydrophobicContact CG2-CD1 3.56Å; V64-I152 HydrophobicContact CG2-CG1 4.16Å; V64-I152 HydrophobicContact CG2-CG2 4.05Å
65F84.7Confident86.3Confident68 Ų6853.9 Ų53.930%0.29831%0.305SS..Hα-helixtrans-69.4-44.3176.6-169.2-86.3000111.7L59 T62 F63 A67 G68 I70 L73L59-F65 VanDerWaalsContact O-CB 3.26Å; L59-F65 WeakPolarHBondContact O-CB 3.34Å; T62-F65 PolarHBondContact O-N 2.82Å; T62-F65 PolarHBondContact OG1-N 3.32Å; F63-F65 VanDerWaalsContact C-N 3.29Å; F63-F65 PolarHBondContact O-N 2.93Å; F65-A67 VanDerWaalsContact C-N 3.27Å; F65-A67 PolarHBondContact O-N 3.47Å; F65-G68 PolarHBondContact O-N 2.92Å; F65-I70 HydrophobicContact CD2-CG1 3.81Å; F65-I70 HydrophobicContact CD2-CG2 4.34Å; F65-I70 HydrophobicContact CE2-CB 4.44Å; F65-I70 HydrophobicContact CE2-CD1 3.99Å; F65-I70 HydrophobicContact CE2-CG1 3.73Å; F65-I70 HydrophobicContact CE2-CG2 3.99Å; F65-I70 HydrophobicContact CG-CG1 4.41Å; F65-I70 HydrophobicContact CZ-CD1 4.09Å; F65-I70 HydrophobicContact CZ-CG1 4.27Å; F65-L73 HydrophobicContact CB-CD2 4.08Å; F65-L73 HydrophobicContact CD2-CD2 4.04Å
66Q84.1Confident86.1Confident138 Ų13855.4 Ų55.465%0.64531%0.312SS*.Hα-helixtrans-64.4-31.6179-68.9177-2.100112.9T62 F63 G68T62-Q66 WeakPolarHBondContact O-CG 3.23Å; T62-Q66 PolarHBondContact O-N 2.95Å; T62-Q66 VanDerWaalsContact O-N 3.12Å; F63-Q66 PolarHBondContact O-N 3.4Å; F63-Q66 VanDerWaalsContact O-N 3.15Å; Q66-G68 PolarHBondContact O-N 3.28Å
67A85.2Confident86Confident44 Ų4452.5 Ų52.536%0.36429%0.292SS..THydrogen-bonded Turntrans-77.5-2.3173.600000113.3F63 F65 Y69F63-A67 HydrophobicContact CE1-CB 4.33Å; F63-A67 HydrophobicContact CZ-CB 4.48Å; F63-A67 VanDerWaalsContact O-CB 3.28Å; F63-A67 WeakPolarHBondContact O-CB 3.3Å; F63-A67 PolarHBondContact O-N 3.4Å; F65-A67 VanDerWaalsContact C-N 3.27Å; F65-A67 PolarHBondContact O-N 3.47Å; A67-Y69 HydrophobicContact CB-CD2 3.69Å; A67-Y69 HydrophobicContact CB-CE2 3.79Å
68G84.8Confident86Confident51 Ų5154.2 Ų54.253%0.52630%0.296SS..THydrogen-bonded Turntrans88.43.4176.200000115.3V64 F65 Q66 I70V64-G68 PolarHBondContact O-N 3.34Å; F65-G68 PolarHBondContact O-N 2.92Å; Q66-G68 PolarHBondContact O-N 3.28Å; G68-I70 PolarHBondContact O-N 3.33Å
69Y83.4Confident86.1Confident88 Ų8857.8 Ų57.835%0.34532%0.315SS..  trans-83.349.7-179.7-59.2-68.4000112.8V64 A67 N71 L72 L73 V156 F160V64-Y69 PolarHBondContact O-N 2.88Å; A67-Y69 HydrophobicContact CB-CD2 3.69Å; A67-Y69 HydrophobicContact CB-CE2 3.79Å; Y69-N71 VanDerWaalsContact C-N 3.31Å; Y69-N71 PolarHBondContact O-N 3.39Å; Y69-L72 PolarHBondContact O-N 3.33Å; Y69-L73 PolarHBondContact O-N 2.9Å; Y69-V156 HydrophobicContact CD1-CB 4.48Å; Y69-V156 HydrophobicContact CD1-CG1 3.89Å; Y69-V156 HydrophobicContact CD1-CG2 3.74Å; Y69-V156 HydrophobicContact CD2-CG2 3.86Å; Y69-V156 HydrophobicContact CE1-CB 4.19Å; Y69-V156 HydrophobicContact CE1-CG1 3.24Å; Y69-V156 HydrophobicContact CE1-CG2 3.82Å; Y69-V156 HydrophobicContact CE2-CG1 4.34Å; Y69-V156 HydrophobicContact CE2-CG2 3.93Å; Y69-V156 HydrophobicContact CG-CG2 3.77Å; Y69-F160 HydrophobicContact CD1-CE2 4.37Å; Y69-F160 HydrophobicContact CE1-CE2 4.2Å
70I86.3Confident86.3Confident66 Ų6657.5 Ų57.534%0.33831%0.314SS..Hα-helixtrans-62.4-38.6-174.5-58169.5000111.2F65 G68 L72 L73 L74F65-I70 HydrophobicContact CD2-CG1 3.81Å; F65-I70 HydrophobicContact CD2-CG2 4.34Å; F65-I70 HydrophobicContact CE2-CB 4.44Å; F65-I70 HydrophobicContact CE2-CD1 3.99Å; F65-I70 HydrophobicContact CE2-CG1 3.73Å; F65-I70 HydrophobicContact CE2-CG2 3.99Å; F65-I70 HydrophobicContact CG-CG1 4.41Å; F65-I70 HydrophobicContact CZ-CD1 4.09Å; F65-I70 HydrophobicContact CZ-CG1 4.27Å; G68-I70 PolarHBondContact O-N 3.33Å; I70-L72 VanDerWaalsContact C-N 3.31Å; I70-L72 PolarHBondContact O-N 2.87Å; I70-L73 PolarHBondContact O-N 2.92Å; I70-L73 VanDerWaalsContact O-N 3.15Å; I70-L74 HydrophobicContact CG2-CD1 3.85Å; I70-L74 HydrophobicContact CG2-CG 4.04Å; I70-L74 WeakPolarHBondContact O-CB 3.44Å; I70-L74 WeakPolarHBondContact O-CG 3.17Å; I70-L74 PolarHBondContact O-N 3.25Å
71N84.7Confident86.6Confident136 Ų13657.6 Ų57.673%0.72731%0.31SS*.Hα-helixtrans-62.7-37.2-179.7-69.7-16.5000112.6Y69 S75Y69-N71 VanDerWaalsContact C-N 3.31Å; Y69-N71 PolarHBondContact O-N 3.39Å; N71-S75 WeakPolarHBondContact O-CB 3.34Å; N71-S75 PolarHBondContact O-N 3.4Å; N71-S75 PolarHBondContact O-OG 2.96Å
72L84.2Confident87Confident20 Ų2060.2 Ų60.211%0.10532%0.32CS..Hα-helixtrans-66-41.4175.7-178.265.8000110.7V64 Y69 I70 S75 Q76 Q155 V156V64-L72 HydrophobicContact CG1-CD2 4.34Å; Y69-L72 PolarHBondContact O-N 3.33Å; I70-L72 VanDerWaalsContact C-N 3.31Å; I70-L72 PolarHBondContact O-N 2.87Å; L72-S75 PolarHBondContact O-OG 3.29Å; L72-Q76 WeakPolarHBondContact O-CG 3.33Å; L72-Q76 PolarHBondContact O-N 3.38Å; L72-Q155 HydrophobicContact CD1-CG 4.26Å; L72-V156 HydrophobicContact CD2-CG2 4.13Å
73L85.5Confident87.4Confident4 Ų460.9 Ų60.92%0.02132%0.324CS..Hα-helixtrans-67.8-45.1178.4-161.572.4000111.1L59 V64 F65 Y69 I70 S75 Q76 F77 Y145L59-L73 HydrophobicContact CB-CD2 3.8Å; L59-L73 HydrophobicContact CD2-CD1 4.19Å; L59-L73 HydrophobicContact CD2-CD2 3.73Å; L59-L73 HydrophobicContact CD2-CG 3.88Å; L59-L73 HydrophobicContact CG-CD2 4.23Å; V64-L73 HydrophobicContact CB-CD1 4.48Å; V64-L73 HydrophobicContact CG1-CB 4.44Å; V64-L73 HydrophobicContact CG1-CD1 4.46Å; F65-L73 HydrophobicContact CB-CD2 4.08Å; F65-L73 HydrophobicContact CD2-CD2 4.04Å; Y69-L73 PolarHBondContact O-N 2.9Å; I70-L73 PolarHBondContact O-N 2.92Å; I70-L73 VanDerWaalsContact O-N 3.15Å; L73-S75 VanDerWaalsContact C-N 3.33Å; L73-S75 PolarHBondContact O-N 3.48Å; L73-Q76 PolarHBondContact O-N 3.01Å; L73-F77 HydrophobicContact CD1-CD2 3.92Å; L73-F77 HydrophobicContact CD1-CE2 3.61Å; L73-F77 HydrophobicContact CG-CD2 4.01Å; L73-F77 HydrophobicContact CG-CE2 4.23Å; L73-F77 VanDerWaalsContact O-CD2 3.29Å; L73-F77 WeakPolarHBondContact O-CD2 3.37Å; L73-F77 PolarHBondContact O-N 2.99Å; L73-Y145 HydrophobicContact CD1-CD1 4.38Å; L73-Y145 HydrophobicContact CD1-CE1 4.34Å
74L86.2Confident87.9Confident78 Ų7857.9 Ų57.941%0.40831%0.311SS..Hα-helixtrans-63-37.7177.2-72.4178.2000112.1I70 Q76 F77 K78 I81I70-L74 HydrophobicContact CG2-CD1 3.85Å; I70-L74 HydrophobicContact CG2-CG 4.04Å; I70-L74 WeakPolarHBondContact O-CB 3.44Å; I70-L74 WeakPolarHBondContact O-CG 3.17Å; I70-L74 PolarHBondContact O-N 3.25Å; L74-Q76 VanDerWaalsContact C-N 3.35Å; L74-F77 PolarHBondContact O-N 3.08Å; L74-K78 VanDerWaalsContact O-CA 3.28Å; L74-K78 WeakPolarHBondContact O-CA 3.34Å; L74-K78 VanDerWaalsContact O-CB 3.27Å; L74-K78 WeakPolarHBondContact O-CB 3.41Å; L74-K78 PolarHBondContact O-N 3.48Å; L74-I81 HydrophobicContact CD2-CD1 3.58Å
75S86.6Confident88.5Confident78 Ų7862.1 Ų62.155%0.54533%0.333SS..Hα-helixtrans-67.7-35.817770.10000112.1N71 L72 L73N71-S75 WeakPolarHBondContact O-CB 3.34Å; N71-S75 PolarHBondContact O-N 3.4Å; N71-S75 PolarHBondContact O-OG 2.96Å; L72-S75 PolarHBondContact O-OG 3.29Å; L73-S75 VanDerWaalsContact C-N 3.33Å; L73-S75 PolarHBondContact O-N 3.48Å
76Q86.7Confident89.1Confident41 Ų4161 Ų6119%0.19233%0.333CS..Hα-helixtrans-72.1-33.3177.2-72.2-175.312.400113.9L72 L73 L74 Y145L72-Q76 WeakPolarHBondContact O-CG 3.33Å; L72-Q76 PolarHBondContact O-N 3.38Å; L73-Q76 PolarHBondContact O-N 3.01Å; L74-Q76 VanDerWaalsContact C-N 3.35Å; Q76-Y145 PolarHBondContact OE1-OH 2.9Å
77F89.7Confident89.7Confident2 Ų254.4 Ų54.41%0.00930%0.302CS..Hα-helixtrans-109.410.1-176.4-64.1-73.9000114.2F55 L59 L73 L74 D79 V80 I81 T136 R139 L140 Y145F55-F77 HydrophobicContact CZ-CB 4.04Å; F55-F77 HydrophobicContact CZ-CD1 4.37Å; F55-F77 HydrophobicContact CZ-CG 4.26Å; L59-F77 HydrophobicContact CD2-CD2 3.62Å; L59-F77 HydrophobicContact CD2-CE2 3.86Å; L59-F77 HydrophobicContact CD2-CG 4.14Å; L73-F77 HydrophobicContact CD1-CD2 3.92Å; L73-F77 HydrophobicContact CD1-CE2 3.61Å; L73-F77 HydrophobicContact CG-CD2 4.01Å; L73-F77 HydrophobicContact CG-CE2 4.23Å; L73-F77 VanDerWaalsContact O-CD2 3.29Å; L73-F77 WeakPolarHBondContact O-CD2 3.37Å; L73-F77 PolarHBondContact O-N 2.99Å; L74-F77 PolarHBondContact O-N 3.08Å; F77-D79 VanDerWaalsContact C-N 3.29Å; F77-D79 PolarHBondContact O-N 3.49Å; F77-V80 PolarHBondContact O-N 2.87Å; F77-V80 VanDerWaalsContact O-N 3.12Å; F77-I81 PolarHBondContact O-N 3.28Å; F77-T136 HydrophobicContact CD1-CG2 3.64Å; F77-T136 HydrophobicContact CE1-CG2 3.8Å; F77-R139 HydrophobicContact CE1-CB 4.09Å; F77-R139 HydrophobicContact CZ-CB 4.44Å; F77-L140 HydrophobicContact CE2-CD1 4.34Å; F77-L140 HydrophobicContact CZ-CD1 4.04Å; F77-Y145 HydrophobicContact CE2-CE1 4.24Å; F77-Y145 HydrophobicContact CZ-CE1 4.43Å; F77-Y145 HydrophobicContact CZ-CE2 4.48Å
78K90.6Very high90.1Very high137 Ų13753.5 Ų53.560%0.59629%0.291SS*.Hα-helixtrans-52.2-45.6-177.1-172.3178.8176.6-177.20112.8L74 V80 I81 L82L74-K78 VanDerWaalsContact O-CA 3.28Å; L74-K78 WeakPolarHBondContact O-CA 3.34Å; L74-K78 VanDerWaalsContact O-CB 3.27Å; L74-K78 WeakPolarHBondContact O-CB 3.41Å; L74-K78 PolarHBondContact O-N 3.48Å; K78-V80 PolarHBondContact O-N 3.35Å; K78-I81 PolarHBondContact O-N 3Å; K78-L82 WeakPolarHBondContact O-CB 3.35Å; K78-L82 PolarHBondContact O-N 3.35Å
79D92Very high90.7Very high87 Ų8755.3 Ų55.347%0.46529%0.292SS..Hα-helixtrans-57.5-41.3-176.8-61-24.8000111.4F77 L82 V83 F132F77-D79 VanDerWaalsContact C-N 3.29Å; F77-D79 PolarHBondContact O-N 3.49Å; D79-L82 PolarHBondContact O-N 3.02Å; D79-V83 WeakPolarHBondContact O-CB 3.49Å; D79-V83 WeakPolarHBondContact O-CG2 3.37Å; D79-V83 PolarHBondContact O-N 3.02Å; D79-F132 HydrophobicContact CB-CD1 4.17Å; D79-F132 HydrophobicContact CB-CE1 3.96Å
80V92.9Very high91.3Very high6 Ų652.9 Ų52.94%0.03629%0.285CS..Hα-helixtrans-78.7-37.5-173.8176.50000110.9F77 K78 L82 T84 F132 T136F77-V80 PolarHBondContact O-N 2.87Å; F77-V80 VanDerWaalsContact O-N 3.12Å; K78-V80 PolarHBondContact O-N 3.35Å; V80-L82 VanDerWaalsContact C-N 3.34Å; V80-T84 VanDerWaalsContact O-CB 3.23Å; V80-T84 WeakPolarHBondContact O-CB 3.28Å; V80-T84 PolarHBondContact O-N 3.02Å; V80-T84 PolarHBondContact O-OG1 3.02Å; V80-F132 HydrophobicContact CG2-CB 3.84Å; V80-F132 HydrophobicContact CG2-CD1 4.1Å; V80-F132 HydrophobicContact CG2-CG 4.43Å; V80-T136 HydrophobicContact CG1-CG2 4.23Å; V80-T136 WeakPolarHBondContact CG2-OG1 3.43Å
81I92.6Very high91.8Very high51 Ų5149.7 Ų49.726%0.26227%0.268SS..Hα-helixtrans-59-49.6171.4-65.3169000109.3F55 L74 F77 K78 T84 L85F55-I81 HydrophobicContact CE1-CG1 3.87Å; L74-I81 HydrophobicContact CD2-CD1 3.58Å; F77-I81 PolarHBondContact O-N 3.28Å; K78-I81 PolarHBondContact O-N 3Å; I81-T84 PolarHBondContact O-N 3.4Å; I81-L85 HydrophobicContact CG2-CD1 3.92Å; I81-L85 HydrophobicContact CG2-CG 4.48Å; I81-L85 WeakPolarHBondContact O-CB 3.4Å; I81-L85 VanDerWaalsContact O-CG 3.3Å; I81-L85 WeakPolarHBondContact O-CG 3.37Å; I81-L85 PolarHBondContact O-N 2.95Å
82L94.7Very high92.3Very high98 Ų9846.6 Ų46.651%0.51325%0.251SS..Hα-helixtrans-62-49.6179.9-175.866.8000111.6K78 D79 V80 T84 L85 C86K78-L82 WeakPolarHBondContact O-CB 3.35Å; K78-L82 PolarHBondContact O-N 3.35Å; D79-L82 PolarHBondContact O-N 3.02Å; V80-L82 VanDerWaalsContact C-N 3.34Å; L82-T84 VanDerWaalsContact C-N 3.32Å; L82-T84 PolarHBondContact O-N 3.39Å; L82-L85 PolarHBondContact O-N 2.87Å; L82-C86 WeakPolarHBondContact O-CB 3.12Å; L82-C86 PolarHBondContact O-N 3.02Å; L82-C86 PolarHBondContact O-SG 3.42Å; L82-C86 VanDerWaalsContact O-SG 3.33Å
83V95.2Very high92.9Very high13 Ų1348 Ų488%0.07926%0.263CS..Hα-helixtrans-60.4-43.1179.8169.10000111D79 Y87 W125 L128 Y129 F132D79-V83 WeakPolarHBondContact O-CB 3.49Å; D79-V83 WeakPolarHBondContact O-CG2 3.37Å; D79-V83 PolarHBondContact O-N 3.02Å; V83-Y87 VanDerWaalsContact O-CB 3.26Å; V83-Y87 WeakPolarHBondContact O-CB 3.4Å; V83-Y87 PolarHBondContact O-N 3.37Å; V83-W125 PolarHBondContact O-NE1 3.45Å; V83-L128 HydrophobicContact CG1-CB 4.32Å; V83-Y129 VanDerWaalsContact CG1-CA 3.49Å; V83-F132 HydrophobicContact CG2-CD2 4.03Å; V83-F132 HydrophobicContact CG2-CE2 4.39Å; V83-F132 HydrophobicContact CG2-CG 4.43Å
84T94.4Very high93.2Very high6 Ų648 Ų484%0.03726%0.263CS..Hα-helixtrans-65.1-44.4178.9-55.80000111.7V80 I81 L82 Y87 L88 Y129V80-T84 VanDerWaalsContact O-CB 3.23Å; V80-T84 WeakPolarHBondContact O-CB 3.28Å; V80-T84 PolarHBondContact O-N 3.02Å; V80-T84 PolarHBondContact O-OG1 3.02Å; I81-T84 PolarHBondContact O-N 3.4Å; L82-T84 VanDerWaalsContact C-N 3.32Å; L82-T84 PolarHBondContact O-N 3.39Å; T84-Y87 PolarHBondContact O-N 2.85Å; T84-L88 WeakPolarHBondContact O-CB 3.45Å; T84-L88 PolarHBondContact O-N 3.21Å; T84-Y129 HydrophobicContact CG2-CE2 3.89Å
85L94.9Very high93.6Very high93 Ų9344.6 Ų44.649%0.48725%0.245SC..Hα-helixtrans-64.2-47.4177.6-73.1174.2000111.7I81 L82 Y87 L88 V89I81-L85 HydrophobicContact CG2-CD1 3.92Å; I81-L85 HydrophobicContact CG2-CG 4.48Å; I81-L85 WeakPolarHBondContact O-CB 3.4Å; I81-L85 VanDerWaalsContact O-CG 3.3Å; I81-L85 WeakPolarHBondContact O-CG 3.37Å; I81-L85 PolarHBondContact O-N 2.95Å; L82-L85 PolarHBondContact O-N 2.87Å; L85-Y87 VanDerWaalsContact C-N 3.28Å; L85-Y87 PolarHBondContact O-N 3.46Å; L85-L88 PolarHBondContact O-N 3.29Å; L85-V89 WeakPolarHBondContact O-CG2 3.42Å; L85-V89 PolarHBondContact O-N 2.81Å
86C96.2Very high93.8Very high43 Ų4344.2 Ų44.229%0.29124%0.241SC..Hα-helixtrans-59.7-41.1175.3-71.60000111.3L82 V89 L90 W125L82-C86 WeakPolarHBondContact O-CB 3.12Å; L82-C86 PolarHBondContact O-N 3.02Å; L82-C86 PolarHBondContact O-SG 3.42Å; L82-C86 VanDerWaalsContact O-SG 3.33Å; C86-V89 PolarHBondContact O-N 2.89Å; C86-L90 WeakPolarHBondContact O-CB 3.46Å; C86-L90 VanDerWaalsContact O-CG 3.27Å; C86-L90 WeakPolarHBondContact O-CG 3.29Å; C86-L90 PolarHBondContact O-N 3.41Å; C86-W125 HydrophobicContact CB-CZ2 3.81Å; C86-W125 VanDerWaalsContact CB-NE1 3.27Å
87Y96.4Very high94Very high0 Ų048.1 Ų48.10%025%0.254CS..Hα-helixtrans-64.1-44.7178.7-172.5-125.2000112.5D20 N24 I48 V83 T84 L85 L90 S91 Q122 W125 S126 Y129D20-Y87 WeakPolarHBondContact OD2-CE1 3.34Å; D20-Y87 PolarHBondContact OD2-OH 2.92Å; N24-Y87 PolarHBondContact ND2-OH 3.45Å; I48-Y87 HydrophobicContact CD1-CD1 3.88Å; I48-Y87 HydrophobicContact CD1-CE1 3.46Å; I48-Y87 VanDerWaalsContact CD1-CE1 3.46Å; I48-Y87 HydrophobicContact CG1-CD1 4.34Å; I48-Y87 HydrophobicContact CG1-CE1 4.02Å; I48-Y87 HydrophobicContact CG2-CD1 4.38Å; V83-Y87 VanDerWaalsContact O-CB 3.26Å; V83-Y87 WeakPolarHBondContact O-CB 3.4Å; V83-Y87 PolarHBondContact O-N 3.37Å; T84-Y87 PolarHBondContact O-N 2.85Å; L85-Y87 VanDerWaalsContact C-N 3.28Å; L85-Y87 PolarHBondContact O-N 3.46Å; Y87-L90 PolarHBondContact O-N 3.26Å; Y87-S91 WeakPolarHBondContact O-CB 3.21Å; Y87-S91 PolarHBondContact O-N 3.46Å; Y87-S91 PolarHBondContact O-OG 2.91Å; Y87-Q122 HydrophobicContact CE2-CG 4.16Å; Y87-Q122 VanDerWaalsContact CE2-NE2 3.29Å; Y87-Q122 PolarHBondContact OH-NE2 2.99Å; Y87-W125 HydrophobicContact CD2-CB 4.29Å; Y87-S126 VanDerWaalsContact CE2-CB 3.44Å; Y87-Y129 AromaticContact CD1-CD1 3.49Å; Y87-Y129 HydrophobicContact CD1-CD1 3.49Å; Y87-Y129 VanDerWaalsContact CD1-CD1 3.49Å; Y87-Y129 HydrophobicContact CD1-CD2 4.07Å; Y87-Y129 AromaticContact CD1-CE1 3.89Å; Y87-Y129 HydrophobicContact CD1-CE1 3.89Å; Y87-Y129 HydrophobicContact CD1-CE2 4.43Å; Y87-Y129 AromaticContact CD1-CG 3.58Å; Y87-Y129 HydrophobicContact CD1-CG 3.58Å; Y87-Y129 AromaticContact CE1-CD1 3.6Å; Y87-Y129 HydrophobicContact CE1-CD1 3.6Å; Y87-Y129 AromaticContact CE1-CE1 3.92Å; Y87-Y129 HydrophobicContact CE1-CE1 3.92Å; Y87-Y129 HydrophobicContact CE1-CG 4.15Å; Y87-Y129 HydrophobicContact CG-CD1 4.29Å; Y87-Y129 HydrophobicContact CG-CD2 4.48Å; Y87-Y129 AromaticContact CG-CG 3.99Å; Y87-Y129 HydrophobicContact CG-CG 3.99Å
88L95.4Very high93.9Very high25 Ų2548 Ų4813%0.13125%0.254CS..Hα-helixtrans-61.7-46.9177.1-179.267.4000111.2I48 L49 T84 L85 L90 S91 I92I48-L88 HydrophobicContact CB-CD1 4.14Å; I48-L88 HydrophobicContact CG2-CB 4.14Å; I48-L88 HydrophobicContact CG2-CD1 3.83Å; L49-L88 HydrophobicContact CD2-CD1 4.21Å; L49-L88 HydrophobicContact CD2-CD2 3.63Å; L49-L88 HydrophobicContact CG-CD1 4.12Å; L49-L88 HydrophobicContact CG-CD2 4.44Å; T84-L88 WeakPolarHBondContact O-CB 3.45Å; T84-L88 PolarHBondContact O-N 3.21Å; L85-L88 PolarHBondContact O-N 3.29Å; L88-L90 PolarHBondContact O-N 3.47Å; L88-S91 PolarHBondContact O-N 3.35Å; L88-I92 HydrophobicContact CD1-CD1 3.87Å; L88-I92 HydrophobicContact CD1-CG1 4.28Å; L88-I92 HydrophobicContact CG-CD1 3.85Å; L88-I92 WeakPolarHBondContact O-CG1 3.29Å; L88-I92 PolarHBondContact O-N 3.4Å
89V96.8Very high93.8Very high90 Ų9043.7 Ų43.755%0.54524%0.239SC..Hα-helixtrans-61.5-44.4178.1171.20000111.3L85 C86 S93L85-V89 WeakPolarHBondContact O-CG2 3.42Å; L85-V89 PolarHBondContact O-N 2.81Å; C86-V89 PolarHBondContact O-N 2.89Å; V89-S93 VanDerWaalsContact O-CB 3.26Å; V89-S93 WeakPolarHBondContact O-CB 3.44Å; V89-S93 PolarHBondContact O-N 2.94Å; V89-S93 PolarHBondContact O-OG 3.37Å
90L96.3Very high93.5Very high36 Ų3645 Ų4519%0.18825%0.245CC..Hα-helixtrans-63.1-42.5177.1-75170.5000111.8C86 Y87 L88 S93 L94 L118 Q122 W125C86-L90 WeakPolarHBondContact O-CB 3.46Å; C86-L90 VanDerWaalsContact O-CG 3.27Å; C86-L90 WeakPolarHBondContact O-CG 3.29Å; C86-L90 PolarHBondContact O-N 3.41Å; Y87-L90 PolarHBondContact O-N 3.26Å; L88-L90 PolarHBondContact O-N 3.47Å; L90-S93 PolarHBondContact O-N 2.95Å; L90-L94 WeakPolarHBondContact O-CB 3.41Å; L90-L94 PolarHBondContact O-N 3.49Å; L90-L118 HydrophobicContact CD2-CD1 3.73Å; L90-Q122 HydrophobicContact CB-CB 4.23Å; L90-Q122 HydrophobicContact CB-CG 4.09Å; L90-W125 HydrophobicContact CD1-CB 3.75Å; L90-W125 HydrophobicContact CD1-CD2 4.15Å; L90-W125 HydrophobicContact CD1-CG 3.74Å
91S96Very high93Very high0 Ų048 Ų480%026%0.255CS..Hα-helixtrans-65.4-51.1-179.9-57.70000111.1Y87 L88 S93 L94 H95 Q122Y87-S91 WeakPolarHBondContact O-CB 3.21Å; Y87-S91 PolarHBondContact O-N 3.46Å; Y87-S91 PolarHBondContact O-OG 2.91Å; L88-S91 PolarHBondContact O-N 3.35Å; S91-S93 VanDerWaalsContact C-N 3.31Å; S91-S93 PolarHBondContact O-N 3.2Å; S91-L94 WeakPolarHBondContact O-CB 3.34Å; S91-L94 PolarHBondContact O-N 2.87Å; S91-L94 VanDerWaalsContact O-N 3.15Å; S91-H95 WeakPolarHBondContact O-CB 3.36Å; S91-H95 PolarHBondContact O-CD2 3.38Å; S91-H95 PolarHBondContact O-N 3.42Å; S91-H95 PolarHBondContact O-ND1 3.08Å; S91-Q122 PolarHBondContact OG-NE2 3.35Å
92I95.6Very high92.4Very high70 Ų7046.6 Ų46.636%0.35925%0.247SC..Hα-helixtrans-58.7-43.6175.8-66.2170000111L88 L94 H95 C96L88-I92 HydrophobicContact CD1-CD1 3.87Å; L88-I92 HydrophobicContact CD1-CG1 4.28Å; L88-I92 HydrophobicContact CG-CD1 3.85Å; L88-I92 WeakPolarHBondContact O-CG1 3.29Å; L88-I92 PolarHBondContact O-N 3.4Å; I92-L94 VanDerWaalsContact C-N 3.33Å; I92-L94 PolarHBondContact O-N 2.69Å; I92-H95 PolarHBondContact O-N 2.99Å; I92-C96 VanDerWaalsContact O-CB 3.31Å; I92-C96 WeakPolarHBondContact O-CB 3.13Å; I92-C96 PolarHBondContact O-N 3.19Å; I92-C96 PolarHBondContact O-SG 3.45Å; I92-C96 VanDerWaalsContact O-SG 3.37Å
93S95.4Very high91.6Very high51 Ų5152 Ų5236%0.35726%0.261SS..Hα-helixtrans-61.3-43.2178.8-59.60000111.5V89 L90 S91 W97V89-S93 VanDerWaalsContact O-CB 3.26Å; V89-S93 WeakPolarHBondContact O-CB 3.44Å; V89-S93 PolarHBondContact O-N 2.94Å; V89-S93 PolarHBondContact O-OG 3.37Å; L90-S93 PolarHBondContact O-N 2.95Å; S91-S93 VanDerWaalsContact C-N 3.31Å; S91-S93 PolarHBondContact O-N 3.2Å; S93-W97 WeakPolarHBondContact O-CB 3.46Å; S93-W97 PolarHBondContact O-N 3.42Å
94L93.5Very high90.7Very high3 Ų357.1 Ų57.12%0.01629%0.288CS..Hα-helixtrans-65-45.3177.3-177.668.7000111.2L90 S91 I92 G98 Y115 L118 F119 Q122L90-L94 WeakPolarHBondContact O-CB 3.41Å; L90-L94 PolarHBondContact O-N 3.49Å; S91-L94 WeakPolarHBondContact O-CB 3.34Å; S91-L94 PolarHBondContact O-N 2.87Å; S91-L94 VanDerWaalsContact O-N 3.15Å; I92-L94 VanDerWaalsContact C-N 3.33Å; I92-L94 PolarHBondContact O-N 2.69Å; L94-G98 PolarHBondContact O-N 2.9Å; L94-Y115 HydrophobicContact CD1-CD2 4.05Å; L94-Y115 HydrophobicContact CD1-CE1 4.33Å; L94-Y115 HydrophobicContact CD1-CE2 3.49Å; L94-Y115 VanDerWaalsContact CD1-CE2 3.49Å; L94-Y115 HydrophobicContact CG-CE2 4.37Å; L94-L118 HydrophobicContact CB-CD2 4.21Å; L94-L118 HydrophobicContact CB-CG 4.28Å; L94-L118 HydrophobicContact CD1-CB 4.5Å; L94-L118 HydrophobicContact CD1-CD2 4.29Å; L94-L118 HydrophobicContact CD1-CG 4.14Å; L94-F119 HydrophobicContact CD1-CB 3.96Å; L94-F119 HydrophobicContact CD1-CD2 4.34Å; L94-F119 HydrophobicContact CD2-CD2 4.06Å; L94-Q122 HydrophobicContact CD2-CB 4.11Å; L94-Q122 HydrophobicContact CD2-CG 4.07Å
95H93.1Very high89.6Confident7 Ų760.8 Ų60.83%0.03231%0.307CS..Hα-helixtrans-65.5-45.7-179.4-62.3165.3000111.9Y41 D45 S91 I92 T99Y41-H95 AromaticContact CD1-CD2 3.4Å; Y41-H95 WeakPolarHBondContact CD1-CD2 3.25Å; Y41-H95 AromaticContact CD1-NE2 3.47Å; Y41-H95 WeakPolarHBondContact CD1-NE2 3.26Å; Y41-H95 HydrophobicContact CD2-CB 3.96Å; Y41-H95 AromaticContact CD2-CD2 3.79Å; Y41-H95 AromaticContact CD2-CG 3.95Å; Y41-H95 AromaticContact CE1-CD2 3.77Å; Y41-H95 AromaticContact CE1-NE2 3.96Å; Y41-H95 HydrophobicContact CG-CB 4.08Å; Y41-H95 AromaticContact CG-CD2 3.41Å; Y41-H95 VanDerWaalsContact CG-CD2 3.41Å; Y41-H95 AromaticContact CG-CG 3.62Å; Y41-H95 AromaticContact CG-NE2 3.86Å; D45-H95 IonicContact OD1-CE1 3.21Å; D45-H95 PolarHBondContact OD1-CE1 3.24Å; D45-H95 IonicContact OD1-ND1 3.02Å; D45-H95 PolarHBondContact OD1-ND1 2.86Å; D45-H95 IonicContact OD2-CE1 3.76Å; D45-H95 IonicContact OD2-CG 3.86Å; D45-H95 IonicContact OD2-ND1 2.85Å; D45-H95 PolarHBondContact OD2-ND1 3.35Å; S91-H95 WeakPolarHBondContact O-CB 3.36Å; S91-H95 PolarHBondContact O-CD2 3.38Å; S91-H95 PolarHBondContact O-N 3.42Å; S91-H95 PolarHBondContact O-ND1 3.08Å; I92-H95 PolarHBondContact O-N 2.99Å; H95-T99 VanDerWaalsContact O-CB 3.26Å; H95-T99 WeakPolarHBondContact O-CB 3.27Å; H95-T99 PolarHBondContact O-N 3.34Å; H95-T99 PolarHBondContact O-OG1 3.49Å
96C92.3Very high88.3Confident70 Ų7058.9 Ų58.947%0.47330%0.302SS..Hα-helixtrans-61.4-49.5176-74.80000111I92 T99 I100I92-C96 VanDerWaalsContact O-CB 3.31Å; I92-C96 WeakPolarHBondContact O-CB 3.13Å; I92-C96 PolarHBondContact O-N 3.19Å; I92-C96 PolarHBondContact O-SG 3.45Å; I92-C96 VanDerWaalsContact O-SG 3.37Å; C96-T99 PolarHBondContact O-N 3.35Å; C96-I100 WeakPolarHBondContact O-CB 3.39Å; C96-I100 WeakPolarHBondContact O-CD1 3.3Å; C96-I100 WeakPolarHBondContact O-CG1 3.38Å; C96-I100 PolarHBondContact O-N 3.35Å
97W91.1Very high86.8Confident122 Ų12264.6 Ų64.646%0.46233%0.329SS..Hα-helixtrans-61.8-48.5179.1-164.1-47.6000111.2S93 T99 I100 W101 Y115S93-W97 WeakPolarHBondContact O-CB 3.46Å; S93-W97 PolarHBondContact O-N 3.42Å; W97-T99 VanDerWaalsContact C-N 3.32Å; W97-T99 PolarHBondContact O-N 2.93Å; W97-I100 PolarHBondContact O-N 2.93Å; W97-W101 PolarHBondContact O-N 3.33Å; W97-Y115 HydrophobicContact CB-CD2 4.24Å; W97-Y115 AromaticContact CD1-CD2 3.81Å; W97-Y115 HydrophobicContact CG-CD2 4.04Å
98G87Confident85.2Confident0 Ų070.7 Ų70.70%036%0.356CS..Hα-helixtrans-59.3-43.2179.900000112.1L94 R102L94-G98 PolarHBondContact O-N 2.9Å; G98-R102 WeakPolarHBondContact O-CB 3.42Å; G98-R102 WeakPolarHBondContact O-CG 3.26Å; G98-R102 PolarHBondContact O-N 3.41Å; G98-R102 VanDerWaalsContact O-N 3.12Å
99T87.1Confident83.8Confident47 Ų4775.4 Ų75.429%0.28838%0.379SS..Hα-helixtrans-68.7-43.7179.4-56.40000112H95 C96 W97 W101 R102 W103H95-T99 VanDerWaalsContact O-CB 3.26Å; H95-T99 WeakPolarHBondContact O-CB 3.27Å; H95-T99 PolarHBondContact O-N 3.34Å; H95-T99 PolarHBondContact O-OG1 3.49Å; C96-T99 PolarHBondContact O-N 3.35Å; W97-T99 VanDerWaalsContact C-N 3.32Å; W97-T99 PolarHBondContact O-N 2.93Å; T99-W101 VanDerWaalsContact C-N 3.31Å; T99-W101 PolarHBondContact O-N 2.95Å; T99-R102 PolarHBondContact O-N 3.46Å; T99-W103 WeakPolarHBondContact O-CB 3.24Å; T99-W103 PolarHBondContact O-N 3Å
100I87.1Confident82.4Confident115 Ų11571.5 Ų71.559%0.5936%0.355SS*.Hα-helixtrans-59.8-43.2177.6-71.2165.3000110.9C96 W97C96-I100 WeakPolarHBondContact O-CB 3.39Å; C96-I100 WeakPolarHBondContact O-CD1 3.3Å; C96-I100 WeakPolarHBondContact O-CG1 3.38Å; C96-I100 PolarHBondContact O-N 3.35Å; W97-I100 PolarHBondContact O-N 2.93Å
101W82.1Confident81.3Confident67 Ų6773.9 Ų73.925%0.25438%0.375SS..Hα-helixtrans-67.2-43.6-178.1-149.775.3000111.7W97 T99 W103 N104 D105 K108 M109 P110W97-W101 PolarHBondContact O-N 3.33Å; T99-W101 VanDerWaalsContact C-N 3.31Å; T99-W101 PolarHBondContact O-N 2.95Å; W101-W103 VanDerWaalsContact C-N 3.35Å; W101-W103 PolarHBondContact O-N 2.88Å; W101-N104 PolarHBondContact O-N 2.95Å; W101-D105 PolarHBondContact O-N 3.41Å; W101-D105 VanDerWaalsContact O-N 3.16Å; W101-K108 HydrophobicContact CH2-CB 4.02Å; W101-K108 HydrophobicContact CZ3-CB 3.74Å; W101-K108 VanDerWaalsContact CZ3-O 3.31Å; W101-K108 WeakPolarHBondContact CZ3-O 3.15Å; W101-M109 VanDerWaalsContact CZ3-C 3.44Å; W101-M109 WeakPolarHBondContact CZ3-O 3.26Å; W101-P110 HydrophobicContact CD2-CB 3.86Å; W101-P110 HydrophobicContact CE3-CB 3.65Å; W101-P110 HydrophobicContact CE3-CG 4.38Å; W101-P110 HydrophobicContact CG-CB 4.32Å; W101-P110 HydrophobicContact CZ3-CB 4.09Å; W101-P110 VanDerWaalsContact CZ3-N 3.35Å
102R80.4Confident80.8Confident22 Ų2276.1 Ų76.18%0.08339%0.39CS..Hα-helixtrans-73.5-25.2-178.2-68.6179.6118.8-110.7-8114.1S31 N34 G98 T99 N104 D105S31-R102 VanDerWaalsContact C-NH2 3.3Å; S31-R102 PolarHBondContact O-NH1 3.23Å; S31-R102 PolarHBondContact O-NH2 3.38Å; N34-R102 PolarHBondContact ND2-O 2.79Å; N34-R102 PolarHBondContact OD1-NH1 2.98Å; G98-R102 WeakPolarHBondContact O-CB 3.42Å; G98-R102 WeakPolarHBondContact O-CG 3.26Å; G98-R102 PolarHBondContact O-N 3.41Å; G98-R102 VanDerWaalsContact O-N 3.12Å; T99-R102 PolarHBondContact O-N 3.46Å; R102-N104 PolarHBondContact O-N 3.12Å; R102-D105 CarbonylContact O-C 3.42Å
103W78.1Confident80.5Confident211 Ų21177.3 Ų77.380%0.79940%0.401SS*.Hα-helixtrans-62.2-33.2171.6-170.4-89.7000111.6T99 W101T99-W103 WeakPolarHBondContact O-CB 3.24Å; T99-W103 PolarHBondContact O-N 3Å; W101-W103 VanDerWaalsContact C-N 3.35Å; W101-W103 PolarHBondContact O-N 2.88Å
104N76.1Confident80.3Confident122 Ų12276.4 Ų76.465%0.65240%0.4SS*.Hα-helixtrans-84.6-40178.7-65.9-28.3000112.7W101 R102W101-N104 PolarHBondContact O-N 2.95Å; R102-N104 PolarHBondContact O-N 3.12Å
105D71.6Confident80.1Confident82 Ų8277.1 Ų77.144%0.43940%0.402SS..  trans-134.6101.9180-84.2-39.1000110.5W101 R102 D107W101-D105 PolarHBondContact O-N 3.41Å; W101-D105 VanDerWaalsContact O-N 3.16Å; R102-D105 CarbonylContact O-C 3.42Å; D105-D107 PolarHBondContact O-N 3.26Å
106S65.7Low80Confident54 Ų5482 Ų8238%0.37843%0.425SS..SBendtrans-69.6-29.9-174.5-167.80000114N34N34-S106 PolarHBondContact ND2-OG 2.75Å
107D65.1Low80.1Confident162 Ų16284 Ų8487%0.86643%0.429SS*.SBendtrans-94.4-12.7-168.4-69.8-26000114.1D105D105-D107 PolarHBondContact O-N 3.26Å
108K63.1Low80.2Confident129 Ų12979.6 Ų79.656%0.56141%0.414SS*.SBendtrans-99.8133.2-176.8-67.8180-174.7166.70110.3W101W101-K108 HydrophobicContact CH2-CB 4.02Å; W101-K108 HydrophobicContact CZ3-CB 3.74Å; W101-K108 VanDerWaalsContact CZ3-O 3.31Å; W101-K108 WeakPolarHBondContact CZ3-O 3.15Å
109M66.3Low80.5Confident123 Ų12382.8 Ų82.861%0.60643%0.428SS*.  trans-68.8134.5164.2-173.7159.7171.500108.6W101 S111W101-M109 VanDerWaalsContact CZ3-C 3.44Å; W101-M109 WeakPolarHBondContact CZ3-O 3.26Å; M109-S111 PolarHBondContact O-N 2.83Å
110P67.8Low80.8Confident8 Ų883 Ų835%0.05244%0.435CS..  trans-55.4100.8176.619.4-32000111.4W101 S112 Y115W101-P110 HydrophobicContact CD2-CB 3.86Å; W101-P110 HydrophobicContact CE3-CB 3.65Å; W101-P110 HydrophobicContact CE3-CG 4.38Å; W101-P110 HydrophobicContact CG-CB 4.32Å; W101-P110 HydrophobicContact CZ3-CB 4.09Å; W101-P110 VanDerWaalsContact CZ3-N 3.35Å; P110-S112 PolarHBondContact O-N 3.14Å; P110-Y115 HydrophobicContact CB-CD1 3.64Å; P110-Y115 HydrophobicContact CB-CD2 4.28Å; P110-Y115 HydrophobicContact CB-CE1 4Å; P110-Y115 HydrophobicContact CB-CG 3.81Å; P110-Y115 HydrophobicContact CG-CD1 3.48Å; P110-Y115 VanDerWaalsContact CG-CD1 3.48Å; P110-Y115 HydrophobicContact CG-CD2 4.32Å; P110-Y115 HydrophobicContact CG-CE1 3.28Å; P110-Y115 HydrophobicContact CG-CE2 4.13Å; P110-Y115 HydrophobicContact CG-CG 4.01Å
111S72.6Confident81.2Confident87 Ų8783.5 Ų83.561%0.60843%0.433SS*.  trans-87.78-178.873.30000112.8M109 V113M109-S111 PolarHBondContact O-N 2.83Å; S111-V113 PolarHBondContact O-N 2.97Å
112S86.1Confident81.8Confident46 Ų4680.3 Ų80.332%0.32242%0.421SS..  trans-68.2128.1176.6178.30000109.9P110 G114 Y115 Q116P110-S112 PolarHBondContact O-N 3.14Å; S112-G114 PolarHBondContact O-N 3.07Å; S112-G114 PolarHBondContact OG-N 3.47Å; S112-Y115 PolarHBondContact O-N 3.2Å; S112-Q116 PolarHBondContact O-N 2.76Å; S112-Q116 VanDerWaalsContact O-N 3.08Å
113V89.3Confident82.5Confident95 Ų9581.9 Ų81.958%0.57643%0.427SS*.Hα-helixtrans-53.6-39.6176.3179.60000111S111 Y115 Q116 M117S111-V113 PolarHBondContact O-N 2.97Å; V113-Y115 PolarHBondContact O-N 2.86Å; V113-Q116 PolarHBondContact O-N 2.84Å; V113-M117 HydrophobicContact CG1-CE 3.83Å; V113-M117 HydrophobicContact CG1-CG 4.48Å; V113-M117 HydrophobicContact CG1-SD 4.31Å; V113-M117 WeakPolarHBondContact O-CG 3.49Å; V113-M117 PolarHBondContact O-N 2.89Å
114G91Very high83.2Confident33 Ų3376 Ų7634%0.3441%0.414SS..Hα-helixtrans-63.4-39.8178.100000113.3S112 M117 L118S112-G114 PolarHBondContact O-N 3.07Å; S112-G114 PolarHBondContact OG-N 3.47Å; G114-M117 PolarHBondContact O-N 2.89Å; G114-L118 WeakPolarHBondContact O-CB 3.4Å; G114-L118 PolarHBondContact O-N 3.33Å
115Y89.9Confident84.1Confident17 Ų1774 Ų747%0.06740%0.397CS..Hα-helixtrans-67.3-41.9176179.4-90.7000111.4L94 W97 P110 S112 V113 M117 L118 F119L94-Y115 HydrophobicContact CD1-CD2 4.05Å; L94-Y115 HydrophobicContact CD1-CE1 4.33Å; L94-Y115 HydrophobicContact CD1-CE2 3.49Å; L94-Y115 VanDerWaalsContact CD1-CE2 3.49Å; L94-Y115 HydrophobicContact CG-CE2 4.37Å; W97-Y115 HydrophobicContact CB-CD2 4.24Å; W97-Y115 AromaticContact CD1-CD2 3.81Å; W97-Y115 HydrophobicContact CG-CD2 4.04Å; P110-Y115 HydrophobicContact CB-CD1 3.64Å; P110-Y115 HydrophobicContact CB-CD2 4.28Å; P110-Y115 HydrophobicContact CB-CE1 4Å; P110-Y115 HydrophobicContact CB-CG 3.81Å; P110-Y115 HydrophobicContact CG-CD1 3.48Å; P110-Y115 VanDerWaalsContact CG-CD1 3.48Å; P110-Y115 HydrophobicContact CG-CD2 4.32Å; P110-Y115 HydrophobicContact CG-CE1 3.28Å; P110-Y115 HydrophobicContact CG-CE2 4.13Å; P110-Y115 HydrophobicContact CG-CG 4.01Å; S112-Y115 PolarHBondContact O-N 3.2Å; V113-Y115 PolarHBondContact O-N 2.86Å; Y115-M117 PolarHBondContact O-N 3.43Å; Y115-L118 PolarHBondContact O-N 3.46Å; Y115-F119 VanDerWaalsContact O-CB 3.32Å; Y115-F119 WeakPolarHBondContact O-CB 3.47Å; Y115-F119 PolarHBondContact O-N 3.44Å
116Q90.4Very high85.2Confident110 Ų11070.5 Ų70.551%0.51438%0.38SS..Hα-helixtrans-64.3-39.7177.4-67.3177.86.400112.2S112 V113 F119 A120S112-Q116 PolarHBondContact O-N 2.76Å; S112-Q116 VanDerWaalsContact O-N 3.08Å; V113-Q116 PolarHBondContact O-N 2.84Å; Q116-F119 PolarHBondContact O-N 3.37Å; Q116-A120 WeakPolarHBondContact O-CB 3.47Å; Q116-A120 PolarHBondContact O-N 3.26Å
117M93.5Very high86.6Confident112 Ų11272.5 Ų72.555%0.55239%0.389SS*.Hα-helixtrans-62-49.4172.8-74.1-179.4173.600111.1V113 G114 Y115 F119 A120 F121V113-M117 HydrophobicContact CG1-CE 3.83Å; V113-M117 HydrophobicContact CG1-CG 4.48Å; V113-M117 HydrophobicContact CG1-SD 4.31Å; V113-M117 WeakPolarHBondContact O-CG 3.49Å; V113-M117 PolarHBondContact O-N 2.89Å; G114-M117 PolarHBondContact O-N 2.89Å; Y115-M117 PolarHBondContact O-N 3.43Å; M117-F119 VanDerWaalsContact C-N 3.29Å; M117-F119 PolarHBondContact O-N 3.15Å; M117-A120 PolarHBondContact O-N 3.34Å; M117-F121 HydrophobicContact CB-CD2 4.47Å; M117-F121 HydrophobicContact CB-CE2 4.45Å; M117-F121 WeakPolarHBondContact O-CD2 3.08Å; M117-F121 PolarHBondContact O-N 3.36Å
118L94.2Very high87.9Confident30 Ų3068 Ų6816%0.15737%0.365CS..Hα-helixtrans-59.2-42.3178.2-178.461.6000111.6L90 L94 G114 Y115 F121 Q122L90-L118 HydrophobicContact CD2-CD1 3.73Å; L94-L118 HydrophobicContact CB-CD2 4.21Å; L94-L118 HydrophobicContact CB-CG 4.28Å; L94-L118 HydrophobicContact CD1-CB 4.5Å; L94-L118 HydrophobicContact CD1-CD2 4.29Å; L94-L118 HydrophobicContact CD1-CG 4.14Å; G114-L118 WeakPolarHBondContact O-CB 3.4Å; G114-L118 PolarHBondContact O-N 3.33Å; Y115-L118 PolarHBondContact O-N 3.46Å; L118-F121 PolarHBondContact O-N 2.85Å; L118-Q122 WeakPolarHBondContact O-CB 3.49Å; L118-Q122 PolarHBondContact O-N 3.43Å
119F92.4Very high89.4Confident66 Ų6661.9 Ų61.929%0.28934%0.338SS..Hα-helixtrans-58-53.5173.8-179.1-89.6000110.7L94 Y115 Q116 M117 F121 Q122 R123L94-F119 HydrophobicContact CD1-CB 3.96Å; L94-F119 HydrophobicContact CD1-CD2 4.34Å; L94-F119 HydrophobicContact CD2-CD2 4.06Å; Y115-F119 VanDerWaalsContact O-CB 3.32Å; Y115-F119 WeakPolarHBondContact O-CB 3.47Å; Y115-F119 PolarHBondContact O-N 3.44Å; Q116-F119 PolarHBondContact O-N 3.37Å; M117-F119 VanDerWaalsContact C-N 3.29Å; M117-F119 PolarHBondContact O-N 3.15Å; F119-F121 VanDerWaalsContact C-N 3.31Å; F119-F121 PolarHBondContact O-N 3.33Å; F119-Q122 PolarHBondContact O-N 2.99Å; F119-R123 HydrophobicContact CD1-CG 4.04Å; F119-R123 HydrophobicContact CE1-CG 3.77Å; F119-R123 VanDerWaalsContact CE2-NH2 3.28Å; F119-R123 HydrophobicContact CZ-CG 4.11Å; F119-R123 VanDerWaalsContact CZ-NE 3.3Å; F119-R123 VanDerWaalsContact O-CG 3.29Å; F119-R123 WeakPolarHBondContact O-CG 3.04Å; F119-R123 PolarHBondContact O-N 2.92Å
120A93.6Very high90.8Very high51 Ų5158 Ų5842%0.42132%0.317SS..Hα-helixtrans-59.2-40.8179.500000112.6Q116 M117 R123 T124Q116-A120 WeakPolarHBondContact O-CB 3.47Å; Q116-A120 PolarHBondContact O-N 3.26Å; M117-A120 PolarHBondContact O-N 3.34Å; A120-R123 PolarHBondContact O-N 2.86Å; A120-T124 WeakPolarHBondContact O-CB 3.4Å; A120-T124 PolarHBondContact O-N 3.03Å; A120-T124 PolarHBondContact O-OG1 3.48Å
121F95.1Very high92Very high126 Ų12663.5 Ų63.555%0.55334%0.34SS*.Hα-helixtrans-64.2-46.8175.2-80.4-60.3000111.9M117 L118 F119 R123 T124 W125M117-F121 HydrophobicContact CB-CD2 4.47Å; M117-F121 HydrophobicContact CB-CE2 4.45Å; M117-F121 WeakPolarHBondContact O-CD2 3.08Å; M117-F121 PolarHBondContact O-N 3.36Å; L118-F121 PolarHBondContact O-N 2.85Å; F119-F121 VanDerWaalsContact C-N 3.31Å; F119-F121 PolarHBondContact O-N 3.33Å; F121-R123 VanDerWaalsContact C-N 3.3Å; F121-R123 PolarHBondContact O-N 3.03Å; F121-T124 PolarHBondContact O-N 3.37Å; F121-W125 WeakPolarHBondContact O-CB 3.46Å; F121-W125 PolarHBondContact O-N 3.32Å
122Q95.3Very high92.9Very high0 Ų061.5 Ų61.50%032%0.321CS..Hα-helixtrans-61-40178-169.3-83.4-7.900111.3N24 Y87 L90 S91 L94 L118 F119 W125 S126N24-Q122 PolarHBondContact OD1-NE2 3.21Å; Y87-Q122 HydrophobicContact CE2-CG 4.16Å; Y87-Q122 VanDerWaalsContact CE2-NE2 3.29Å; Y87-Q122 PolarHBondContact OH-NE2 2.99Å; L90-Q122 HydrophobicContact CB-CB 4.23Å; L90-Q122 HydrophobicContact CB-CG 4.09Å; S91-Q122 PolarHBondContact OG-NE2 3.35Å; L94-Q122 HydrophobicContact CD2-CB 4.11Å; L94-Q122 HydrophobicContact CD2-CG 4.07Å; L118-Q122 WeakPolarHBondContact O-CB 3.49Å; L118-Q122 PolarHBondContact O-N 3.43Å; F119-Q122 PolarHBondContact O-N 2.99Å; Q122-W125 PolarHBondContact O-N 3.19Å; Q122-S126 PolarHBondContact O-N 3.49Å
123R94.5Very high93.1Very high55 Ų5559.4 Ų59.421%0.20831%0.306CS..Hα-helixtrans-66.1-38.8174.8-61.5-44.6174.6148.71.6113.5N24 S27 F119 A120 F121 W125 S126N24-R123 VanDerWaalsContact O-CZ 3.28Å; N24-R123 PolarHBondContact O-NH1 2.97Å; N24-R123 PolarHBondContact O-NH2 3.43Å; N24-R123 PolarHBondContact OD1-NH1 2.95Å; S27-R123 PolarHBondContact OG-NH2 3.21Å; F119-R123 HydrophobicContact CD1-CG 4.04Å; F119-R123 HydrophobicContact CE1-CG 3.77Å; F119-R123 VanDerWaalsContact CE2-NH2 3.28Å; F119-R123 HydrophobicContact CZ-CG 4.11Å; F119-R123 VanDerWaalsContact CZ-NE 3.3Å; F119-R123 VanDerWaalsContact O-CG 3.29Å; F119-R123 WeakPolarHBondContact O-CG 3.04Å; F119-R123 PolarHBondContact O-N 2.92Å; A120-R123 PolarHBondContact O-N 2.86Å; F121-R123 VanDerWaalsContact C-N 3.3Å; F121-R123 PolarHBondContact O-N 3.03Å; R123-W125 VanDerWaalsContact C-N 3.33Å; R123-S126 PolarHBondContact O-OG 2.89Å
124T93.8Very high93.1Very high88 Ų8860.7 Ų60.754%0.5430%0.304SS..Hα-helixtrans-68.4-40176.7-55.30000110.5A120 F121 V127A120-T124 WeakPolarHBondContact O-CB 3.4Å; A120-T124 PolarHBondContact O-N 3.03Å; A120-T124 PolarHBondContact O-OG1 3.48Å; F121-T124 PolarHBondContact O-N 3.37Å; T124-V127 PolarHBondContact O-N 3.46Å
125W95.3Very high93.1Very high79 Ų7964.5 Ų64.530%0.29931%0.308SS..Hα-helixtrans-72.1-28.5-179.6-144.9-91.6000113.1V83 C86 Y87 L90 F121 Q122 R123 V127 L128 Y129V83-W125 PolarHBondContact O-NE1 3.45Å; C86-W125 HydrophobicContact CB-CZ2 3.81Å; C86-W125 VanDerWaalsContact CB-NE1 3.27Å; Y87-W125 HydrophobicContact CD2-CB 4.29Å; L90-W125 HydrophobicContact CD1-CB 3.75Å; L90-W125 HydrophobicContact CD1-CD2 4.15Å; L90-W125 HydrophobicContact CD1-CG 3.74Å; F121-W125 WeakPolarHBondContact O-CB 3.46Å; F121-W125 PolarHBondContact O-N 3.32Å; Q122-W125 PolarHBondContact O-N 3.19Å; R123-W125 VanDerWaalsContact C-N 3.33Å; W125-V127 VanDerWaalsContact C-N 3.32Å; W125-V127 PolarHBondContact O-N 3.45Å; W125-L128 HydrophobicContact CD2-CD1 4.31Å; W125-L128 HydrophobicContact CE3-CD1 4.11Å; W125-L128 HydrophobicContact CZ3-CD1 4.33Å; W125-L128 PolarHBondContact O-N 2.94Å; W125-Y129 WeakPolarHBondContact O-CB 3.35Å; W125-Y129 PolarHBondContact O-N 2.99Å
126S94.8Very high93Very high9 Ų963.8 Ų63.86%0.06331%0.305CS..Hα-helixtrans-62.3-39.4174.874.80000111.8Y87 Q122 R123 L128 Y129 Y130Y87-S126 VanDerWaalsContact CE2-CB 3.44Å; Q122-S126 PolarHBondContact O-N 3.49Å; R123-S126 PolarHBondContact O-OG 2.89Å; S126-L128 VanDerWaalsContact C-N 3.34Å; S126-L128 PolarHBondContact O-N 3.19Å; S126-Y129 WeakPolarHBondContact O-CB 3.31Å; S126-Y129 PolarHBondContact O-N 3.01Å; S126-Y130 WeakPolarHBondContact O-CD2 3.34Å; S126-Y130 WeakPolarHBondContact O-CE2 3.21Å; S126-Y130 PolarHBondContact O-N 3.05Å
127V94.3Very high92.9Very high96 Ų9659.5 Ų59.558%0.58229%0.286SS*.Hα-helixtrans-60.9-44.7175.6-179.20000111.1T124 W125 Y130 F131T124-V127 PolarHBondContact O-N 3.46Å; W125-V127 VanDerWaalsContact C-N 3.32Å; W125-V127 PolarHBondContact O-N 3.45Å; V127-Y130 PolarHBondContact O-N 2.69Å; V127-F131 WeakPolarHBondContact O-CB 3.26Å; V127-F131 PolarHBondContact O-N 2.86Å; V127-F131 VanDerWaalsContact O-N 3.07Å
128L93.5Very high92.4Very high67 Ų6761.7 Ų61.735%0.35129%0.289SS..Hα-helixtrans-62.5-45.9175.4-64.4177.3000110.8V83 W125 S126 Y130 F131 F132V83-L128 HydrophobicContact CG1-CB 4.32Å; W125-L128 HydrophobicContact CD2-CD1 4.31Å; W125-L128 HydrophobicContact CE3-CD1 4.11Å; W125-L128 HydrophobicContact CZ3-CD1 4.33Å; W125-L128 PolarHBondContact O-N 2.94Å; S126-L128 VanDerWaalsContact C-N 3.34Å; S126-L128 PolarHBondContact O-N 3.19Å; L128-Y130 PolarHBondContact O-N 2.82Å; L128-F131 PolarHBondContact O-N 2.92Å; L128-F132 HydrophobicContact CB-CD2 4.42Å; L128-F132 HydrophobicContact CD2-CE2 4.47Å; L128-F132 WeakPolarHBondContact O-CB 3.44Å; L128-F132 VanDerWaalsContact O-CD2 3.29Å; L128-F132 WeakPolarHBondContact O-CD2 3.49Å; L128-F132 PolarHBondContact O-N 3.19Å
129Y94.6Very high91.9Very high2 Ų265 Ų651%0.00830%0.299CS..Hα-helixtrans-54.8-51.6176.6170.2-111.4000111.9L17 V83 T84 Y87 W125 S126 F131 F132 Y133L17-Y129 HydrophobicContact CD2-CD1 4.4Å; L17-Y129 HydrophobicContact CD2-CE1 3.47Å; L17-Y129 VanDerWaalsContact CD2-CE1 3.47Å; V83-Y129 VanDerWaalsContact CG1-CA 3.49Å; T84-Y129 HydrophobicContact CG2-CE2 3.89Å; Y87-Y129 AromaticContact CD1-CD1 3.49Å; Y87-Y129 HydrophobicContact CD1-CD1 3.49Å; Y87-Y129 VanDerWaalsContact CD1-CD1 3.49Å; Y87-Y129 HydrophobicContact CD1-CD2 4.07Å; Y87-Y129 AromaticContact CD1-CE1 3.89Å; Y87-Y129 HydrophobicContact CD1-CE1 3.89Å; Y87-Y129 HydrophobicContact CD1-CE2 4.43Å; Y87-Y129 AromaticContact CD1-CG 3.58Å; Y87-Y129 HydrophobicContact CD1-CG 3.58Å; Y87-Y129 AromaticContact CE1-CD1 3.6Å; Y87-Y129 HydrophobicContact CE1-CD1 3.6Å; Y87-Y129 AromaticContact CE1-CE1 3.92Å; Y87-Y129 HydrophobicContact CE1-CE1 3.92Å; Y87-Y129 HydrophobicContact CE1-CG 4.15Å; Y87-Y129 HydrophobicContact CG-CD1 4.29Å; Y87-Y129 HydrophobicContact CG-CD2 4.48Å; Y87-Y129 AromaticContact CG-CG 3.99Å; Y87-Y129 HydrophobicContact CG-CG 3.99Å; W125-Y129 WeakPolarHBondContact O-CB 3.35Å; W125-Y129 PolarHBondContact O-N 2.99Å; S126-Y129 WeakPolarHBondContact O-CB 3.31Å; S126-Y129 PolarHBondContact O-N 3.01Å; Y129-F131 VanDerWaalsContact C-N 3.34Å; Y129-F131 PolarHBondContact O-N 3.44Å; Y129-F132 PolarHBondContact O-N 3.06Å; Y129-Y133 AromaticContact CE2-CD2 3.83Å; Y129-Y133 HydrophobicContact CE2-CD2 3.83Å; Y129-Y133 HydrophobicContact CE2-CG 4.39Å; Y129-Y133 WeakPolarHBondContact O-CB 3.44Å; Y129-Y133 PolarHBondContact O-N 2.96Å
130Y93.9Very high91.5Very high42 Ų4261.9 Ų61.917%0.16529%0.286CS..Hα-helixtrans-60.8-42.4178.6-57.2-39.3000112.9L17 D20 L21 N24 S126 V127 L128 K134L17-Y130 HydrophobicContact CD2-CD1 4.11Å; L17-Y130 HydrophobicContact CD2-CE1 4.36Å; D20-Y130 HydrophobicContact CB-CE1 4.49Å; D20-Y130 WeakPolarHBondContact OD2-CE1 3.44Å; D20-Y130 PolarHBondContact OD2-OH 3.44Å; L21-Y130 WeakPolarHBondContact CA-OH 3.49Å; L21-Y130 HydrophobicContact CD1-CE2 3.77Å; L21-Y130 PolarHBondContact N-OH 3.03Å; N24-Y130 PolarHBondContact ND2-OH 3.08Å; S126-Y130 WeakPolarHBondContact O-CD2 3.34Å; S126-Y130 WeakPolarHBondContact O-CE2 3.21Å; S126-Y130 PolarHBondContact O-N 3.05Å; V127-Y130 PolarHBondContact O-N 2.69Å; L128-Y130 PolarHBondContact O-N 2.82Å; Y130-K134 WeakPolarHBondContact O-CB 3.35Å; Y130-K134 PolarHBondContact O-N 3.12Å
131F93.5Very high90.9Very high122 Ų12260.9 Ų60.954%0.53528%0.281SS..Hα-helixtrans-64.2-52.5179.5176.4-99.5000112V127 L128 Y129 R135V127-F131 WeakPolarHBondContact O-CB 3.26Å; V127-F131 PolarHBondContact O-N 2.86Å; V127-F131 VanDerWaalsContact O-N 3.07Å; L128-F131 PolarHBondContact O-N 2.92Å; Y129-F131 VanDerWaalsContact C-N 3.34Å; Y129-F131 PolarHBondContact O-N 3.44Å; F131-R135 WeakPolarHBondContact O-CB 3.47Å; F131-R135 PolarHBondContact O-N 2.84Å
132F91.4Very high90.1Very high45 Ų4557.2 Ų57.220%0.19727%0.267CS..Hα-helixtrans-67.5-39.6-178.2-84.1-77.8000111.9D79 V80 V83 L128 Y129 R135 T136D79-F132 HydrophobicContact CB-CD1 4.17Å; D79-F132 HydrophobicContact CB-CE1 3.96Å; V80-F132 HydrophobicContact CG2-CB 3.84Å; V80-F132 HydrophobicContact CG2-CD1 4.1Å; V80-F132 HydrophobicContact CG2-CG 4.43Å; V83-F132 HydrophobicContact CG2-CD2 4.03Å; V83-F132 HydrophobicContact CG2-CE2 4.39Å; V83-F132 HydrophobicContact CG2-CG 4.43Å; L128-F132 HydrophobicContact CB-CD2 4.42Å; L128-F132 HydrophobicContact CD2-CE2 4.47Å; L128-F132 WeakPolarHBondContact O-CB 3.44Å; L128-F132 VanDerWaalsContact O-CD2 3.29Å; L128-F132 WeakPolarHBondContact O-CD2 3.49Å; L128-F132 PolarHBondContact O-N 3.19Å; Y129-F132 PolarHBondContact O-N 3.06Å; F132-R135 PolarHBondContact O-N 3.19Å; F132-T136 WeakPolarHBondContact O-CB 3.45Å; F132-T136 PolarHBondContact O-N 2.93Å; F132-T136 PolarHBondContact O-OG1 3.39Å
133Y90.7Very high89Confident2 Ų260.2 Ų60.21%0.00829%0.288CS..Hα-helixtrans-65.1-47.3177.9-161.6-85.5000111.2Q13 L17 C51 F55 Y129 R135 T136 I137Q13-Y133 HydrophobicContact CB-CE1 4.28Å; Q13-Y133 HydrophobicContact CG-CE1 4.41Å; Q13-Y133 PolarHBondContact NE2-OH 3.4Å; L17-Y133 HydrophobicContact CD1-CD1 3.61Å; L17-Y133 HydrophobicContact CD1-CE1 4.07Å; L17-Y133 HydrophobicContact CD1-CG 4.43Å; L17-Y133 HydrophobicContact CD2-CD1 4.26Å; L17-Y133 HydrophobicContact CG-CD1 4.26Å; L17-Y133 HydrophobicContact CG-CE1 4.39Å; C51-Y133 HydrophobicContact CB-CE2 4.17Å; C51-Y133 PolarHBondContact O-OH 3.41Å; F55-Y133 HydrophobicContact CB-CE2 4.37Å; Y129-Y133 AromaticContact CE2-CD2 3.83Å; Y129-Y133 HydrophobicContact CE2-CD2 3.83Å; Y129-Y133 HydrophobicContact CE2-CG 4.39Å; Y129-Y133 WeakPolarHBondContact O-CB 3.44Å; Y129-Y133 PolarHBondContact O-N 2.96Å; Y133-R135 PolarHBondContact O-N 3.49Å; Y133-T136 WeakPolarHBondContact O-CB 3.33Å; Y133-T136 PolarHBondContact O-N 3.38Å; Y133-I137 HydrophobicContact CD1-CD1 3.64Å; Y133-I137 HydrophobicContact CD1-CG1 4.01Å; Y133-I137 HydrophobicContact CE1-CD1 3.61Å; Y133-I137 HydrophobicContact CE1-CG1 3.98Å; Y133-I137 WeakPolarHBondContact O-CG1 3.49Å; Y133-I137 PolarHBondContact O-N 3.4Å
134K89.9Confident88Confident123 Ų12363.8 Ų63.854%0.53530%0.301SS..Hα-helixtrans-56.9-48174.7178.7175.4178.1178.70111.7Y130 T136 I137 Y138Y130-K134 WeakPolarHBondContact O-CB 3.35Å; Y130-K134 PolarHBondContact O-N 3.12Å; K134-T136 PolarHBondContact O-N 3.2Å; K134-I137 PolarHBondContact O-N 3.45Å; K134-Y138 HydrophobicContact CD-CE2 4.25Å; K134-Y138 HydrophobicContact CG-CD2 4.07Å; K134-Y138 HydrophobicContact CG-CE2 3.61Å; K134-Y138 WeakPolarHBondContact O-CD2 3.41Å; K134-Y138 PolarHBondContact O-N 3.36Å
135R90.9Very high86.9Confident112 Ų11260.8 Ų60.842%0.42328%0.28SS..Hα-helixtrans-57.3-36.1177.2-173.5178.9-173-174.84.1111.9F131 F132 Y133 R139F131-R135 WeakPolarHBondContact O-CB 3.47Å; F131-R135 PolarHBondContact O-N 2.84Å; F132-R135 PolarHBondContact O-N 3.19Å; Y133-R135 PolarHBondContact O-N 3.49Å; R135-R139 VanDerWaalsContact NH2-NH2 3.13Å; R135-R139 WeakPolarHBondContact O-CG 3.17Å; R135-R139 PolarHBondContact O-N 3.34Å
136T88.3Confident85.7Confident2 Ų259.2 Ų59.21%0.01227%0.274CS..Hα-helixtrans-74.5-41.3-178.1-64.10000113.1F55 F77 V80 F132 Y133 K134 Y138 R139 L140F55-T136 HydrophobicContact CD2-CG2 3.94Å; F55-T136 HydrophobicContact CE2-CG2 3.21Å; F55-T136 HydrophobicContact CZ-CG2 3.91Å; F77-T136 HydrophobicContact CD1-CG2 3.64Å; F77-T136 HydrophobicContact CE1-CG2 3.8Å; V80-T136 HydrophobicContact CG1-CG2 4.23Å; V80-T136 WeakPolarHBondContact CG2-OG1 3.43Å; F132-T136 WeakPolarHBondContact O-CB 3.45Å; F132-T136 PolarHBondContact O-N 2.93Å; F132-T136 PolarHBondContact O-OG1 3.39Å; Y133-T136 WeakPolarHBondContact O-CB 3.33Å; Y133-T136 PolarHBondContact O-N 3.38Å; K134-T136 PolarHBondContact O-N 3.2Å; T136-Y138 VanDerWaalsContact C-N 3.25Å; T136-Y138 PolarHBondContact O-N 3.48Å; T136-R139 PolarHBondContact O-N 2.95Å; T136-R139 VanDerWaalsContact O-N 3.13Å; T136-L140 WeakPolarHBondContact O-CB 3.29Å; T136-L140 PolarHBondContact O-N 2.82Å
137I86.5Confident84.6Confident21 Ų2164.1 Ų64.111%0.10830%0.296CS..Hα-helixtrans-54.7-46.6172.8-66.5171.3000109.9Y6 L10 Q13 Y133 K134 R139 L140 G141Y6-I137 PolarHBondContact OH-O 2.93Å; L10-I137 HydrophobicContact CD1-CG2 3.48Å; L10-I137 VanDerWaalsContact CD1-CG2 3.48Å; L10-I137 HydrophobicContact CG-CG2 3.89Å; Q13-I137 HydrophobicContact CB-CD1 4.18Å; Y133-I137 HydrophobicContact CD1-CD1 3.64Å; Y133-I137 HydrophobicContact CD1-CG1 4.01Å; Y133-I137 HydrophobicContact CE1-CD1 3.61Å; Y133-I137 HydrophobicContact CE1-CG1 3.98Å; Y133-I137 WeakPolarHBondContact O-CG1 3.49Å; Y133-I137 PolarHBondContact O-N 3.4Å; K134-I137 PolarHBondContact O-N 3.45Å; I137-R139 PolarHBondContact O-N 3.22Å; I137-L140 PolarHBondContact O-N 3.03Å; I137-G141 PolarHBondContact O-N 3.29Å
138Y84Confident83.2Confident157 Ų15763.8 Ų63.862%0.61629%0.291SS*.Hα-helixtrans-62.9-40.2178.4-73.3-64.6000113.2K134 T136 G141K134-Y138 HydrophobicContact CD-CE2 4.25Å; K134-Y138 HydrophobicContact CG-CD2 4.07Å; K134-Y138 HydrophobicContact CG-CE2 3.61Å; K134-Y138 WeakPolarHBondContact O-CD2 3.41Å; K134-Y138 PolarHBondContact O-N 3.36Å; T136-Y138 VanDerWaalsContact C-N 3.25Å; T136-Y138 PolarHBondContact O-N 3.48Å; Y138-G141 PolarHBondContact O-N 3.38Å
139R84.6Confident81.8Confident99 Ų9962 Ų6237%0.37428%0.284SS..Hα-helixtrans-65.2-43.6176.2-74.9176.3170.2-175.6-6.4111.9F77 R135 T136 I137 G141 D142 Y145F77-R139 HydrophobicContact CE1-CB 4.09Å; F77-R139 HydrophobicContact CZ-CB 4.44Å; R135-R139 VanDerWaalsContact NH2-NH2 3.13Å; R135-R139 WeakPolarHBondContact O-CG 3.17Å; R135-R139 PolarHBondContact O-N 3.34Å; T136-R139 PolarHBondContact O-N 2.95Å; T136-R139 VanDerWaalsContact O-N 3.13Å; I137-R139 PolarHBondContact O-N 3.22Å; R139-G141 PolarHBondContact O-N 3.45Å; R139-D142 WeakPolarHBondContact O-CB 3.45Å; R139-D142 PolarHBondContact O-N 2.87Å; R139-Y145 WeakPolarHBondContact O-CD2 3.4Å; R139-Y145 VanDerWaalsContact O-CE2 3.26Å; R139-Y145 WeakPolarHBondContact O-CE2 3.17Å
140L83.7Confident80.6Confident2 Ų268.9 Ų68.91%0.0132%0.316CS..Hα-helixtrans-76.4-13.1-177.3-15862.2000113F55 L58 L59 T62 F77 T136 I137 D142 Y146F55-L140 HydrophobicContact CD2-CD2 4.14Å; F55-L140 HydrophobicContact CE2-CD2 4.12Å; L58-L140 HydrophobicContact CB-CD2 3.34Å; L58-L140 HydrophobicContact CB-CG 4.26Å; L58-L140 HydrophobicContact CD1-CD2 3.94Å; L58-L140 HydrophobicContact CG-CD2 4.26Å; L59-L140 HydrophobicContact CD2-CD1 3.88Å; L59-L140 HydrophobicContact CD2-CD2 4.34Å; T62-L140 HydrophobicContact CG2-CD1 3.83Å; F77-L140 HydrophobicContact CE2-CD1 4.34Å; F77-L140 HydrophobicContact CZ-CD1 4.04Å; T136-L140 WeakPolarHBondContact O-CB 3.29Å; T136-L140 PolarHBondContact O-N 2.82Å; I137-L140 PolarHBondContact O-N 3.03Å; L140-D142 VanDerWaalsContact C-N 3.33Å; L140-Y146 VanDerWaalsContact O-CE2 3.25Å; L140-Y146 WeakPolarHBondContact O-CE2 3.46Å; L140-Y146 PolarHBondContact O-OH 2.97Å; L140-Y146 VanDerWaalsContact O-OH 3.12Å
141G79.8Confident79.5Confident30 Ų3070.4 Ų70.431%0.30932%0.322SS..THydrogen-bonded Turntrans-79-11.6169.500000114.9Y6 I137 Y138 R139 S143Y6-G141 WeakPolarHBondContact OH-CA 3.25Å; I137-G141 PolarHBondContact O-N 3.29Å; Y138-G141 PolarHBondContact O-N 3.38Å; R139-G141 PolarHBondContact O-N 3.45Å; G141-S143 PolarHBondContact O-N 3.19Å
142D79Confident78.2Confident48 Ų4864.8 Ų64.826%0.25730%0.298SS..  trans-67.8125.1176.8-163.1-31.1000109.6R139 L140 R144 Y145R139-D142 WeakPolarHBondContact O-CB 3.45Å; R139-D142 PolarHBondContact O-N 2.87Å; L140-D142 VanDerWaalsContact C-N 3.33Å; D142-R144 PolarHBondContact O-N 2.81Å; D142-R144 VanDerWaalsContact O-N 3.08Å; D142-R144 WeakPolarHBondContact OD1-CB 3.46Å; D142-R144 WeakPolarHBondContact OD1-CG 3.21Å; D142-R144 PolarHBondContact OD1-N 3.48Å; D142-R144 IonicContact OD1-NE 2.73Å; D142-R144 PolarHBondContact OD1-NE 2.98Å; D142-R144 VanDerWaalsContact OD1-NE 3.14Å; D142-R144 IonicContact OD2-CZ 2.93Å; D142-R144 IonicContact OD2-NE 2.82Å; D142-R144 PolarHBondContact OD2-NE 3.45Å; D142-R144 IonicContact OD2-NH2 3.14Å; D142-R144 PolarHBondContact OD2-NH2 3.27Å; D142-Y145 HydrophobicContact CB-CD2 4.27Å; D142-Y145 PolarHBondContact O-N 3.4Å
143S72Confident77.2Confident64 Ų6468 Ų6845%0.44831%0.311SS..G310 helixtrans-58.9-24.9-177.958.60000112.3G141 Y145 Y146 E147G141-S143 PolarHBondContact O-N 3.19Å; S143-Y145 PolarHBondContact O-N 2.88Å; S143-Y146 PolarHBondContact O-N 3.41Å; S143-E147 PolarHBondContact O-N 3.14Å
144R73Confident76.3Confident130 Ų13074 Ų7449%0.49134%0.337SS..G310 helixtrans-52.5-26.2177-83.4-173.4-82.9-167-1.8115.2D142 W151 I152D142-R144 PolarHBondContact O-N 2.81Å; D142-R144 VanDerWaalsContact O-N 3.08Å; D142-R144 WeakPolarHBondContact OD1-CB 3.46Å; D142-R144 WeakPolarHBondContact OD1-CG 3.21Å; D142-R144 PolarHBondContact OD1-N 3.48Å; D142-R144 IonicContact OD1-NE 2.73Å; D142-R144 PolarHBondContact OD1-NE 2.98Å; D142-R144 VanDerWaalsContact OD1-NE 3.14Å; D142-R144 IonicContact OD2-CZ 2.93Å; D142-R144 IonicContact OD2-NE 2.82Å; D142-R144 PolarHBondContact OD2-NE 3.45Å; D142-R144 IonicContact OD2-NH2 3.14Å; D142-R144 PolarHBondContact OD2-NH2 3.27Å; R144-W151 HydrophobicContact CB-CZ2 3.83Å; R144-W151 VanDerWaalsContact CB-NE1 3.34Å; R144-W151 WeakPolarHBondContact O-CZ2 3.35Å; R144-W151 PolarHBondContact O-NE1 2.95Å; R144-I152 VanDerWaalsContact O-CD1 3.28Å; R144-I152 WeakPolarHBondContact O-CD1 3.37Å
145Y70.5Confident75.4Confident24 Ų2471.2 Ų71.29%0.09433%0.326CS..G310 helixtrans-81.7-14.5176.7-74.1-77.2000113.9T62 F63 V64 L73 Q76 F77 R139 D142 S143 W151T62-Y145 WeakPolarHBondContact CB-O 3.43Å; F63-Y145 PolarHBondContact N-O 3.43Å; V64-Y145 HydrophobicContact CG2-CD1 4.32Å; L73-Y145 HydrophobicContact CD1-CD1 4.38Å; L73-Y145 HydrophobicContact CD1-CE1 4.34Å; Q76-Y145 PolarHBondContact OE1-OH 2.9Å; F77-Y145 HydrophobicContact CE2-CE1 4.24Å; F77-Y145 HydrophobicContact CZ-CE1 4.43Å; F77-Y145 HydrophobicContact CZ-CE2 4.48Å; R139-Y145 WeakPolarHBondContact O-CD2 3.4Å; R139-Y145 VanDerWaalsContact O-CE2 3.26Å; R139-Y145 WeakPolarHBondContact O-CE2 3.17Å; D142-Y145 HydrophobicContact CB-CD2 4.27Å; D142-Y145 PolarHBondContact O-N 3.4Å; S143-Y145 PolarHBondContact O-N 2.88Å; Y145-W151 HydrophobicContact CD1-CH2 4.24Å; Y145-W151 HydrophobicContact CD1-CZ2 4.41Å; Y145-W151 AromaticContact CE1-CH2 3.86Å; Y145-W151 HydrophobicContact CE1-CH2 3.86Å; Y145-W151 HydrophobicContact CE1-CZ2 4.44Å
146Y71.5Confident74.4Confident46 Ų4666.6 Ų66.618%0.1831%0.311CS..THydrogen-bonded Turntrans-110.6-8.8-175.6-57.8-84.6000113.5M1 S61 T62 L140 S143M1-Y146 HydrophobicContact CE-CE1 4.46Å; S61-Y146 WeakPolarHBondContact O-CD1 3.29Å; T62-Y146 HydrophobicContact CG2-CE1 4.17Å; L140-Y146 VanDerWaalsContact O-CE2 3.25Å; L140-Y146 WeakPolarHBondContact O-CE2 3.46Å; L140-Y146 PolarHBondContact O-OH 2.97Å; L140-Y146 VanDerWaalsContact O-OH 3.12Å; S143-Y146 PolarHBondContact O-N 3.41Å
147E70.1Confident73.6Confident112 Ų11273.1 Ų73.152%0.52334%0.341SS..SBendtrans-113.3147.2178.8-68.3176.3-172.500110.2S143 C149S143-E147 PolarHBondContact O-N 3.14Å; E147-C149 PolarHBondContact O-N 3.18Å
148D65.3Low73Confident89 Ų8978.6 Ų78.648%0.47637%0.37SS..  trans-73.180.4175.4-173.427.7000109.6F63 K153F63-D148 HydrophobicContact CE1-CB 4.02Å; F63-D148 WeakPolarHBondContact CE1-OD1 3.32Å; F63-D148 HydrophobicContact CZ-CB 4.01Å; D148-K153 WeakPolarHBondContact OD1-CE 3.43Å; D148-K153 IonicContact OD1-NZ 3.2Å; D148-K153 PolarHBondContact OD1-NZ 2.62Å; D148-K153 WeakPolarHBondContact OD2-CE 3.44Å; D148-K153 IonicContact OD2-NZ 3.49Å; D148-K153 PolarHBondContact OD2-NZ 3.44Å
149C64.5Low72.1Confident29 Ų2976.3 Ų76.320%0.19637%0.369CS..  trans-95.7144.9-179.1-590000111.9E147 W151 I152E147-C149 PolarHBondContact O-N 3.18Å; C149-W151 HydrophobicContact CB-CG 4.31Å; C149-W151 PolarHBondContact O-N 2.71Å; C149-I152 PolarHBondContact O-N 2.67Å
150E69Low70.7Confident147 Ų14781.7 Ų81.769%0.68740%0.395SS*.Hα-helixtrans-54.2-29.7177.5-74.8-172.6167.300114.2I152 K153 K154E150-I152 VanDerWaalsContact C-N 3.29Å; E150-I152 PolarHBondContact O-N 2.94Å; E150-K153 WeakPolarHBondContact O-CB 3.29Å; E150-K153 PolarHBondContact O-N 3.25Å; E150-K154 PolarHBondContact O-N 3.16Å
151W72Confident70.1Confident75 Ų7585.7 Ų85.728%0.28442%0.415SS..Hα-helixtrans-62.4-36.8179.378.6-90.2000112R144 Y145 C149 Q155R144-W151 HydrophobicContact CB-CZ2 3.83Å; R144-W151 VanDerWaalsContact CB-NE1 3.34Å; R144-W151 WeakPolarHBondContact O-CZ2 3.35Å; R144-W151 PolarHBondContact O-NE1 2.95Å; Y145-W151 HydrophobicContact CD1-CH2 4.24Å; Y145-W151 HydrophobicContact CD1-CZ2 4.41Å; Y145-W151 AromaticContact CE1-CH2 3.86Å; Y145-W151 HydrophobicContact CE1-CH2 3.86Å; Y145-W151 HydrophobicContact CE1-CZ2 4.44Å; C149-W151 HydrophobicContact CB-CG 4.31Å; C149-W151 PolarHBondContact O-N 2.71Å; W151-Q155 WeakPolarHBondContact O-CB 3.11Å; W151-Q155 PolarHBondContact O-N 3.31Å; W151-Q155 VanDerWaalsContact O-N 3.08Å
152I66.4Low69.6Low4 Ų488.6 Ų88.62%0.02142%0.42CS..Hα-helixtrans-66.4-44.5176.1-63.9173.1000109V64 R144 C149 E150 K154 Q155 V156V64-I152 HydrophobicContact CG2-CD1 3.56Å; V64-I152 HydrophobicContact CG2-CG1 4.16Å; V64-I152 HydrophobicContact CG2-CG2 4.05Å; R144-I152 VanDerWaalsContact O-CD1 3.28Å; R144-I152 WeakPolarHBondContact O-CD1 3.37Å; C149-I152 PolarHBondContact O-N 2.67Å; E150-I152 VanDerWaalsContact C-N 3.29Å; E150-I152 PolarHBondContact O-N 2.94Å; I152-K154 VanDerWaalsContact C-N 3.35Å; I152-K154 PolarHBondContact O-N 3.08Å; I152-Q155 PolarHBondContact O-N 3.44Å; I152-Q155 VanDerWaalsContact O-N 3.1Å; I152-V156 HydrophobicContact CG2-CG2 4.18Å; I152-V156 WeakPolarHBondContact O-CG2 3.38Å; I152-V156 PolarHBondContact O-N 3.17Å
153K69Low69Low111 Ų11190.9 Ų90.948%0.48343%0.429SS..Hα-helixtrans-57.2-47.7178.8-65.2-177.7-178.21690111.3D148 E150 Q155 V156 E157D148-K153 WeakPolarHBondContact OD1-CE 3.43Å; D148-K153 IonicContact OD1-NZ 3.2Å; D148-K153 PolarHBondContact OD1-NZ 2.62Å; D148-K153 WeakPolarHBondContact OD2-CE 3.44Å; D148-K153 IonicContact OD2-NZ 3.49Å; D148-K153 PolarHBondContact OD2-NZ 3.44Å; E150-K153 WeakPolarHBondContact O-CB 3.29Å; E150-K153 PolarHBondContact O-N 3.25Å; K153-Q155 VanDerWaalsContact C-N 3.33Å; K153-Q155 PolarHBondContact O-N 3.4Å; K153-V156 PolarHBondContact O-N 2.93Å; K153-E157 WeakPolarHBondContact O-CB 3.35Å; K153-E157 PolarHBondContact O-N 3.43Å
154K72.9Confident68.9Low128 Ų12892.5 Ų92.556%0.55743%0.428SS*.Hα-helixtrans-62.3-37.2175.9-71.8-176.6-178.6177.60113.1E150 I152 N158E150-K154 PolarHBondContact O-N 3.16Å; I152-K154 VanDerWaalsContact C-N 3.35Å; I152-K154 PolarHBondContact O-N 3.08Å; K154-N158 WeakPolarHBondContact O-CB 3.31Å; K154-N158 PolarHBondContact O-N 3.42Å; K154-N158 PolarHBondContact O-ND2 2.93Å
155Q70.5Confident68.6Low65 Ų6590.1 Ų90.130%0.30442%0.424SS..Hα-helixtrans-75.7-32.1-178.2-150.6178.219.200112.5L72 W151 I152 K153 N159L72-Q155 HydrophobicContact CD1-CG 4.26Å; W151-Q155 WeakPolarHBondContact O-CB 3.11Å; W151-Q155 PolarHBondContact O-N 3.31Å; W151-Q155 VanDerWaalsContact O-N 3.08Å; I152-Q155 PolarHBondContact O-N 3.44Å; I152-Q155 VanDerWaalsContact O-N 3.1Å; K153-Q155 VanDerWaalsContact C-N 3.33Å; K153-Q155 PolarHBondContact O-N 3.4Å; Q155-N159 PolarHBondContact O-N 2.92Å; Q155-N159 PolarHBondContact O-ND2 2.84Å
156V69.3Low68.5Low16 Ų1694.5 Ų94.510%0.09745%0.446CS..Hα-helixtrans-65.9-49.7169.2168.20000109.7Y69 L72 I152 K153 N158 N159 F160Y69-V156 HydrophobicContact CD1-CB 4.48Å; Y69-V156 HydrophobicContact CD1-CG1 3.89Å; Y69-V156 HydrophobicContact CD1-CG2 3.74Å; Y69-V156 HydrophobicContact CD2-CG2 3.86Å; Y69-V156 HydrophobicContact CE1-CB 4.19Å; Y69-V156 HydrophobicContact CE1-CG1 3.24Å; Y69-V156 HydrophobicContact CE1-CG2 3.82Å; Y69-V156 HydrophobicContact CE2-CG1 4.34Å; Y69-V156 HydrophobicContact CE2-CG2 3.93Å; Y69-V156 HydrophobicContact CG-CG2 3.77Å; L72-V156 HydrophobicContact CD2-CG2 4.13Å; I152-V156 HydrophobicContact CG2-CG2 4.18Å; I152-V156 WeakPolarHBondContact O-CG2 3.38Å; I152-V156 PolarHBondContact O-N 3.17Å; K153-V156 PolarHBondContact O-N 2.93Å; V156-N158 VanDerWaalsContact C-N 3.31Å; V156-N158 PolarHBondContact O-N 3.03Å; V156-N159 PolarHBondContact O-N 3.47Å; V156-N159 VanDerWaalsContact O-N 3.09Å; V156-F160 HydrophobicContact CG1-CD2 4.09Å; V156-F160 HydrophobicContact CG1-CE2 4.25Å; V156-F160 WeakPolarHBondContact O-CD2 3.36Å; V156-F160 PolarHBondContact O-N 3.48Å
157E73.1Confident68.3Low139 Ų13998 Ų9865%0.6547%0.465SS*.Hα-helixtrans-59.3-38.7-179.6-170175.6-167.800112.5K153 N159K153-E157 WeakPolarHBondContact O-CB 3.35Å; K153-E157 PolarHBondContact O-N 3.43Å; E157-N159 VanDerWaalsContact C-N 3.32Å; E157-N159 PolarHBondContact O-N 3.21Å
158N73Confident68.1Low135 Ų13596.9 Ų96.972%0.72246%0.461SS*.THydrogen-bonded Turntrans-75.1-13.9177.7-74.1-20000115K154 V156K154-N158 WeakPolarHBondContact O-CB 3.31Å; K154-N158 PolarHBondContact O-N 3.42Å; K154-N158 PolarHBondContact O-ND2 2.93Å; V156-N158 VanDerWaalsContact C-N 3.31Å; V156-N158 PolarHBondContact O-N 3.03Å
159N64.9Low68.4Low109 Ų10997.6 Ų97.658%0.58346%0.46SS*.THydrogen-bonded Turntrans-97.9-2.8178.2-82.5-65000113.1Q155 V156 E157Q155-N159 PolarHBondContact O-N 2.92Å; Q155-N159 PolarHBondContact O-ND2 2.84Å; V156-N159 PolarHBondContact O-N 3.47Å; V156-N159 VanDerWaalsContact O-N 3.09Å; E157-N159 VanDerWaalsContact C-N 3.32Å; E157-N159 PolarHBondContact O-N 3.21Å
160F55.7Low68.7Low213 Ų213103.8 Ų103.893%0.93448%0.484SS*.  trans-117.30174.7-77.9-76.5000110.4Y69 V156Y69-F160 HydrophobicContact CD1-CE2 4.37Å; Y69-F160 HydrophobicContact CE1-CE2 4.2Å; V156-F160 HydrophobicContact CG1-CD2 4.09Å; V156-F160 HydrophobicContact CG1-CE2 4.25Å; V156-F160 WeakPolarHBondContact O-CD2 3.36Å; V156-F160 PolarHBondContact O-N 3.48Å

Retrieved 160 of 160 residues in 61.8 ms (Link to these results)

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