A0A077ZH32_TRITR Loading...

Clc-like domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZH32, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 225 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
1M62.6Low85Confident138 Ų138103.5 Ų103.568%0.6850%0.503SS*.  0136.70-173.2152.98100108.5Y6 L9M1-Y6 HydrophobicContact CB-CD2 4.37Å; M1-Y6 HydrophobicContact CB-CE2 3.62Å; M1-Y6 HydrophobicContact CE-CD1 3.32Å; M1-Y6 HydrophobicContact CE-CD2 4.28Å; M1-Y6 HydrophobicContact CE-CE1 3.05Å; M1-Y6 HydrophobicContact CE-CE2 4.08Å; M1-Y6 HydrophobicContact CE-CG 3.94Å; M1-Y6 VanDerWaalsContact CE-CZ 3.47Å; M1-Y6 HydrophobicContact CG-CD2 4.22Å; M1-Y6 HydrophobicContact CG-CE2 3.94Å; M1-Y6 WeakPolarHBondContact O-CE2 3.44Å; M1-L9 HydrophobicContact CE-CD2 4.22Å
2N84.7Confident85.7Confident122 Ų122102.1 Ų102.165%0.65251%0.505SS*.  trans-73.3147.5-172.9-66.9-10.2000110.9R4 S5 Y6N2-R4 PolarHBondContact O-N 3.23Å; N2-R4 VanDerWaalsContact O-N 3.12Å; N2-S5 WeakPolarHBondContact O-CB 3.29Å; N2-S5 PolarHBondContact O-N 3.23Å; N2-Y6 WeakPolarHBondContact O-CD2 3.33Å; N2-Y6 PolarHBondContact O-N 3.42Å
3Q81.8Confident86.4Confident148 Ų14896.5 Ų96.569%0.69248%0.478SS*.Hα-helixtrans-51.8-37.1176.4-175177.9-17.900112.3Y6 V7Q3-Y6 PolarHBondContact O-N 3.3Å; Q3-V7 WeakPolarHBondContact O-CG2 3.37Å; Q3-V7 PolarHBondContact O-N 3.47Å
4R85.5Confident86.8Confident211 Ų21189.7 Ų89.780%0.79644%0.444SS*.Hα-helixtrans-60.6-44.4174-68.2-175.9177.6-178-0.8112.8N2 Y6 V7 I8N2-R4 PolarHBondContact O-N 3.23Å; N2-R4 VanDerWaalsContact O-N 3.12Å; R4-Y6 VanDerWaalsContact C-N 3.31Å; R4-Y6 PolarHBondContact O-N 3.34Å; R4-V7 PolarHBondContact O-N 3.49Å; R4-I8 WeakPolarHBondContact O-CG1 3.2Å; R4-I8 PolarHBondContact O-N 3.41Å
5S87.6Confident87.4Confident52 Ų5286.4 Ų86.436%0.36444%0.437SS..Hα-helixtrans-62.5-37.8-179.8-550000111.9N2 I8 L9N2-S5 WeakPolarHBondContact O-CB 3.29Å; N2-S5 PolarHBondContact O-N 3.23Å; S5-I8 PolarHBondContact O-N 2.74Å; S5-L9 WeakPolarHBondContact O-CB 3.38Å; S5-L9 PolarHBondContact O-N 2.72Å
6Y84.6Confident87.9Confident74 Ų7483.2 Ų83.229%0.2943%0.428SS..Hα-helixtrans-66.1-43.4176.3-74.6-75.6000113M1 N2 Q3 R4 I8 L9 K10 M203M1-Y6 HydrophobicContact CB-CD2 4.37Å; M1-Y6 HydrophobicContact CB-CE2 3.62Å; M1-Y6 HydrophobicContact CE-CD1 3.32Å; M1-Y6 HydrophobicContact CE-CD2 4.28Å; M1-Y6 HydrophobicContact CE-CE1 3.05Å; M1-Y6 HydrophobicContact CE-CE2 4.08Å; M1-Y6 HydrophobicContact CE-CG 3.94Å; M1-Y6 VanDerWaalsContact CE-CZ 3.47Å; M1-Y6 HydrophobicContact CG-CD2 4.22Å; M1-Y6 HydrophobicContact CG-CE2 3.94Å; M1-Y6 WeakPolarHBondContact O-CE2 3.44Å; N2-Y6 WeakPolarHBondContact O-CD2 3.33Å; N2-Y6 PolarHBondContact O-N 3.42Å; Q3-Y6 PolarHBondContact O-N 3.3Å; R4-Y6 VanDerWaalsContact C-N 3.31Å; R4-Y6 PolarHBondContact O-N 3.34Å; Y6-I8 VanDerWaalsContact C-N 3.32Å; Y6-I8 PolarHBondContact O-N 3.46Å; Y6-L9 PolarHBondContact O-N 3.42Å; Y6-K10 WeakPolarHBondContact O-CB 3.43Å; Y6-K10 PolarHBondContact O-N 3.21Å; Y6-M203 HydrophobicContact CD1-CE 3.57Å; Y6-M203 HydrophobicContact CD2-CE 3.39Å; Y6-M203 HydrophobicContact CE1-CE 3.71Å; Y6-M203 HydrophobicContact CE1-SD 4.37Å; Y6-M203 HydrophobicContact CE2-CE 3.52Å; Y6-M203 HydrophobicContact CG-CE 3.4Å; Y6-M203 VanDerWaalsContact CG-CE 3.4Å
7V86.5Confident88.4Confident80 Ų8078.3 Ų78.349%0.48540%0.402SS..Hα-helixtrans-62.4-43.5177.9175.20000110.4Q3 R4 K10 L11Q3-V7 WeakPolarHBondContact O-CG2 3.37Å; Q3-V7 PolarHBondContact O-N 3.47Å; R4-V7 PolarHBondContact O-N 3.49Å; V7-K10 PolarHBondContact O-N 2.66Å; V7-L11 HydrophobicContact CG1-CD1 4.12Å; V7-L11 WeakPolarHBondContact O-CG 3.47Å; V7-L11 PolarHBondContact O-N 2.83Å; V7-L11 VanDerWaalsContact O-N 3.07Å
8I90.1Very high88.8Confident107 Ų10774.2 Ų74.255%0.54938%0.382SS..Hα-helixtrans-62.3-49.4176.3-65.1166000110.3R4 S5 Y6 K10 L11 V12R4-I8 WeakPolarHBondContact O-CG1 3.2Å; R4-I8 PolarHBondContact O-N 3.41Å; S5-I8 PolarHBondContact O-N 2.74Å; Y6-I8 VanDerWaalsContact C-N 3.32Å; Y6-I8 PolarHBondContact O-N 3.46Å; I8-K10 VanDerWaalsContact C-N 3.33Å; I8-K10 PolarHBondContact O-N 2.98Å; I8-L11 PolarHBondContact O-N 2.9Å; I8-L11 VanDerWaalsContact O-N 3.17Å; I8-V12 HydrophobicContact CG2-CG2 4.17Å; I8-V12 VanDerWaalsContact O-CG2 3.31Å; I8-V12 WeakPolarHBondContact O-CG2 3.35Å; I8-V12 PolarHBondContact O-N 3.03Å
9L91.8Very high89.3Confident68 Ų6876.2 Ų76.236%0.35639%0.393SS..Hα-helixtrans-56.7-46.3179178.462.3000111.8M1 S5 Y6 L11 V12 L13 L199M1-L9 HydrophobicContact CE-CD2 4.22Å; S5-L9 WeakPolarHBondContact O-CB 3.38Å; S5-L9 PolarHBondContact O-N 2.72Å; Y6-L9 PolarHBondContact O-N 3.42Å; L9-L11 PolarHBondContact O-N 3.27Å; L9-V12 PolarHBondContact O-N 3.17Å; L9-L13 HydrophobicContact CD1-CD1 4.03Å; L9-L13 HydrophobicContact CD1-CG 4.1Å; L9-L13 HydrophobicContact CG-CD1 3.96Å; L9-L13 HydrophobicContact CG-CG 4.44Å; L9-L13 WeakPolarHBondContact O-CB 3.33Å; L9-L13 VanDerWaalsContact O-CG 3.29Å; L9-L13 WeakPolarHBondContact O-CG 3.33Å; L9-L13 PolarHBondContact O-N 2.68Å; L9-L199 HydrophobicContact CD2-CD1 4.23Å; L9-L199 HydrophobicContact CG-CD1 4.4Å
10K89.7Confident89.7Confident59 Ų5974.1 Ų74.126%0.25738%0.382SS..Hα-helixtrans-56.8-49.6176.2178-166.2161.8-179.40111.4Y6 V7 I8 V12 L13 H14 Y128 V200Y6-K10 WeakPolarHBondContact O-CB 3.43Å; Y6-K10 PolarHBondContact O-N 3.21Å; V7-K10 PolarHBondContact O-N 2.66Å; I8-K10 VanDerWaalsContact C-N 3.33Å; I8-K10 PolarHBondContact O-N 2.98Å; K10-V12 VanDerWaalsContact C-N 3.35Å; K10-L13 PolarHBondContact O-N 3.07Å; K10-H14 WeakPolarHBondContact O-CB 3.44Å; K10-H14 PolarHBondContact O-N 2.68Å; K10-Y128 WeakPolarHBondContact CE-OH 3.22Å; K10-Y128 PolarHBondContact NZ-OH 3.26Å; K10-V200 HydrophobicContact CD-CG2 3.72Å; K10-V200 HydrophobicContact CG-CG2 4.21Å
11L89.7Confident90.1Very high79 Ų7970.6 Ų70.641%0.41436%0.364SS..Hα-helixtrans-64.1-40.9-178.6-71.5171.7000111.7V7 I8 L9 H14 A15 Y122V7-L11 HydrophobicContact CG1-CD1 4.12Å; V7-L11 WeakPolarHBondContact O-CG 3.47Å; V7-L11 PolarHBondContact O-N 2.83Å; V7-L11 VanDerWaalsContact O-N 3.07Å; I8-L11 PolarHBondContact O-N 2.9Å; I8-L11 VanDerWaalsContact O-N 3.17Å; L9-L11 PolarHBondContact O-N 3.27Å; L11-H14 PolarHBondContact O-N 3.28Å; L11-A15 VanDerWaalsContact O-CB 3.29Å; L11-A15 WeakPolarHBondContact O-CB 3.33Å; L11-A15 PolarHBondContact O-N 2.9Å; L11-Y122 HydrophobicContact CD2-CE1 4.08Å
12V94.2Very high91.7Very high87 Ų8767.3 Ų67.353%0.52735%0.352SS..Hα-helixtrans-64.1-46.3177.1171.60000111I8 L9 K10 A15 A16I8-V12 HydrophobicContact CG2-CG2 4.17Å; I8-V12 VanDerWaalsContact O-CG2 3.31Å; I8-V12 WeakPolarHBondContact O-CG2 3.35Å; I8-V12 PolarHBondContact O-N 3.03Å; L9-V12 PolarHBondContact O-N 3.17Å; K10-V12 VanDerWaalsContact C-N 3.35Å; V12-A15 PolarHBondContact O-N 3.12Å; V12-A16 VanDerWaalsContact O-CB 3.24Å; V12-A16 WeakPolarHBondContact O-CB 3.26Å; V12-A16 PolarHBondContact O-N 3.27Å
13L93.8Very high92.4Very high30 Ų3064.6 Ų64.616%0.15734%0.339CS..Hα-helixtrans-62-44.7177.6-71.7172000111.8L9 K10 A16 A17 L192 C196 L199L9-L13 HydrophobicContact CD1-CD1 4.03Å; L9-L13 HydrophobicContact CD1-CG 4.1Å; L9-L13 HydrophobicContact CG-CD1 3.96Å; L9-L13 HydrophobicContact CG-CG 4.44Å; L9-L13 WeakPolarHBondContact O-CB 3.33Å; L9-L13 VanDerWaalsContact O-CG 3.29Å; L9-L13 WeakPolarHBondContact O-CG 3.33Å; L9-L13 PolarHBondContact O-N 2.68Å; K10-L13 PolarHBondContact O-N 3.07Å; L13-A16 PolarHBondContact O-N 3.07Å; L13-A17 WeakPolarHBondContact O-CB 3.49Å; L13-A17 PolarHBondContact O-N 2.76Å; L13-L192 HydrophobicContact CD2-CD2 4.03Å; L13-C196 HydrophobicContact CB-CB 4.43Å; L13-L199 HydrophobicContact CD1-CD1 3.62Å
14H93.1Very high93.2Very high1 Ų157.6 Ų57.61%0.00531%0.306CS..Hα-helixtrans-60.5-50.5177.1-168.864000111.2K10 L11 A17 G18 F118 Y122 Y128 W131K10-H14 WeakPolarHBondContact O-CB 3.44Å; K10-H14 PolarHBondContact O-N 2.68Å; L11-H14 PolarHBondContact O-N 3.28Å; H14-A17 PolarHBondContact O-N 3.3Å; H14-G18 PolarHBondContact O-N 3.42Å; H14-F118 AromaticContact CD2-CD2 3.9Å; H14-F118 AromaticContact CD2-CE2 3.38Å; H14-F118 WeakPolarHBondContact CD2-CE2 3.27Å; H14-F118 AromaticContact CE1-CD2 3.4Å; H14-F118 WeakPolarHBondContact CE1-CD2 3.39Å; H14-F118 AromaticContact CE1-CE2 3.7Å; H14-F118 AromaticContact CG-CE2 3.95Å; H14-F118 AromaticContact NE2-CD2 3.23Å; H14-F118 WeakPolarHBondContact NE2-CD2 3.37Å; H14-F118 AromaticContact NE2-CE2 3.21Å; H14-F118 WeakPolarHBondContact NE2-CE2 3.3Å; H14-F118 PolarHBondContact NE2-O 3.28Å; H14-F118 WeakPolarHBondContact O-CE2 3.29Å; H14-Y122 AromaticContact CD2-CZ 3.66Å; H14-Y122 PolarHBondContact CD2-OH 3.48Å; H14-Y128 AromaticContact CE1-CE1 3.7Å; H14-Y128 AromaticContact ND1-CD1 3.93Å; H14-Y128 AromaticContact ND1-CE1 3.4Å; H14-Y128 WeakPolarHBondContact ND1-CE1 3.22Å; H14-W131 AromaticContact CE1-CE3 3.72Å; H14-W131 AromaticContact CE1-CZ3 3.37Å; H14-W131 WeakPolarHBondContact CE1-CZ3 3.34Å; H14-W131 AromaticContact ND1-CE3 3.97Å; H14-W131 AromaticContact ND1-CZ3 3.32Å; H14-W131 VanDerWaalsContact ND1-CZ3 3.32Å; H14-W131 WeakPolarHBondContact ND1-CZ3 3.3Å
15A94.6Very high93.8Very high40 Ų4047.9 Ų47.933%0.33127%0.271SS..Hα-helixtrans-62.4-44.717900000112.5L11 V12 A17 G18 I19L11-A15 VanDerWaalsContact O-CB 3.29Å; L11-A15 WeakPolarHBondContact O-CB 3.33Å; L11-A15 PolarHBondContact O-N 2.9Å; V12-A15 PolarHBondContact O-N 3.12Å; A15-A17 VanDerWaalsContact C-N 3.35Å; A15-A17 PolarHBondContact O-N 3.26Å; A15-G18 PolarHBondContact O-N 3.07Å; A15-I19 WeakPolarHBondContact O-CG1 3.44Å; A15-I19 PolarHBondContact O-N 3.36Å
16A96.8Very high94.2Very high35 Ų3548.2 Ų48.229%0.28927%0.273SS..Hα-helixtrans-60-45.2177.400000111.4V12 L13 G18 I19 L20 L192V12-A16 VanDerWaalsContact O-CB 3.24Å; V12-A16 WeakPolarHBondContact O-CB 3.26Å; V12-A16 PolarHBondContact O-N 3.27Å; L13-A16 PolarHBondContact O-N 3.07Å; A16-G18 VanDerWaalsContact C-N 3.34Å; A16-G18 PolarHBondContact O-N 2.92Å; A16-I19 PolarHBondContact O-N 3.35Å; A16-L20 WeakPolarHBondContact O-CG 3.35Å; A16-L20 PolarHBondContact O-N 3.49Å; A16-L192 HydrophobicContact CB-CD1 4.23Å
17A96.2Very high94.9Very high0 Ų046.7 Ų46.70%027%0.27CS..Hα-helixtrans-65.3-37.4177.200000112.6L13 H14 A15 L20 M21 W131 C189 L192 N193L13-A17 WeakPolarHBondContact O-CB 3.49Å; L13-A17 PolarHBondContact O-N 2.76Å; H14-A17 PolarHBondContact O-N 3.3Å; A15-A17 VanDerWaalsContact C-N 3.35Å; A15-A17 PolarHBondContact O-N 3.26Å; A17-L20 PolarHBondContact O-N 3.4Å; A17-M21 WeakPolarHBondContact O-CB 3.46Å; A17-M21 PolarHBondContact O-N 3.41Å; A17-W131 HydrophobicContact CB-CH2 3.77Å; A17-W131 HydrophobicContact CB-CZ3 4.43Å; A17-C189 PolarHBondContact O-SG 3.2Å; A17-L192 HydrophobicContact CB-CB 3.85Å; A17-L192 HydrophobicContact CB-CD1 4.42Å; A17-N193 WeakPolarHBondContact CB-OD1 3.25Å
18G95.7Very high95.4Very high4 Ų443 Ų434%0.04125%0.247CC..Hα-helixtrans-60.1-44.6172.700000112.7H14 A15 A16 M21 V22H14-G18 PolarHBondContact O-N 3.42Å; A15-G18 PolarHBondContact O-N 3.07Å; A16-G18 VanDerWaalsContact C-N 3.34Å; A16-G18 PolarHBondContact O-N 2.92Å; G18-M21 WeakPolarHBondContact O-CB 3.34Å; G18-M21 PolarHBondContact O-N 2.86Å; G18-V22 WeakPolarHBondContact O-CG2 3.28Å; G18-V22 PolarHBondContact O-N 3.42Å; G18-V22 VanDerWaalsContact O-N 3.12Å
19I97.6Very high95.7Very high112 Ų11241.4 Ų41.457%0.57424%0.239SC*.Hα-helixtrans-62.6-46.9176.2-66.8165.7000110.7A15 A16 M21 V22 V23A15-I19 WeakPolarHBondContact O-CG1 3.44Å; A15-I19 PolarHBondContact O-N 3.36Å; A16-I19 PolarHBondContact O-N 3.35Å; I19-M21 VanDerWaalsContact C-N 3.27Å; I19-M21 PolarHBondContact O-N 3.12Å; I19-V22 PolarHBondContact O-N 3.01Å; I19-V23 WeakPolarHBondContact O-CG2 3.29Å; I19-V23 PolarHBondContact O-N 2.98Å
20L97.4Very high95.9Very high35 Ų3540.9 Ų40.918%0.18324%0.241CC..Hα-helixtrans-59.1-39.7177.4-69.1173.1000112A16 A17 V23 A24 L185 L188 C189 L192A16-L20 WeakPolarHBondContact O-CG 3.35Å; A16-L20 PolarHBondContact O-N 3.49Å; A17-L20 PolarHBondContact O-N 3.4Å; L20-V23 PolarHBondContact O-N 3.23Å; L20-A24 VanDerWaalsContact O-CB 3.27Å; L20-A24 WeakPolarHBondContact O-CB 3.41Å; L20-A24 PolarHBondContact O-N 3.06Å; L20-L185 HydrophobicContact CD2-CD2 3.96Å; L20-L188 HydrophobicContact CD1-CD2 3.96Å; L20-L188 HydrophobicContact CD1-CG 3.9Å; L20-L188 HydrophobicContact CD2-CD2 4.35Å; L20-C189 HydrophobicContact CB-CB 4.16Å; L20-L192 HydrophobicContact CD1-CD1 3.6Å
21M97.3Very high96.2Very high0 Ų038.1 Ų38.10%023%0.229CC..Hα-helixtrans-61.2-45.7176.9-169.968.3150.900111.6A17 G18 I19 A24 V25 L115 N135 F186A17-M21 WeakPolarHBondContact O-CB 3.46Å; A17-M21 PolarHBondContact O-N 3.41Å; G18-M21 WeakPolarHBondContact O-CB 3.34Å; G18-M21 PolarHBondContact O-N 2.86Å; I19-M21 VanDerWaalsContact C-N 3.27Å; I19-M21 PolarHBondContact O-N 3.12Å; M21-A24 PolarHBondContact O-N 3.27Å; M21-V25 WeakPolarHBondContact O-CB 3.31Å; M21-V25 VanDerWaalsContact O-CG2 3.3Å; M21-V25 WeakPolarHBondContact O-CG2 3.31Å; M21-V25 PolarHBondContact O-N 3.17Å; M21-L115 HydrophobicContact CB-CD2 4.05Å; M21-L115 HydrophobicContact CG-CD2 3.78Å; M21-L115 HydrophobicContact CG-CG 4.37Å; M21-N135 HydrophobicContact CE-CB 4.18Å; M21-F186 HydrophobicContact CE-CE1 4.24Å; M21-F186 HydrophobicContact SD-CD1 3.75Å; M21-F186 HydrophobicContact SD-CE1 3.5Å; M21-F186 WeakPolarHBondContact SD-CE1 3.5Å
22V97.8Very high96.4Very high70 Ų7035 Ų3542%0.42421%0.213SC..Hα-helixtrans-60.1-48.5177173.40000110.4G18 I19 A24 V25 S26 L115G18-V22 WeakPolarHBondContact O-CG2 3.28Å; G18-V22 PolarHBondContact O-N 3.42Å; G18-V22 VanDerWaalsContact O-N 3.12Å; I19-V22 PolarHBondContact O-N 3.01Å; V22-A24 PolarHBondContact O-N 3.3Å; V22-V25 PolarHBondContact O-N 3.27Å; V22-S26 PolarHBondContact O-N 3.42Å; V22-S26 PolarHBondContact O-OG 3.3Å; V22-S26 VanDerWaalsContact O-OG 3.07Å; V22-L115 HydrophobicContact CG2-CD1 4.02Å; V22-L115 HydrophobicContact CG2-CD2 3.81Å
23V98.4Very high96.3Very high65 Ų6534.7 Ų34.739%0.39421%0.211SC..Hα-helixtrans-63.5-42.5179.5178.60000111.5I19 L20 V25 S26 L27 L185I19-V23 WeakPolarHBondContact O-CG2 3.29Å; I19-V23 PolarHBondContact O-N 2.98Å; L20-V23 PolarHBondContact O-N 3.23Å; V23-V25 PolarHBondContact O-N 3.35Å; V23-S26 PolarHBondContact O-N 3.1Å; V23-L27 HydrophobicContact CG1-CD1 3.96Å; V23-L27 HydrophobicContact CG1-CG 4.32Å; V23-L27 WeakPolarHBondContact O-CG 3.37Å; V23-L27 PolarHBondContact O-N 3.35Å; V23-L185 HydrophobicContact CB-CD1 4.25Å; V23-L185 HydrophobicContact CG1-CD1 3.65Å
24A98Very high96.3Very high0 Ų034.8 Ų34.80%021%0.214CC..Hα-helixtrans-60.1-45.9177.500000111.9L20 M21 V22 T28 L185 F186L20-A24 VanDerWaalsContact O-CB 3.27Å; L20-A24 WeakPolarHBondContact O-CB 3.41Å; L20-A24 PolarHBondContact O-N 3.06Å; M21-A24 PolarHBondContact O-N 3.27Å; V22-A24 PolarHBondContact O-N 3.3Å; A24-T28 WeakPolarHBondContact O-CB 3.32Å; A24-T28 PolarHBondContact O-N 2.9Å; A24-T28 PolarHBondContact O-OG1 3.43Å; A24-L185 HydrophobicContact CB-CB 3.75Å; A24-F186 HydrophobicContact CB-CD1 3.95Å; A24-F186 HydrophobicContact CB-CD2 4.21Å; A24-F186 HydrophobicContact CB-CE1 3.87Å; A24-F186 HydrophobicContact CB-CE2 4.13Å; A24-F186 HydrophobicContact CB-CG 4.11Å; A24-F186 HydrophobicContact CB-CZ 3.96Å
25V97.8Very high96.2Very high7 Ų735.3 Ų35.34%0.04222%0.217CC..Hα-helixtrans-62.9-46.1176.3170.60000110.5M21 V22 V23 T28 I29 V112 F186M21-V25 WeakPolarHBondContact O-CB 3.31Å; M21-V25 VanDerWaalsContact O-CG2 3.3Å; M21-V25 WeakPolarHBondContact O-CG2 3.31Å; M21-V25 PolarHBondContact O-N 3.17Å; V22-V25 PolarHBondContact O-N 3.27Å; V23-V25 PolarHBondContact O-N 3.35Å; V25-T28 PolarHBondContact O-N 3.17Å; V25-I29 HydrophobicContact CG1-CD1 3.65Å; V25-I29 HydrophobicContact CG1-CG1 4.38Å; V25-I29 VanDerWaalsContact O-CG1 3.29Å; V25-I29 WeakPolarHBondContact O-CG1 3.4Å; V25-I29 PolarHBondContact O-N 3.25Å; V25-V112 HydrophobicContact CG1-CG2 4.12Å; V25-F186 HydrophobicContact CG2-CE1 4.15Å; V25-F186 HydrophobicContact CG2-CZ 3.93Å
26S98Very high96.1Very high60 Ų6033.4 Ų33.442%0.4220%0.201SC..Hα-helixtrans-60.3-47.6178.2-63.40000112.5V22 V23 T28 I29 S30V22-S26 PolarHBondContact O-N 3.42Å; V22-S26 PolarHBondContact O-OG 3.3Å; V22-S26 VanDerWaalsContact O-OG 3.07Å; V23-S26 PolarHBondContact O-N 3.1Å; S26-T28 VanDerWaalsContact C-N 3.32Å; S26-T28 PolarHBondContact O-N 3.37Å; S26-I29 PolarHBondContact O-N 3.41Å; S26-S30 WeakPolarHBondContact O-CB 3.32Å; S26-S30 PolarHBondContact O-N 3.4Å; S26-S30 PolarHBondContact O-OG 2.92Å; S26-S30 VanDerWaalsContact O-OG 3.1Å
27L97.6Very high96Very high42 Ų4231.8 Ų31.822%0.2219%0.188CC..Hα-helixtrans-61.5-40.8177.6-72.2172.1000112V23 S30 G31 L178 L185V23-L27 HydrophobicContact CG1-CD1 3.96Å; V23-L27 HydrophobicContact CG1-CG 4.32Å; V23-L27 WeakPolarHBondContact O-CG 3.37Å; V23-L27 PolarHBondContact O-N 3.35Å; L27-S30 PolarHBondContact O-N 3.46Å; L27-G31 PolarHBondContact O-N 2.91Å; L27-L178 HydrophobicContact CD2-CD2 3.79Å; L27-L185 HydrophobicContact CD1-CD1 3.66Å
28T97Very high95.8Very high1 Ų132.4 Ų32.41%0.00619%0.19CC..Hα-helixtrans-62.9-45.8176.7-550000111A24 V25 S26 G31 V32 L104A24-T28 WeakPolarHBondContact O-CB 3.32Å; A24-T28 PolarHBondContact O-N 2.9Å; A24-T28 PolarHBondContact O-OG1 3.43Å; V25-T28 PolarHBondContact O-N 3.17Å; S26-T28 VanDerWaalsContact C-N 3.32Å; S26-T28 PolarHBondContact O-N 3.37Å; T28-G31 PolarHBondContact O-N 3.49Å; T28-V32 WeakPolarHBondContact O-CG2 3.35Å; T28-V32 PolarHBondContact O-N 3Å; T28-L104 HydrophobicContact CG2-CB 4.22Å; T28-L104 HydrophobicContact CG2-CD2 4.05Å
29I96.8Very high95.6Very high75 Ų7533 Ų3339%0.38519%0.194SC..Hα-helixtrans-63.4-46.4177.2-68.3168.6000110.6V25 S26 G31 V32 V33V25-I29 HydrophobicContact CG1-CD1 3.65Å; V25-I29 HydrophobicContact CG1-CG1 4.38Å; V25-I29 VanDerWaalsContact O-CG1 3.29Å; V25-I29 WeakPolarHBondContact O-CG1 3.4Å; V25-I29 PolarHBondContact O-N 3.25Å; S26-I29 PolarHBondContact O-N 3.41Å; I29-G31 VanDerWaalsContact C-N 3.3Å; I29-G31 PolarHBondContact O-N 2.86Å; I29-V32 PolarHBondContact O-N 3.07Å; I29-V33 HydrophobicContact CG2-CG2 4.26Å; I29-V33 WeakPolarHBondContact O-CG2 3.38Å; I29-V33 PolarHBondContact O-N 3.42Å
30S96.6Very high95.2Very high57 Ų5727.8 Ų27.840%0.39917%0.167SC..Hα-helixtrans-59.5-41176.4-640000112S26 L27 T34S26-S30 WeakPolarHBondContact O-CB 3.32Å; S26-S30 PolarHBondContact O-N 3.4Å; S26-S30 PolarHBondContact O-OG 2.92Å; S26-S30 VanDerWaalsContact O-OG 3.1Å; L27-S30 PolarHBondContact O-N 3.46Å; S30-T34 WeakPolarHBondContact O-CB 3.48Å; S30-T34 WeakPolarHBondContact O-CG2 3.18Å; S30-T34 PolarHBondContact O-N 3.4Å; S30-T34 VanDerWaalsContact O-N 3.16Å; S30-T34 PolarHBondContact O-OG1 2.87Å
31G95.2Very high94.8Very high0 Ų030.3 Ų30.30%018%0.181CC..Hα-helixtrans-60.7-46.6173.700000112L27 T28 I29 T34 W37L27-G31 PolarHBondContact O-N 2.91Å; T28-G31 PolarHBondContact O-N 3.49Å; I29-G31 VanDerWaalsContact C-N 3.3Å; I29-G31 PolarHBondContact O-N 2.86Å; G31-T34 PolarHBondContact O-N 3.33Å; G31-T34 PolarHBondContact O-OG1 2.88Å; G31-W37 PolarHBondContact O-NE1 2.89Å
32V94.4Very high94.3Very high13 Ų1330.6 Ų30.68%0.07918%0.182CC..Hα-helixtrans-65.4-39.9179.4168.90000112.7T28 I29 T34 W54 L101 L104T28-V32 WeakPolarHBondContact O-CG2 3.35Å; T28-V32 PolarHBondContact O-N 3Å; I29-V32 PolarHBondContact O-N 3.07Å; V32-T34 VanDerWaalsContact C-N 3.34Å; V32-W54 PolarHBondContact O-NE1 2.96Å; V32-L101 HydrophobicContact CG1-CD1 3.51Å; V32-L104 HydrophobicContact CG2-CB 3.68Å; V32-L104 HydrophobicContact CG2-CD1 3.95Å; V32-L104 HydrophobicContact CG2-CG 4.47Å
33V93Very high93.5Very high81 Ų8131.1 Ų31.149%0.49119%0.186SC..Hα-helixtrans-73.4-26.6-177.41720000112.2I29I29-V33 HydrophobicContact CG2-CG2 4.26Å; I29-V33 WeakPolarHBondContact O-CG2 3.38Å; I29-V33 PolarHBondContact O-N 3.42Å
34T93.3Very high92.8Very high33 Ų3333.7 Ų33.720%0.20219%0.193CC..SBendtrans-90.5143.3-175.748.90000112.8S30 G31 V32 A36 Y174 S175S30-T34 WeakPolarHBondContact O-CB 3.48Å; S30-T34 WeakPolarHBondContact O-CG2 3.18Å; S30-T34 PolarHBondContact O-N 3.4Å; S30-T34 VanDerWaalsContact O-N 3.16Å; S30-T34 PolarHBondContact O-OG1 2.87Å; G31-T34 PolarHBondContact O-N 3.33Å; G31-T34 PolarHBondContact O-OG1 2.88Å; V32-T34 VanDerWaalsContact C-N 3.34Å; T34-A36 VanDerWaalsContact C-N 3.34Å; T34-A36 PolarHBondContact O-N 3.46Å; T34-Y174 HydrophobicContact CG2-CE2 4.16Å; T34-S175 VanDerWaalsContact CB-OG 3.29Å; T34-S175 WeakPolarHBondContact CB-OG 3.5Å; T34-S175 PolarHBondContact O-OG 2.77Å; T34-S175 WeakPolarHBondContact OG1-CB 3.5Å; T34-S175 PolarHBondContact OG1-OG 3.09Å
35P90.8Very high91.8Very high12 Ų1236.7 Ų36.78%0.07821%0.209CC..SBendtrans-83.50.3-173.634.5-38.4000114.5W37 E50 H51 G52 M55 C57P35-W37 VanDerWaalsContact C-N 3.35Å; P35-W37 PolarHBondContact O-N 3.36Å; P35-W37 VanDerWaalsContact O-N 3.14Å; P35-E50 HydrophobicContact CB-CB 4.34Å; P35-E50 HydrophobicContact CG-CB 4.47Å; P35-E50 CarbonylContact O-C 3.53Å; P35-H51 CarbonylContact O-C 3.59Å; P35-H51 PolarHBondContact O-N 3.1Å; P35-G52 VanDerWaalsContact O-CA 3.31Å; P35-G52 WeakPolarHBondContact O-CA 3.3Å; P35-G52 PolarHBondContact O-N 3.07Å; P35-M55 HydrophobicContact CB-CG 4.21Å; P35-C57 HydrophobicContact CB-CB 4.29Å; P35-C57 HydrophobicContact CG-CB 4.14Å
36A92.7Very high91.1Very high0 Ų045.5 Ų45.50%024%0.242CC..  trans-93.555-170.500000113T34 V39 G173 Y174 S175T34-A36 VanDerWaalsContact C-N 3.34Å; T34-A36 PolarHBondContact O-N 3.46Å; A36-V39 HydrophobicContact CB-CG1 4.15Å; A36-G173 CarbonylContact O-C 3.53Å; A36-G173 WeakPolarHBondContact O-CA 2.92Å; A36-Y174 HydrophobicContact CB-CD1 3.38Å; A36-Y174 HydrophobicContact CB-CE1 3.04Å; A36-Y174 HydrophobicContact CB-CE2 4.24Å; A36-Y174 HydrophobicContact CB-CG 4.11Å; A36-Y174 PolarHBondContact O-N 3.36Å; A36-Y174 VanDerWaalsContact O-N 3.17Å; A36-S175 VanDerWaalsContact C-CB 3.48Å; A36-S175 WeakPolarHBondContact CA-OG 3.18Å; A36-S175 WeakPolarHBondContact CB-OG 2.88Å; A36-S175 PolarHBondContact N-OG 3.41Å; A36-S175 VanDerWaalsContact N-OG 3.12Å; A36-S175 VanDerWaalsContact O-CB 3.27Å; A36-S175 WeakPolarHBondContact O-CB 2.97Å; A36-S175 PolarHBondContact O-N 3.01Å; A36-S175 PolarHBondContact O-OG 3.14Å
37W94Very high90.4Very high0 Ų042.9 Ų42.90%022%0.223CC..SBendtrans-85.2-45.3174.5-79.774.6000112G31 P35 H51 L53 T100 L104 F149 G173 F176 A179G31-W37 PolarHBondContact O-NE1 2.89Å; P35-W37 VanDerWaalsContact C-N 3.35Å; P35-W37 PolarHBondContact O-N 3.36Å; P35-W37 VanDerWaalsContact O-N 3.14Å; W37-H51 VanDerWaalsContact CB-O 3.3Å; W37-H51 WeakPolarHBondContact CB-O 3.39Å; W37-H51 PolarHBondContact N-O 3.48Å; W37-H51 VanDerWaalsContact N-O 3.16Å; W37-L53 HydrophobicContact CB-CD1 4.01Å; W37-L53 VanDerWaalsContact CD1-CD1 3.47Å; W37-L53 HydrophobicContact CD2-CD1 3.11Å; W37-L53 HydrophobicContact CD2-CG 4.45Å; W37-L53 HydrophobicContact CE3-CD1 3.63Å; W37-L53 HydrophobicContact CG-CD1 3.26Å; W37-L53 HydrophobicContact CH2-CD1 4.3Å; W37-L53 HydrophobicContact CH2-CD2 4.25Å; W37-L53 HydrophobicContact CZ2-CD1 3.86Å; W37-L53 HydrophobicContact CZ2-CD2 3.85Å; W37-L53 HydrophobicContact CZ3-CD1 4.19Å; W37-T100 HydrophobicContact CZ3-CG2 4.42Å; W37-L104 HydrophobicContact CH2-CD1 3.42Å; W37-L104 VanDerWaalsContact CH2-CD1 3.42Å; W37-L104 HydrophobicContact CZ2-CD1 3.7Å; W37-F149 HydrophobicContact CB-CE1 4.37Å; W37-F149 HydrophobicContact CB-CE2 4.23Å; W37-F149 HydrophobicContact CB-CZ 3.72Å; W37-F149 HydrophobicContact CD2-CZ 4.46Å; W37-F149 AromaticContact CE3-CD1 3.76Å; W37-F149 HydrophobicContact CE3-CD1 3.76Å; W37-F149 AromaticContact CE3-CD2 3.95Å; W37-F149 HydrophobicContact CE3-CD2 3.95Å; W37-F149 AromaticContact CE3-CE1 3.73Å; W37-F149 HydrophobicContact CE3-CE1 3.73Å; W37-F149 AromaticContact CE3-CE2 3.92Å; W37-F149 HydrophobicContact CE3-CE2 3.92Å; W37-F149 AromaticContact CE3-CG 3.87Å; W37-F149 HydrophobicContact CE3-CG 3.87Å; W37-F149 AromaticContact CE3-CZ 3.81Å; W37-F149 HydrophobicContact CE3-CZ 3.81Å; W37-F149 HydrophobicContact CG-CZ 4.49Å; W37-F149 HydrophobicContact CZ3-CB 4.38Å; W37-F149 HydrophobicContact CZ3-CD1 4.07Å; W37-F149 HydrophobicContact CZ3-CD2 4.3Å; W37-F149 HydrophobicContact CZ3-CE1 4.48Å; W37-F149 AromaticContact CZ3-CG 3.97Å; W37-F149 HydrophobicContact CZ3-CG 3.97Å; W37-G173 PolarHBondContact O-N 3.44Å; W37-F176 HydrophobicContact CD2-CB 4.38Å; W37-F176 HydrophobicContact CE3-CB 3.86Å; W37-F176 AromaticContact CE3-CD2 3.93Å; W37-F176 HydrophobicContact CE3-CD2 3.93Å; W37-F176 HydrophobicContact CE3-CG 4.42Å; W37-F176 HydrophobicContact CZ3-CB 4.27Å; W37-F176 AromaticContact CZ3-CD2 3.78Å; W37-F176 HydrophobicContact CZ3-CD2 3.78Å; W37-F176 HydrophobicContact CZ3-CG 4.49Å; W37-A179 HydrophobicContact CH2-CB 3.36Å; W37-A179 HydrophobicContact CZ2-CB 3.8Å; W37-A179 HydrophobicContact CZ3-CB 4.24Å
38Q92.2Very high89.9Confident13 Ų1344.8 Ų44.86%0.06123%0.228CC..EExtended strand (participates in β ladder)trans-122.8140.6165-81.9169.2-50.700108.9H51 F149 S153 K171Q38-H51 HydrophobicContact CB-CB 4.08Å; Q38-H51 PolarHBondContact N-O 3.32Å; Q38-H51 PolarHBondContact O-N 2.86Å; Q38-F149 HydrophobicContact CG-CE1 4.39Å; Q38-F149 HydrophobicContact CG-CZ 3.96Å; Q38-S153 VanDerWaalsContact NE2-CB 3.29Å; Q38-K171 CarbonylContact C-O 3.58Å; Q38-K171 VanDerWaalsContact CA-O 3.3Å; Q38-K171 WeakPolarHBondContact CA-O 3.11Å
39V92.5Very high89.5Confident18 Ų1847.9 Ų47.911%0.10924%0.239CC..EExtended strand (participates in β ladder)trans-130.9138.9-177.6-57.90000109.4A36 Y48 R49 E50 K171A36-V39 HydrophobicContact CB-CG1 4.15Å; V39-Y48 HydrophobicContact CB-CE2 4.14Å; V39-Y48 VanDerWaalsContact CB-OH 3.25Å; V39-Y48 WeakPolarHBondContact CB-OH 3.24Å; V39-Y48 WeakPolarHBondContact CG1-OH 3.39Å; V39-R49 WeakPolarHBondContact CA-O 3.3Å; V39-E50 HydrophobicContact CG1-CB 4.42Å; V39-E50 HydrophobicContact CG1-CG 3.94Å; V39-K171 HydrophobicContact CG2-CB 4.15Å; V39-K171 PolarHBondContact N-O 3.41Å; V39-K171 PolarHBondContact O-N 3.17Å
40V89.6Confident89.2Confident1 Ų145 Ų451%0.00622%0.224CC..EExtended strand (participates in β ladder)trans-137.313317963.90000109.6V42 R49 L161 Q170V40-V42 HydrophobicContact CG2-CG2 4.33Å; V40-R49 HydrophobicContact CG1-CB 3.75Å; V40-R49 HydrophobicContact CG1-CG 4.37Å; V40-R49 PolarHBondContact N-O 3.46Å; V40-R49 PolarHBondContact O-N 2.88Å; V40-L161 HydrophobicContact CG1-CD2 4.19Å; V40-L161 HydrophobicContact CG2-CD2 4.31Å; V40-Q170 HydrophobicContact CB-CG 4.19Å; V40-Q170 HydrophobicContact CG2-CG 4.38Å
41N88.8Confident88.9Confident89 Ų8943.8 Ų43.848%0.47621%0.212SC..EExtended strand (participates in β ladder)trans-107.8107.2175.4-171.91.6000109.1T43 Y48 Y168N41-T43 PolarHBondContact O-N 2.92Å; N41-Y48 HydrophobicContact CB-CD2 3.97Å; N41-Y168 WeakPolarHBondContact O-CD1 3.43Å
42V85.7Confident88.6Confident6 Ų643.9 Ų43.94%0.03621%0.213CC..EExtended strand (participates in β ladder)trans-90.492178.6-175.60000108.2V40 Q44 L45 R46 I47 Y168V40-V42 HydrophobicContact CG2-CG2 4.33Å; V42-Q44 PolarHBondContact O-N 2.93Å; V42-L45 HydrophobicContact CG1-CB 4.02Å; V42-L45 HydrophobicContact CG1-CD1 4.04Å; V42-L45 HydrophobicContact CG1-CG 4.02Å; V42-L45 PolarHBondContact O-N 3.44Å; V42-R46 WeakPolarHBondContact O-CA 3.44Å; V42-R46 PolarHBondContact O-N 3.45Å; V42-I47 PolarHBondContact N-O 3.3Å; V42-I47 PolarHBondContact O-N 3.45Å; V42-I47 VanDerWaalsContact O-N 3.12Å; V42-Y168 HydrophobicContact CB-CE2 4.42Å; V42-Y168 HydrophobicContact CG1-CD2 4.13Å; V42-Y168 HydrophobicContact CG1-CE1 4.41Å; V42-Y168 HydrophobicContact CG1-CE2 3.62Å; V42-Y168 HydrophobicContact CG2-CD2 4.36Å; V42-Y168 HydrophobicContact CG2-CG 4.42Å
43T82.3Confident88.4Confident81 Ų8143.5 Ų43.550%0.49721%0.211SC..THydrogen-bonded Turntrans-64.8-34.7-172.152.10000113.4N41 L45 R46 Y168N41-T43 PolarHBondContact O-N 2.92Å; T43-L45 VanDerWaalsContact C-N 3.34Å; T43-L45 PolarHBondContact O-N 3.14Å; T43-R46 PolarHBondContact O-N 3.33Å; T43-Y168 WeakPolarHBondContact OG1-CE1 3.37Å; T43-Y168 PolarHBondContact OG1-OH 3.41Å
44Q82.6Confident88.2Confident119 Ų11944.2 Ų44.256%0.55621%0.205SC*.THydrogen-bonded Turntrans-62-40.9177.8-73.7-72-13.400112.4V42 E166 Y168V42-Q44 PolarHBondContact O-N 2.93Å; Q44-E166 HydrophobicContact CG-CG 4.42Å; Q44-E166 WeakPolarHBondContact CG-OE2 3.47Å; Q44-E166 PolarHBondContact NE2-OE1 2.7Å; Q44-Y168 VanDerWaalsContact CB-OH 3.29Å; Q44-Y168 WeakPolarHBondContact CB-OH 3.42Å; Q44-Y168 WeakPolarHBondContact CG-OH 3.31Å; Q44-Y168 PolarHBondContact N-OH 3.22Å; Q44-Y168 VanDerWaalsContact N-OH 3.1Å
45L77.5Confident87.9Confident63 Ų6344.8 Ų44.833%0.3321%0.205SC..THydrogen-bonded Turntrans-89-9.3177.5-61.8177.4000112.6V42 T43 I47 L164V42-L45 HydrophobicContact CG1-CB 4.02Å; V42-L45 HydrophobicContact CG1-CD1 4.04Å; V42-L45 HydrophobicContact CG1-CG 4.02Å; V42-L45 PolarHBondContact O-N 3.44Å; T43-L45 VanDerWaalsContact C-N 3.34Å; T43-L45 PolarHBondContact O-N 3.14Å; L45-I47 HydrophobicContact CB-CB 4.28Å; L45-I47 HydrophobicContact CB-CD1 3.69Å; L45-I47 HydrophobicContact CB-CG1 3.9Å; L45-I47 HydrophobicContact CD1-CD1 4.16Å; L45-I47 WeakPolarHBondContact O-CG1 3.42Å; L45-I47 PolarHBondContact O-N 2.9Å; L45-L164 HydrophobicContact CD2-CD1 4.39Å
46R81.8Confident87.7Confident192 Ų19244.6 Ų44.673%0.72520%0.204SC*.THydrogen-bonded Turntrans50.745.8-169.6-60.7-179.4-179.1-157.70.6111.6V42 T43 T61V42-R46 WeakPolarHBondContact O-CA 3.44Å; V42-R46 PolarHBondContact O-N 3.45Å; T43-R46 PolarHBondContact O-N 3.33Å; R46-T61 HydrophobicContact CB-CG2 3.46Å; R46-T61 VanDerWaalsContact CB-CG2 3.46Å; R46-T61 HydrophobicContact CG-CG2 4.34Å
47I84.5Confident87.5Confident4 Ų444.7 Ų44.72%0.02120%0.204CC..EExtended strand (participates in β ladder)trans-119132.4179.5-65.9170.5000108.8V42 L45 V58 Y59 Y64V42-I47 PolarHBondContact N-O 3.3Å; V42-I47 PolarHBondContact O-N 3.45Å; V42-I47 VanDerWaalsContact O-N 3.12Å; L45-I47 HydrophobicContact CB-CB 4.28Å; L45-I47 HydrophobicContact CB-CD1 3.69Å; L45-I47 HydrophobicContact CB-CG1 3.9Å; L45-I47 HydrophobicContact CD1-CD1 4.16Å; L45-I47 WeakPolarHBondContact O-CG1 3.42Å; L45-I47 PolarHBondContact O-N 2.9Å; I47-V58 HydrophobicContact CG2-CG1 3.29Å; I47-Y59 CarbonylContact C-O 3.52Å; I47-Y59 WeakPolarHBondContact CA-O 3.45Å; I47-Y59 WeakPolarHBondContact CG2-O 3.5Å; I47-Y64 HydrophobicContact CD1-CD1 4.33Å; I47-Y64 HydrophobicContact CD1-CD2 3.97Å; I47-Y64 HydrophobicContact CD1-CE1 3.94Å; I47-Y64 HydrophobicContact CD1-CE2 3.55Å; I47-Y64 HydrophobicContact CD1-CG 4.34Å; I47-Y64 HydrophobicContact CG1-CD2 4.25Å; I47-Y64 HydrophobicContact CG1-CE2 4.22Å
48Y87.9Confident87.2Confident83 Ų8345.4 Ų45.433%0.32521%0.209SC..EExtended strand (participates in β ladder)trans-106.2124.5170.7-175.9-103.3000109V39 N41 E50 Y59V39-Y48 HydrophobicContact CB-CE2 4.14Å; V39-Y48 VanDerWaalsContact CB-OH 3.25Å; V39-Y48 WeakPolarHBondContact CB-OH 3.24Å; V39-Y48 WeakPolarHBondContact CG1-OH 3.39Å; N41-Y48 HydrophobicContact CB-CD2 3.97Å; Y48-E50 HydrophobicContact CD1-CG 4Å; Y48-E50 HydrophobicContact CE1-CG 3.43Å; Y48-E50 VanDerWaalsContact CE1-CG 3.43Å; Y48-E50 VanDerWaalsContact CE1-OE1 3.3Å; Y48-E50 WeakPolarHBondContact CE1-OE1 3.36Å; Y48-Y59 AromaticContact CD1-CD2 3.84Å; Y48-Y59 HydrophobicContact CD1-CD2 3.84Å; Y48-Y59 PolarHBondContact N-O 3.45Å; Y48-Y59 PolarHBondContact O-N 3.25Å
49R87.7Confident86.8Confident65 Ų6550.1 Ų50.125%0.24523%0.227CC..EExtended strand (participates in β ladder)trans-120.5129.5-175.8-179.4-176.8-57.6-89.50.5109.3V39 V40 H51 C57 V58V39-R49 WeakPolarHBondContact CA-O 3.3Å; V40-R49 HydrophobicContact CG1-CB 3.75Å; V40-R49 HydrophobicContact CG1-CG 4.37Å; V40-R49 PolarHBondContact N-O 3.46Å; V40-R49 PolarHBondContact O-N 2.88Å; R49-H51 WeakPolarHBondContact CD-CE1 3.24Å; R49-H51 WeakPolarHBondContact CD-NE2 3.29Å; R49-C57 WeakPolarHBondContact CA-O 3.43Å; R49-V58 HydrophobicContact CG-CG2 4.23Å
50E90.9Very high86.1Confident15 Ų1550.4 Ų50.47%0.0723%0.233CC..EExtended strand (participates in β ladder)trans-111.4129.3175.7-58.8-163.7141.600109.3P35 V39 Y48 D56 C57 Y59P35-E50 HydrophobicContact CB-CB 4.34Å; P35-E50 HydrophobicContact CG-CB 4.47Å; P35-E50 CarbonylContact O-C 3.53Å; V39-E50 HydrophobicContact CG1-CB 4.42Å; V39-E50 HydrophobicContact CG1-CG 3.94Å; Y48-E50 HydrophobicContact CD1-CG 4Å; Y48-E50 HydrophobicContact CE1-CG 3.43Å; Y48-E50 VanDerWaalsContact CE1-CG 3.43Å; Y48-E50 VanDerWaalsContact CE1-OE1 3.3Å; Y48-E50 WeakPolarHBondContact CE1-OE1 3.36Å; E50-D56 CarbonylContact O-C 3.03Å; E50-D56 WeakPolarHBondContact O-CA 3.35Å; E50-C57 PolarHBondContact N-O 3.48Å; E50-C57 PolarHBondContact O-N 3.36Å; E50-Y59 HydrophobicContact CG-CD2 4.39Å; E50-Y59 HydrophobicContact CG-CE2 3.9Å
51H89.2Confident85.1Confident31 Ų3152.7 Ų52.714%0.14425%0.247CC..EExtended strand (participates in β ladder)trans-109.1111.2179.7-69.8-63.8000109.7P35 W37 Q38 R49 D56P35-H51 CarbonylContact O-C 3.59Å; P35-H51 PolarHBondContact O-N 3.1Å; W37-H51 VanDerWaalsContact CB-O 3.3Å; W37-H51 WeakPolarHBondContact CB-O 3.39Å; W37-H51 PolarHBondContact N-O 3.48Å; W37-H51 VanDerWaalsContact N-O 3.16Å; Q38-H51 HydrophobicContact CB-CB 4.08Å; Q38-H51 PolarHBondContact N-O 3.32Å; Q38-H51 PolarHBondContact O-N 2.86Å; R49-H51 WeakPolarHBondContact CD-CE1 3.24Å; R49-H51 WeakPolarHBondContact CD-NE2 3.29Å; H51-D56 VanDerWaalsContact CA-OD1 3.31Å; H51-D56 WeakPolarHBondContact CA-OD1 2.98Å; H51-D56 IonicContact CE1-OD1 3.96Å; H51-D56 IonicContact CG-OD1 3.65Å; H51-D56 IonicContact ND1-OD1 2.87Å; H51-D56 PolarHBondContact ND1-OD1 3.27Å; H51-D56 IonicContact ND1-OD2 3.97Å
52G90.4Very high83.9Confident3 Ų356.4 Ų56.43%0.03126%0.262CS..  trans-95.4-178.1176.100000112P35 M55 K79P35-G52 VanDerWaalsContact O-CA 3.31Å; P35-G52 WeakPolarHBondContact O-CA 3.3Å; P35-G52 PolarHBondContact O-N 3.07Å; G52-M55 WeakPolarHBondContact CA-O 3.47Å; G52-M55 PolarHBondContact N-O 3.49Å; G52-K79 WeakPolarHBondContact O-CE 3.44Å; G52-K79 PolarHBondContact O-NZ 2.98Å
53L89.4Confident82.9Confident4 Ų463.6 Ų63.62%0.02130%0.295CS..SBendtrans-71.6-32.7177.6-90.954.5000112.7W37 T100 L101 L104 F149W37-L53 HydrophobicContact CB-CD1 4.01Å; W37-L53 VanDerWaalsContact CD1-CD1 3.47Å; W37-L53 HydrophobicContact CD2-CD1 3.11Å; W37-L53 HydrophobicContact CD2-CG 4.45Å; W37-L53 HydrophobicContact CE3-CD1 3.63Å; W37-L53 HydrophobicContact CG-CD1 3.26Å; W37-L53 HydrophobicContact CH2-CD1 4.3Å; W37-L53 HydrophobicContact CH2-CD2 4.25Å; W37-L53 HydrophobicContact CZ2-CD1 3.86Å; W37-L53 HydrophobicContact CZ2-CD2 3.85Å; W37-L53 HydrophobicContact CZ3-CD1 4.19Å; L53-T100 HydrophobicContact CD2-CG2 3.94Å; L53-T100 HydrophobicContact CG-CG2 4.46Å; L53-L101 HydrophobicContact CB-CB 4.18Å; L53-L101 HydrophobicContact CB-CD1 4.01Å; L53-L101 HydrophobicContact CD2-CB 4.1Å; L53-L101 HydrophobicContact CD2-CD1 4.18Å; L53-L101 HydrophobicContact CG-CB 4.4Å; L53-L104 HydrophobicContact CD2-CD1 3.86Å; L53-F149 HydrophobicContact CD1-CE2 4.31Å
54W88.5Confident82.1Confident97 Ų9764.1 Ų64.137%0.36729%0.289SS..SBendtrans-133-13.6-174.462.2-61.7000113.4V32 L78 K79 L101V32-W54 PolarHBondContact O-NE1 2.96Å; W54-L78 HydrophobicContact CD2-CD1 4.3Å; W54-L78 HydrophobicContact CE3-CD1 3.44Å; W54-L78 VanDerWaalsContact CE3-CD1 3.44Å; W54-L78 HydrophobicContact CZ3-CD1 3.98Å; W54-L78 WeakPolarHBondContact O-CD1 3.3Å; W54-K79 WeakPolarHBondContact O-CB 3.48Å; W54-K79 PolarHBondContact O-N 3.49Å; W54-L101 HydrophobicContact CB-CD2 3.89Å
55M87.2Confident81.3Confident44 Ų4462.3 Ų62.322%0.21728%0.283CS..EExtended strand (participates in β ladder)trans-136.6148.517754.4171.849.600111P35 G52 S77P35-M55 HydrophobicContact CB-CG 4.21Å; G52-M55 WeakPolarHBondContact CA-O 3.47Å; G52-M55 PolarHBondContact N-O 3.49Å; M55-S77 WeakPolarHBondContact CA-O 3.32Å
56D87.4Confident80.6Confident8 Ų862.6 Ų62.64%0.04329%0.29CS..EExtended strand (participates in β ladder)trans-117137171.7-61.8-48.4000108.9E50 H51 C76 S77 K79 R82E50-D56 CarbonylContact O-C 3.03Å; E50-D56 WeakPolarHBondContact O-CA 3.35Å; H51-D56 VanDerWaalsContact CA-OD1 3.31Å; H51-D56 WeakPolarHBondContact CA-OD1 2.98Å; H51-D56 IonicContact CE1-OD1 3.96Å; H51-D56 IonicContact CG-OD1 3.65Å; H51-D56 IonicContact ND1-OD1 2.87Å; H51-D56 PolarHBondContact ND1-OD1 3.27Å; H51-D56 IonicContact ND1-OD2 3.97Å; D56-C76 CarbonylContact O-C 2.83Å; D56-C76 VanDerWaalsContact O-CA 3.3Å; D56-C76 WeakPolarHBondContact O-CA 2.96Å; D56-S77 PolarHBondContact N-O 3.42Å; D56-S77 PolarHBondContact O-N 2.92Å; D56-K79 WeakPolarHBondContact OD1-CE 3.15Å; D56-K79 IonicContact OD1-NZ 3.51Å; D56-K79 VanDerWaalsContact OD2-CE 3.31Å; D56-K79 WeakPolarHBondContact OD2-CE 3.33Å; D56-R82 IonicContact OD2-NH1 2.9Å; D56-R82 PolarHBondContact OD2-NH1 3.21Å
57C88.6Confident80Confident2 Ų258.9 Ų58.91%0.01428%0.279CS..EExtended strand (participates in β ladder)trans-118.6145.6176.3-64.30000111P35 R49 E50 Y59 A75 C76P35-C57 HydrophobicContact CB-CB 4.29Å; P35-C57 HydrophobicContact CG-CB 4.14Å; R49-C57 WeakPolarHBondContact CA-O 3.43Å; E50-C57 PolarHBondContact N-O 3.48Å; E50-C57 PolarHBondContact O-N 3.36Å; C57-Y59 HydrophobicContact CB-CE2 3.86Å; C57-A75 CarbonylContact C-O 2.96Å; C57-A75 WeakPolarHBondContact CA-O 3.41Å; C57-C76 HydrophobicContact CB-CB 4.18Å; C57-C76 WeakPolarHBondContact CB-SG 3.01Å; C57-C76 WeakPolarHBondContact SG-CB 3.37Å; C57-C76 CovalentContact SG-SG 2.04Å; C57-C76 PolarHBondContact SG-SG 2.86Å
58V85.8Confident79.1Confident16 Ų1659.9 Ų59.910%0.09728%0.284CS..EExtended strand (participates in β ladder)trans-128.1129.5-179.3-172.50000108.6I47 R49 A75I47-V58 HydrophobicContact CG2-CG1 3.29Å; R49-V58 HydrophobicContact CG-CG2 4.23Å; V58-A75 PolarHBondContact N-O 2.98Å
59Y84.4Confident78Confident111 Ų11166.5 Ų66.544%0.43531%0.309SS..EExtended strand (participates in β ladder)trans-121.5137.4177.8-52.7-85.3000107.7I47 Y48 E50 C57I47-Y59 CarbonylContact C-O 3.52Å; I47-Y59 WeakPolarHBondContact CA-O 3.45Å; I47-Y59 WeakPolarHBondContact CG2-O 3.5Å; Y48-Y59 AromaticContact CD1-CD2 3.84Å; Y48-Y59 HydrophobicContact CD1-CD2 3.84Å; Y48-Y59 PolarHBondContact N-O 3.45Å; Y48-Y59 PolarHBondContact O-N 3.25Å; E50-Y59 HydrophobicContact CG-CD2 4.39Å; E50-Y59 HydrophobicContact CG-CE2 3.9Å; C57-Y59 HydrophobicContact CB-CE2 3.86Å
60G77.2Confident77Confident24 Ų2467.5 Ų67.525%0.24733%0.326CS..  trans-162-169.6-173.500000114.3
61T69.5Low75.9Confident49 Ų4969.4 Ų69.430%0.30134%0.34SS..  trans-65.2165.9179.360.90000113.1R46 Q63 Y64 D65R46-T61 HydrophobicContact CB-CG2 3.46Å; R46-T61 VanDerWaalsContact CB-CG2 3.46Å; R46-T61 HydrophobicContact CG-CG2 4.34Å; T61-Q63 PolarHBondContact O-N 3.45Å; T61-Y64 WeakPolarHBondContact O-CA 3.32Å; T61-Y64 PolarHBondContact O-N 2.9Å; T61-D65 PolarHBondContact O-N 3.46Å
62E63.1Low74.5Confident167 Ų16772.8 Ų72.878%0.7837%0.365SS*.Hα-helixtrans-48-33.8177.3-64.3-172.116600114.8D65 S66E62-D65 CarbonylContact O-C 3.57Å; E62-D65 PolarHBondContact O-N 3.14Å; E62-S66 WeakPolarHBondContact O-CB 3.23Å; E62-S66 PolarHBondContact O-N 2.97Å
63Q65.2Low73.3Confident157 Ų15775.7 Ų75.773%0.73440%0.395SS*.Hα-helixtrans-66.3-41177.6-173169.8-7.400111.8T61 S66 F67T61-Q63 PolarHBondContact O-N 3.45Å; Q63-S66 PolarHBondContact O-N 3.2Å; Q63-S66 PolarHBondContact O-OG 3.02Å; Q63-F67 PolarHBondContact O-N 3.46Å
64Y64.4Low72.2Confident92 Ų9277.1 Ų77.136%0.36141%0.408SS..Hα-helixtrans-73-36.3171.5-76.9-86.8000111.1I47 T61 S66 F67 H68I47-Y64 HydrophobicContact CD1-CD1 4.33Å; I47-Y64 HydrophobicContact CD1-CD2 3.97Å; I47-Y64 HydrophobicContact CD1-CE1 3.94Å; I47-Y64 HydrophobicContact CD1-CE2 3.55Å; I47-Y64 HydrophobicContact CD1-CG 4.34Å; I47-Y64 HydrophobicContact CG1-CD2 4.25Å; I47-Y64 HydrophobicContact CG1-CE2 4.22Å; T61-Y64 WeakPolarHBondContact O-CA 3.32Å; T61-Y64 PolarHBondContact O-N 2.9Å; Y64-S66 PolarHBondContact O-N 3.2Å; Y64-F67 CarbonylContact O-C 3.49Å; Y64-F67 WeakPolarHBondContact O-CA 3.21Å; Y64-F67 WeakPolarHBondContact O-CB 3.38Å; Y64-F67 PolarHBondContact O-N 2.9Å; Y64-F67 VanDerWaalsContact O-N 3.08Å; Y64-H68 PolarHBondContact O-CD2 2.82Å; Y64-H68 VanDerWaalsContact O-CG 3.3Å; Y64-H68 PolarHBondContact O-N 3.39Å
65D66.4Low71.6Confident81 Ų8174.1 Ų74.143%0.43340%0.403SS..Hα-helixtrans-61.6-34.5173-66.2-22.9000111.9T61 E62 F67 H68 R69T61-D65 PolarHBondContact O-N 3.46Å; E62-D65 CarbonylContact O-C 3.57Å; E62-D65 PolarHBondContact O-N 3.14Å; D65-F67 VanDerWaalsContact C-N 3.34Å; D65-H68 CarbonylContact O-C 3.55Å; D65-H68 PolarHBondContact O-N 3.28Å; D65-R69 WeakPolarHBondContact O-CB 3.33Å; D65-R69 PolarHBondContact O-N 3.44Å
66S63.7Low71.5Confident69 Ų6974.7 Ų74.748%0.48341%0.411SS..Hα-helixtrans-67.6-36.7174.781.20000111.6E62 Q63 Y64 R69 S70E62-S66 WeakPolarHBondContact O-CB 3.23Å; E62-S66 PolarHBondContact O-N 2.97Å; Q63-S66 PolarHBondContact O-N 3.2Å; Q63-S66 PolarHBondContact O-OG 3.02Å; Y64-S66 PolarHBondContact O-N 3.2Å; S66-R69 PolarHBondContact O-N 3.32Å; S66-S70 PolarHBondContact O-N 2.98Å; S66-S70 PolarHBondContact O-OG 3.37Å
67F68Low71.2Confident114 Ų11475.5 Ų75.550%0.542%0.417SS..Hα-helixtrans-68.6-40171.7-178.9-96.8000111.8Q63 Y64 D65 R69 S70 S71 A74Q63-F67 PolarHBondContact O-N 3.46Å; Y64-F67 CarbonylContact O-C 3.49Å; Y64-F67 WeakPolarHBondContact O-CA 3.21Å; Y64-F67 WeakPolarHBondContact O-CB 3.38Å; Y64-F67 PolarHBondContact O-N 2.9Å; Y64-F67 VanDerWaalsContact O-N 3.08Å; D65-F67 VanDerWaalsContact C-N 3.34Å; F67-R69 VanDerWaalsContact C-N 3.33Å; F67-S70 WeakPolarHBondContact CA-OG 3.4Å; F67-S70 PolarHBondContact O-N 3.33Å; F67-S70 PolarHBondContact O-OG 3.46Å; F67-S71 PolarHBondContact O-N 2.97Å; F67-A74 HydrophobicContact CD1-CB 4.34Å; F67-A74 HydrophobicContact CE1-CB 3.87Å
68H65.8Low71Confident26 Ų2678 Ų7812%0.1243%0.43CS..Hα-helixtrans-69.6-30.4173.1-65-52.9000111.9Y64 D65 S71 P72 A74 A75Y64-H68 PolarHBondContact O-CD2 2.82Å; Y64-H68 VanDerWaalsContact O-CG 3.3Å; Y64-H68 PolarHBondContact O-N 3.39Å; D65-H68 CarbonylContact O-C 3.55Å; D65-H68 PolarHBondContact O-N 3.28Å; H68-S71 CarbonylContact O-C 3.53Å; H68-S71 PolarHBondContact O-N 3.45Å; H68-S71 VanDerWaalsContact O-O 3.04Å; H68-P72 WeakPolarHBondContact O-CA 3.42Å; H68-A74 PolarHBondContact CE1-O 3.15Å; H68-A74 VanDerWaalsContact ND1-C 3.28Å; H68-A74 PolarHBondContact ND1-O 3.15Å; H68-A75 WeakPolarHBondContact ND1-CA 3.39Å; H68-A75 PolarHBondContact ND1-N 3.23Å
69R65Low70.7Confident222 Ų22278.3 Ų78.384%0.83843%0.43SS*.Hα-helixtrans-73.3-36.3174.7-175.5177.7-93.1161.7-6.2111.3D65 S66 F67D65-R69 WeakPolarHBondContact O-CB 3.33Å; D65-R69 PolarHBondContact O-N 3.44Å; S66-R69 PolarHBondContact O-N 3.32Å; F67-R69 VanDerWaalsContact C-N 3.33Å
70S68Low69.9Low86 Ų8679.2 Ų79.260%0.60144%0.442SS*.Hα-helixtrans-75.4-27.7173.265.30000112.6S66 F67S66-S70 PolarHBondContact O-N 2.98Å; S66-S70 PolarHBondContact O-OG 3.37Å; F67-S70 WeakPolarHBondContact CA-OG 3.4Å; F67-S70 PolarHBondContact O-N 3.33Å; F67-S70 PolarHBondContact O-OG 3.46Å
71S67.3Low69.3Low54 Ų5484.4 Ų84.438%0.37846%0.46SS..SBendtrans-131.282.7173.6-67.40000111.1F67 H68 G73 A74F67-S71 PolarHBondContact O-N 2.97Å; H68-S71 CarbonylContact O-C 3.53Å; H68-S71 PolarHBondContact O-N 3.45Å; H68-S71 VanDerWaalsContact O-O 3.04Å; S71-G73 PolarHBondContact O-N 3.22Å; S71-G73 VanDerWaalsContact O-N 3.1Å; S71-A74 WeakPolarHBondContact O-CB 3.25Å; S71-A74 PolarHBondContact O-N 3.45Å
72P59.8Low68.8Low102 Ų10287.7 Ų87.766%0.66247%0.467SS*.G310 helixtrans-53.9-34.1-175.5-27.234.2000114.3H68 A74H68-P72 WeakPolarHBondContact O-CA 3.42Å; P72-A74 PolarHBondContact O-N 3.41Å
73G64Low68.4Low65 Ų6583.3 Ų83.367%0.6746%0.455SS*.G310 helixtrans-71.3-5.417700000114.8S71 C76S71-G73 PolarHBondContact O-N 3.22Å; S71-G73 VanDerWaalsContact O-N 3.1Å; G73-C76 VanDerWaalsContact O-O 3.13Å
74A66.6Low67.8Low34 Ų3484.2 Ų84.228%0.28146%0.458SS..G310 helixtrans-86-12-176.600000113.9F67 H68 S71 P72F67-A74 HydrophobicContact CD1-CB 4.34Å; F67-A74 HydrophobicContact CE1-CB 3.87Å; H68-A74 PolarHBondContact CE1-O 3.15Å; H68-A74 VanDerWaalsContact ND1-C 3.28Å; H68-A74 PolarHBondContact ND1-O 3.15Å; S71-A74 WeakPolarHBondContact O-CB 3.25Å; S71-A74 PolarHBondContact O-N 3.45Å; P72-A74 PolarHBondContact O-N 3.41Å
75A77Confident67.2Low33 Ų3389.4 Ų89.427%0.27348%0.483SS..SBendtrans-67.8-44.1-179.500000111.6C57 V58 H68C57-A75 CarbonylContact C-O 2.96Å; C57-A75 WeakPolarHBondContact CA-O 3.41Å; V58-A75 PolarHBondContact N-O 2.98Å; H68-A75 WeakPolarHBondContact ND1-CA 3.39Å; H68-A75 PolarHBondContact ND1-N 3.23Å
76C84.2Confident66.5Low56 Ų5687.3 Ų87.338%0.37848%0.48SS..EExtended strand (participates in β ladder)trans-125.3122.6174.2-65.30000109.5D56 C57 G73D56-C76 CarbonylContact O-C 2.83Å; D56-C76 VanDerWaalsContact O-CA 3.3Å; D56-C76 WeakPolarHBondContact O-CA 2.96Å; C57-C76 HydrophobicContact CB-CB 4.18Å; C57-C76 WeakPolarHBondContact CB-SG 3.01Å; C57-C76 WeakPolarHBondContact SG-CB 3.37Å; C57-C76 CovalentContact SG-SG 2.04Å; C57-C76 PolarHBondContact SG-SG 2.86Å; G73-C76 VanDerWaalsContact O-O 3.13Å
77S82.2Confident65.9Low25 Ų2590.9 Ų90.918%0.17549%0.494CS..EExtended strand (participates in β ladder)trans-110.7135.9179.858.90000110.6M55 D56 R82M55-S77 WeakPolarHBondContact CA-O 3.32Å; D56-S77 PolarHBondContact N-O 3.42Å; D56-S77 PolarHBondContact O-N 2.92Å; S77-R82 PolarHBondContact OG-NH1 3.45Å
78L83Confident64.8Low54 Ų5494.3 Ų94.328%0.28351%0.511SS..EExtended strand (participates in β ladder)trans-72.4134.5173.4-172.372.8000110W54 L80 E81W54-L78 HydrophobicContact CD2-CD1 4.3Å; W54-L78 HydrophobicContact CE3-CD1 3.44Å; W54-L78 VanDerWaalsContact CE3-CD1 3.44Å; W54-L78 HydrophobicContact CZ3-CD1 3.98Å; W54-L78 WeakPolarHBondContact O-CD1 3.3Å; L78-L80 HydrophobicContact CD2-CB 3.78Å; L78-L80 HydrophobicContact CD2-CD2 4.41Å; L78-L80 HydrophobicContact CG-CB 4.01Å; L78-L80 PolarHBondContact O-N 3.37Å; L78-E81 HydrophobicContact CB-CG 4.28Å; L78-E81 PolarHBondContact O-N 3.04Å
79K79.3Confident64Low24 Ų2498.6 Ų98.610%0.10454%0.539CS..Hα-helixtrans-62-32.6179.1-77-173.9172.51760112.8G52 W54 D56 E81 R82 S83 Q97G52-K79 WeakPolarHBondContact O-CE 3.44Å; G52-K79 PolarHBondContact O-NZ 2.98Å; W54-K79 WeakPolarHBondContact O-CB 3.48Å; W54-K79 PolarHBondContact O-N 3.49Å; D56-K79 WeakPolarHBondContact OD1-CE 3.15Å; D56-K79 IonicContact OD1-NZ 3.51Å; D56-K79 VanDerWaalsContact OD2-CE 3.31Å; D56-K79 WeakPolarHBondContact OD2-CE 3.33Å; K79-E81 VanDerWaalsContact C-N 3.3Å; K79-E81 PolarHBondContact O-N 3.4Å; K79-R82 WeakPolarHBondContact O-CB 3.46Å; K79-R82 PolarHBondContact O-N 2.97Å; K79-S83 PolarHBondContact O-N 3.05Å; K79-Q97 VanDerWaalsContact NZ-CD 3.32Å
80L68.6Low63.1Low130 Ų13097.1 Ų97.168%0.68154%0.542SS*.Hα-helixtrans-59.8-38177.1-172.766.2000112.5L78 R82L78-L80 HydrophobicContact CD2-CB 3.78Å; L78-L80 HydrophobicContact CD2-CD2 4.41Å; L78-L80 HydrophobicContact CG-CB 4.01Å; L78-L80 PolarHBondContact O-N 3.37Å; L80-R82 VanDerWaalsContact C-N 3.35Å
81E64.4Low62.3Low133 Ų13396.2 Ų96.262%0.62154%0.54SS*.Hα-helixtrans-71.4-30179.1-67.1-178.4161.700112.5L78 K79 H84L78-E81 HydrophobicContact CB-CG 4.28Å; L78-E81 PolarHBondContact O-N 3.04Å; K79-E81 VanDerWaalsContact C-N 3.3Å; K79-E81 PolarHBondContact O-N 3.4Å; E81-H84 PolarHBondContact O-N 3.32Å
82R59.3Low61.8Low117 Ų11798.2 Ų98.244%0.44255%0.551SS.*Hα-helixtrans-67.1-39178.2-106.6-168.1-173.2110.316.4112.3D56 S77 K79 L80 H84 K85 G86D56-R82 IonicContact OD2-NH1 2.9Å; D56-R82 PolarHBondContact OD2-NH1 3.21Å; S77-R82 PolarHBondContact OG-NH1 3.45Å; K79-R82 WeakPolarHBondContact O-CB 3.46Å; K79-R82 PolarHBondContact O-N 2.97Å; L80-R82 VanDerWaalsContact C-N 3.35Å; R82-H84 PolarHBondContact O-N 3.09Å; R82-H84 VanDerWaalsContact O-N 3.13Å; R82-K85 PolarHBondContact O-N 2.85Å; R82-K85 VanDerWaalsContact O-N 3.09Å; R82-G86 PolarHBondContact O-N 3.36Å
83S54.7Low61.9Low76 Ų7695 Ų9553%0.53153%0.528SS..Hα-helixtrans-58.9-26.9179.6-162.20000112.2K79K79-S83 PolarHBondContact O-N 3.05Å
84H51.6Low62.3Low175 Ų17595.5 Ų95.581%0.8151%0.513SS*.Hα-helixtrans-84.3-19-178.9-140.5-58.5000114E81 R82E81-H84 PolarHBondContact O-N 3.32Å; R82-H84 PolarHBondContact O-N 3.09Å; R82-H84 VanDerWaalsContact O-N 3.13Å
85K52.8Low62.9Low201 Ų201101.2 Ų101.287%0.87453%0.528SS*.Hα-helixtrans-94.8-22.6-179.5-85.8-177.7177.9173.30113.6R82R82-K85 PolarHBondContact O-N 2.85Å; R82-K85 VanDerWaalsContact O-N 3.09Å
86G52.1Low63.4Low37 Ų3799.8 Ų99.838%0.38152%0.515SS..  trans-11369.5-174.200000113R82 H88R82-G86 PolarHBondContact O-N 3.36Å; G86-H88 PolarHBondContact O-N 3.44Å; G86-H88 VanDerWaalsContact O-N 3.08Å
87D49.5Very low63.5Low145 Ų14598.6 Ų98.678%0.77550%0.504SS*.THydrogen-bonded Turntrans-72.63.9-178.1-139.59.3000114
88H45.9Very low63.7Low185 Ų185100.5 Ų100.586%0.85652%0.515SS*.THydrogen-bonded Turntrans-139.711-177.8-69.7-46.3000115.6G86G86-H88 PolarHBondContact O-N 3.44Å; G86-H88 VanDerWaalsContact O-N 3.08Å
89V49.8Very low64.2Low117 Ų117100.6 Ų100.671%0.70952%0.518SS*.SBendtrans-113.8104.5170.7-176.20000106.9A91V89-A91 PolarHBondContact O-N 3.27Å
90E46.1Very low64.9Low191 Ų19199.4 Ų99.489%0.89351%0.513SS*.  trans-44.299.8171.7-161.3155.7-167.500108.6P92E90-P92 WeakPolarHBondContact O-CD 3.22Å
91A51Low66.1Low67 Ų6795.1 Ų95.155%0.55449%0.49SS*.  trans-73.7111.7-171.100000108.1V89 D93V89-A91 PolarHBondContact O-N 3.27Å; A91-D93 PolarHBondContact O-N 2.82Å
92P56Low67.6Low95 Ų9591.1 Ų91.162%0.61748%0.48SS*.THydrogen-bonded Turntrans-57.3130.5-178.821.1-31000110.7E90 H94E90-P92 WeakPolarHBondContact O-CD 3.22Å; P92-H94 VanDerWaalsContact C-N 3.26Å; P92-H94 PolarHBondContact O-N 2.98Å
93D61.7Low69.4Low34 Ų3487.2 Ų87.218%0.18247%0.468CS..THydrogen-bonded Turntrans41.135.9166.9-59.1-36.4000118.9A91 W95 A96 V152 N158A91-D93 PolarHBondContact O-N 2.82Å; D93-W95 PolarHBondContact O-N 3.29Å; D93-W95 PolarHBondContact OD1-NE1 3.46Å; D93-A96 PolarHBondContact O-N 3.5Å; D93-V152 HydrophobicContact CB-CG1 4.27Å; D93-N158 PolarHBondContact OD2-ND2 3.48Å; D93-N158 PolarHBondContact OD2-OD1 3.36Å
94H72.7Confident71.4Confident77 Ų7783.7 Ų83.736%0.35644%0.443SS..Hα-helixtrans-54.5-35.8173.1-179.1-97.6000112.2P92 A96 Q97 V98P92-H94 VanDerWaalsContact C-N 3.26Å; P92-H94 PolarHBondContact O-N 2.98Å; H94-A96 PolarHBondContact O-N 2.93Å; H94-Q97 PolarHBondContact O-N 3Å; H94-V98 WeakPolarHBondContact CE1-CG2 3.3Å; H94-V98 VanDerWaalsContact O-CG2 3.26Å; H94-V98 WeakPolarHBondContact O-CG2 3.39Å; H94-V98 PolarHBondContact O-N 3.47Å
95W80.2Confident73.6Confident154 Ų15477.9 Ų77.958%0.58342%0.421SS*.Hα-helixtrans-63.3-38.7-17868.3-90.9000112.8D93 T99D93-W95 PolarHBondContact O-N 3.29Å; D93-W95 PolarHBondContact OD1-NE1 3.46Å; W95-T99 WeakPolarHBondContact O-CB 3.49Å; W95-T99 PolarHBondContact O-N 3.47Å; W95-T99 PolarHBondContact O-OG1 3.25Å
96A85.4Confident75.7Confident2 Ų271.7 Ų71.72%0.01740%0.401CS..Hα-helixtrans-70.6-39.8-177.900000111.5D93 H94 T99 T100 L148 V152D93-A96 PolarHBondContact O-N 3.5Å; H94-A96 PolarHBondContact O-N 2.93Å; A96-T99 PolarHBondContact O-N 3.49Å; A96-T100 WeakPolarHBondContact O-CB 3.41Å; A96-T100 PolarHBondContact O-N 3.23Å; A96-T100 PolarHBondContact O-OG1 2.89Å; A96-L148 HydrophobicContact CB-CD2 4.09Å; A96-V152 HydrophobicContact CB-CB 4.34Å; A96-V152 HydrophobicContact CB-CG1 3.93Å; A96-V152 HydrophobicContact CB-CG2 3.87Å
97Q86.4Confident77.9Confident32 Ų3270 Ų7015%0.1538%0.382CS..Hα-helixtrans-65.8-44.9176.2-63.1171.72.900111K79 H94 T99 T100 L101K79-Q97 VanDerWaalsContact NZ-CD 3.32Å; H94-Q97 PolarHBondContact O-N 3Å; Q97-T99 VanDerWaalsContact C-N 3.34Å; Q97-T99 PolarHBondContact O-N 2.85Å; Q97-T100 PolarHBondContact O-N 3.4Å; Q97-L101 WeakPolarHBondContact O-CB 3.5Å; Q97-L101 PolarHBondContact O-N 3.13Å
98V88.4Confident80.1Confident64 Ų6463.9 Ų63.939%0.38835%0.351SS..Hα-helixtrans-62.2-41.3174.5173.10000111.5H94 L101 A102H94-V98 WeakPolarHBondContact CE1-CG2 3.3Å; H94-V98 VanDerWaalsContact O-CG2 3.26Å; H94-V98 WeakPolarHBondContact O-CG2 3.39Å; H94-V98 PolarHBondContact O-N 3.47Å; V98-L101 PolarHBondContact O-N 3.12Å; V98-A102 WeakPolarHBondContact O-CB 3.5Å; V98-A102 PolarHBondContact O-N 3.45Å
99T92.3Very high82.5Confident56 Ų5657.5 Ų57.534%0.34433%0.33SS..Hα-helixtrans-64.3-46.1177.5-57.80000110.9W95 A96 Q97 L101 A102 L103 L148W95-T99 WeakPolarHBondContact O-CB 3.49Å; W95-T99 PolarHBondContact O-N 3.47Å; W95-T99 PolarHBondContact O-OG1 3.25Å; A96-T99 PolarHBondContact O-N 3.49Å; Q97-T99 VanDerWaalsContact C-N 3.34Å; Q97-T99 PolarHBondContact O-N 2.85Å; T99-L101 VanDerWaalsContact C-N 3.32Å; T99-L101 PolarHBondContact O-N 3.31Å; T99-A102 PolarHBondContact O-N 3.4Å; T99-L103 HydrophobicContact CG2-CD1 3.99Å; T99-L103 HydrophobicContact CG2-CG 4.37Å; T99-L103 WeakPolarHBondContact O-CB 3.43Å; T99-L103 VanDerWaalsContact O-CG 3.26Å; T99-L103 WeakPolarHBondContact O-CG 3.47Å; T99-L103 PolarHBondContact O-N 2.94Å; T99-L148 HydrophobicContact CG2-CD1 4.09Å
100T94.2Very high84.8Confident0 Ų054 Ų540%031%0.307CS..Hα-helixtrans-58-46.1175.7-54.60000110.9W37 L53 A96 Q97 L103 L104 A145 L148 F149W37-T100 HydrophobicContact CZ3-CG2 4.42Å; L53-T100 HydrophobicContact CD2-CG2 3.94Å; L53-T100 HydrophobicContact CG-CG2 4.46Å; A96-T100 WeakPolarHBondContact O-CB 3.41Å; A96-T100 PolarHBondContact O-N 3.23Å; A96-T100 PolarHBondContact O-OG1 2.89Å; Q97-T100 PolarHBondContact O-N 3.4Å; T100-L103 PolarHBondContact O-N 3.11Å; T100-L104 HydrophobicContact CG2-CD1 3.97Å; T100-L104 WeakPolarHBondContact O-CG 3.32Å; T100-L104 PolarHBondContact O-N 2.96Å; T100-A145 HydrophobicContact CG2-CB 4.2Å; T100-L148 VanDerWaalsContact OG1-CD2 3.29Å; T100-L148 WeakPolarHBondContact OG1-CD2 3.2Å; T100-F149 HydrophobicContact CG2-CB 3.96Å; T100-F149 HydrophobicContact CG2-CD2 4.34Å
101L94.2Very high87.2Confident39 Ų3944.9 Ų44.920%0.20427%0.265CS..Hα-helixtrans-60.2-50.3176.5-178.865.1000112.2V32 L53 W54 Q97 V98 T99 L103 L104 C105V32-L101 HydrophobicContact CG1-CD1 3.51Å; L53-L101 HydrophobicContact CB-CB 4.18Å; L53-L101 HydrophobicContact CB-CD1 4.01Å; L53-L101 HydrophobicContact CD2-CB 4.1Å; L53-L101 HydrophobicContact CD2-CD1 4.18Å; L53-L101 HydrophobicContact CG-CB 4.4Å; W54-L101 HydrophobicContact CB-CD2 3.89Å; Q97-L101 WeakPolarHBondContact O-CB 3.5Å; Q97-L101 PolarHBondContact O-N 3.13Å; V98-L101 PolarHBondContact O-N 3.12Å; T99-L101 VanDerWaalsContact C-N 3.32Å; T99-L101 PolarHBondContact O-N 3.31Å; L101-L103 VanDerWaalsContact C-N 3.32Å; L101-L103 PolarHBondContact O-N 3.37Å; L101-L104 PolarHBondContact O-N 2.93Å; L101-C105 VanDerWaalsContact O-CB 3.28Å; L101-C105 WeakPolarHBondContact O-CB 3.4Å; L101-C105 PolarHBondContact O-N 3.37Å; L101-C105 PolarHBondContact O-SG 3.23Å
102A95.1Very high89.4Confident50 Ų5045.3 Ų45.341%0.41326%0.261SS..Hα-helixtrans-60-42.8179.600000111.4V98 T99 T106V98-A102 WeakPolarHBondContact O-CB 3.5Å; V98-A102 PolarHBondContact O-N 3.45Å; T99-A102 PolarHBondContact O-N 3.4Å; A102-T106 VanDerWaalsContact O-CB 3.22Å; A102-T106 WeakPolarHBondContact O-CB 3.42Å; A102-T106 PolarHBondContact O-N 3.1Å; A102-T106 PolarHBondContact O-OG1 3.11Å
103L97.3Very high91.3Very high35 Ų3544.9 Ų44.918%0.18325%0.252CS..Hα-helixtrans-65.4-44.7178.5-71.2172.6000112.3T99 T100 L101 T106 S107 L141 V144 A145T99-L103 HydrophobicContact CG2-CD1 3.99Å; T99-L103 HydrophobicContact CG2-CG 4.37Å; T99-L103 WeakPolarHBondContact O-CB 3.43Å; T99-L103 VanDerWaalsContact O-CG 3.26Å; T99-L103 WeakPolarHBondContact O-CG 3.47Å; T99-L103 PolarHBondContact O-N 2.94Å; T100-L103 PolarHBondContact O-N 3.11Å; L101-L103 VanDerWaalsContact C-N 3.32Å; L101-L103 PolarHBondContact O-N 3.37Å; L103-T106 PolarHBondContact O-N 2.98Å; L103-S107 WeakPolarHBondContact O-CB 3.46Å; L103-S107 PolarHBondContact O-N 3.45Å; L103-L141 HydrophobicContact CD2-CD2 3.74Å; L103-V144 HydrophobicContact CD1-CG1 4.05Å; L103-A145 HydrophobicContact CB-CB 3.74Å; L103-A145 HydrophobicContact CD1-CB 4.12Å
104L97Very high92.9Very high1 Ų143.3 Ų43.31%0.00524%0.244CC..Hα-helixtrans-69.1-40.1178.8-67.2172000112.4T28 V32 W37 L53 T100 L101 S107 S108 A145T28-L104 HydrophobicContact CG2-CB 4.22Å; T28-L104 HydrophobicContact CG2-CD2 4.05Å; V32-L104 HydrophobicContact CG2-CB 3.68Å; V32-L104 HydrophobicContact CG2-CD1 3.95Å; V32-L104 HydrophobicContact CG2-CG 4.47Å; W37-L104 HydrophobicContact CH2-CD1 3.42Å; W37-L104 VanDerWaalsContact CH2-CD1 3.42Å; W37-L104 HydrophobicContact CZ2-CD1 3.7Å; L53-L104 HydrophobicContact CD2-CD1 3.86Å; T100-L104 HydrophobicContact CG2-CD1 3.97Å; T100-L104 WeakPolarHBondContact O-CG 3.32Å; T100-L104 PolarHBondContact O-N 2.96Å; L101-L104 PolarHBondContact O-N 2.93Å; L104-S107 PolarHBondContact O-N 3.01Å; L104-S108 WeakPolarHBondContact O-CB 3.39Å; L104-S108 PolarHBondContact O-N 3.41Å; L104-S108 PolarHBondContact O-OG 3.4Å; L104-A145 HydrophobicContact CD2-CB 3.73Å; L104-A145 HydrophobicContact CG-CB 3.77Å
105C96.8Very high94Very high54 Ų5441.6 Ų41.637%0.36524%0.237SC..Hα-helixtrans-64.7-41.9173.9-72.20000111.8L101 S108 A109L101-C105 VanDerWaalsContact O-CB 3.28Å; L101-C105 WeakPolarHBondContact O-CB 3.4Å; L101-C105 PolarHBondContact O-N 3.37Å; L101-C105 PolarHBondContact O-SG 3.23Å; C105-S108 PolarHBondContact O-N 2.84Å; C105-S108 PolarHBondContact O-OG 3.17Å; C105-A109 VanDerWaalsContact O-CB 3.32Å; C105-A109 WeakPolarHBondContact O-CB 3.39Å; C105-A109 PolarHBondContact O-N 3.09Å
106T97.5Very high94.6Very high71 Ų7137.7 Ų37.744%0.43623%0.233SC..Hα-helixtrans-65.6-42.7175.5-56.70000110.5A102 L103 S108 A109 L110 L141A102-T106 VanDerWaalsContact O-CB 3.22Å; A102-T106 WeakPolarHBondContact O-CB 3.42Å; A102-T106 PolarHBondContact O-N 3.1Å; A102-T106 PolarHBondContact O-OG1 3.11Å; L103-T106 PolarHBondContact O-N 2.98Å; T106-S108 PolarHBondContact O-N 3.44Å; T106-A109 PolarHBondContact O-N 3.33Å; T106-L110 HydrophobicContact CG2-CD1 4.15Å; T106-L110 HydrophobicContact CG2-CG 4.46Å; T106-L110 WeakPolarHBondContact O-CB 3.4Å; T106-L110 WeakPolarHBondContact O-CG 3.44Å; T106-L110 PolarHBondContact O-N 2.91Å; T106-L141 HydrophobicContact CG2-CD1 3.98Å
107S97.7Very high94.9Very high0 Ų040.9 Ų40.90%025%0.247CC..Hα-helixtrans-60.4-44.6176.1-177.70000112.1L103 L104 G111 C138L103-S107 WeakPolarHBondContact O-CB 3.46Å; L103-S107 PolarHBondContact O-N 3.45Å; L104-S107 PolarHBondContact O-N 3.01Å; S107-G111 PolarHBondContact O-N 2.8Å; S107-C138 PolarHBondContact O-SG 3.42Å; S107-C138 VanDerWaalsContact O-SG 3.4Å; S107-C138 PolarHBondContact OG-O 2.75Å
108S96.1Very high95.2Very high17 Ų1741.2 Ų41.212%0.11925%0.248CC..Hα-helixtrans-69.6-40.217964.50000112.1L104 C105 T106 G111 V112L104-S108 WeakPolarHBondContact O-CB 3.39Å; L104-S108 PolarHBondContact O-N 3.41Å; L104-S108 PolarHBondContact O-OG 3.4Å; C105-S108 PolarHBondContact O-N 2.84Å; C105-S108 PolarHBondContact O-OG 3.17Å; T106-S108 PolarHBondContact O-N 3.44Å; S108-G111 WeakPolarHBondContact O-CA 3.44Å; S108-G111 PolarHBondContact O-N 3.37Å; S108-G111 VanDerWaalsContact O-N 3.11Å; S108-V112 WeakPolarHBondContact O-CG2 3.2Å; S108-V112 PolarHBondContact O-N 2.93Å
109A97.6Very high95.4Very high51 Ų5142 Ų4242%0.42126%0.255SS..Hα-helixtrans-61.4-46.8174.300000112C105 T106 G111 V112 I113C105-A109 VanDerWaalsContact O-CB 3.32Å; C105-A109 WeakPolarHBondContact O-CB 3.39Å; C105-A109 PolarHBondContact O-N 3.09Å; T106-A109 PolarHBondContact O-N 3.33Å; A109-G111 VanDerWaalsContact C-N 3.26Å; A109-G111 PolarHBondContact O-N 3.39Å; A109-V112 PolarHBondContact O-N 3.29Å; A109-I113 WeakPolarHBondContact O-CG1 3.35Å; A109-I113 PolarHBondContact O-N 3.17Å
110L97.5Very high95.3Very high43 Ų4341.6 Ų41.623%0.22525%0.254CS..Hα-helixtrans-62.9-34.1172.2-71.8176.9000111.7T106 I113 G114 N134 I137 C138 L141T106-L110 HydrophobicContact CG2-CD1 4.15Å; T106-L110 HydrophobicContact CG2-CG 4.46Å; T106-L110 WeakPolarHBondContact O-CB 3.4Å; T106-L110 WeakPolarHBondContact O-CG 3.44Å; T106-L110 PolarHBondContact O-N 2.91Å; L110-I113 HydrophobicContact CD2-CD1 4.38Å; L110-I113 PolarHBondContact O-N 2.98Å; L110-G114 PolarHBondContact O-N 3.24Å; L110-N134 PolarHBondContact O-ND2 2.91Å; L110-I137 HydrophobicContact CD1-CG2 3.75Å; L110-C138 VanDerWaalsContact C-SG 3.57Å; L110-C138 VanDerWaalsContact CB-SG 3.5Å; L110-L141 HydrophobicContact CD1-CD1 3.81Å
111G96.8Very high95Very high0 Ų041.7 Ų41.70%026%0.255CS..Hα-helixtrans-60.7-45174.300000112.1S107 S108 A109 G114 L115 C138S107-G111 PolarHBondContact O-N 2.8Å; S108-G111 WeakPolarHBondContact O-CA 3.44Å; S108-G111 PolarHBondContact O-N 3.37Å; S108-G111 VanDerWaalsContact O-N 3.11Å; A109-G111 VanDerWaalsContact C-N 3.26Å; A109-G111 PolarHBondContact O-N 3.39Å; G111-G114 WeakPolarHBondContact O-CA 3.47Å; G111-G114 PolarHBondContact O-N 3.03Å; G111-G114 VanDerWaalsContact O-N 3.17Å; G111-L115 PolarHBondContact O-N 3.25Å; G111-L115 VanDerWaalsContact O-N 3.1Å; G111-C138 PolarHBondContact N-SG 3.31Å; G111-C138 VanDerWaalsContact N-SG 3.37Å
112V96.6Very high94.5Very high77 Ų7746.1 Ų46.147%0.46727%0.27SS..Hα-helixtrans-64-44.6175.6174.80000111.5V25 S108 A109 G114 L115V25-V112 HydrophobicContact CG1-CG2 4.12Å; S108-V112 WeakPolarHBondContact O-CG2 3.2Å; S108-V112 PolarHBondContact O-N 2.93Å; A109-V112 PolarHBondContact O-N 3.29Å; V112-G114 PolarHBondContact O-N 3.34Å; V112-L115 WeakPolarHBondContact O-CB 3.33Å; V112-L115 PolarHBondContact O-N 3.44Å; V112-L115 VanDerWaalsContact O-N 3.09Å
113I96.4Very high94.1Very high86 Ų8649 Ų4944%0.44129%0.286SS..Hα-helixtrans-60.7-37.7173.2-66.2161.9000110.5A109 L110 L115 S116 F117A109-I113 WeakPolarHBondContact O-CG1 3.35Å; A109-I113 PolarHBondContact O-N 3.17Å; L110-I113 HydrophobicContact CD2-CD1 4.38Å; L110-I113 PolarHBondContact O-N 2.98Å; I113-L115 VanDerWaalsContact C-N 3.27Å; I113-L115 PolarHBondContact O-N 2.98Å; I113-S116 VanDerWaalsContact O-CB 3.3Å; I113-S116 WeakPolarHBondContact O-CB 3.38Å; I113-S116 PolarHBondContact O-N 3.4Å; I113-F117 HydrophobicContact CG2-CD2 4.46Å; I113-F117 HydrophobicContact CG2-CE2 3.88Å; I113-F117 PolarHBondContact O-N 2.98Å
114G95.1Very high93.6Very high0 Ų051.9 Ų51.90%030%0.297CS..Hα-helixtrans-56.7-37.1173.500000113.4L110 G111 V112 S116 F117 F118 W131 N134L110-G114 PolarHBondContact O-N 3.24Å; G111-G114 WeakPolarHBondContact O-CA 3.47Å; G111-G114 PolarHBondContact O-N 3.03Å; G111-G114 VanDerWaalsContact O-N 3.17Å; V112-G114 PolarHBondContact O-N 3.34Å; G114-S116 VanDerWaalsContact C-N 3.27Å; G114-S116 PolarHBondContact O-N 2.91Å; G114-F117 PolarHBondContact O-N 3.5Å; G114-F117 VanDerWaalsContact O-N 3.15Å; G114-F118 PolarHBondContact O-N 3.36Å; G114-W131 PolarHBondContact O-NE1 2.92Å; G114-N134 WeakPolarHBondContact CA-ND2 3.41Å
115L94.9Very high93.1Very high42 Ų4256.7 Ų56.722%0.2232%0.315CS..Hα-helixtrans-66.2-29.3176.2-65.5172.7000112.3M21 V22 G111 V112 I113 F118 C119M21-L115 HydrophobicContact CB-CD2 4.05Å; M21-L115 HydrophobicContact CG-CD2 3.78Å; M21-L115 HydrophobicContact CG-CG 4.37Å; V22-L115 HydrophobicContact CG2-CD1 4.02Å; V22-L115 HydrophobicContact CG2-CD2 3.81Å; G111-L115 PolarHBondContact O-N 3.25Å; G111-L115 VanDerWaalsContact O-N 3.1Å; V112-L115 WeakPolarHBondContact O-CB 3.33Å; V112-L115 PolarHBondContact O-N 3.44Å; V112-L115 VanDerWaalsContact O-N 3.09Å; I113-L115 VanDerWaalsContact C-N 3.27Å; I113-L115 PolarHBondContact O-N 2.98Å; L115-F118 WeakPolarHBondContact O-CB 3.18Å; L115-F118 PolarHBondContact O-N 2.82Å; L115-C119 PolarHBondContact O-N 2.89Å; L115-C119 VanDerWaalsContact O-N 3.15Å; L115-C119 PolarHBondContact O-SG 3.36Å
116S92.5Very high92.7Very high72 Ų7256.6 Ų56.650%0.50332%0.318SS..Hα-helixtrans-64.8-42.9171-52.50000111.3I113 G114 F118 C119 C120I113-S116 VanDerWaalsContact O-CB 3.3Å; I113-S116 WeakPolarHBondContact O-CB 3.38Å; I113-S116 PolarHBondContact O-N 3.4Å; G114-S116 VanDerWaalsContact C-N 3.27Å; G114-S116 PolarHBondContact O-N 2.91Å; S116-F118 VanDerWaalsContact C-N 3.33Å; S116-F118 PolarHBondContact O-N 3.03Å; S116-C119 PolarHBondContact O-N 2.98Å; S116-C120 PolarHBondContact O-N 2.86Å; S116-C120 PolarHBondContact O-SG 3.49Å
117F93.6Very high92.4Very high68 Ų6853.2 Ų53.230%0.29830%0.297SS..Hα-helixtrans-65-35.7174.6-65-58.2000112.8I113 G114 C119 C120 A121 C130 W131I113-F117 HydrophobicContact CG2-CD2 4.46Å; I113-F117 HydrophobicContact CG2-CE2 3.88Å; I113-F117 PolarHBondContact O-N 2.98Å; G114-F117 PolarHBondContact O-N 3.5Å; G114-F117 VanDerWaalsContact O-N 3.15Å; F117-C119 VanDerWaalsContact C-N 3.32Å; F117-C119 PolarHBondContact O-N 3.44Å; F117-C120 CarbonylContact O-C 3.46Å; F117-C120 PolarHBondContact O-N 2.94Å; F117-A121 PolarHBondContact O-N 3.37Å; F117-C130 HydrophobicContact CD1-CB 4.32Å; F117-W131 HydrophobicContact CB-CB 3.87Å; F117-W131 HydrophobicContact CB-CG 4.36Å
118F92.7Very high92.1Very high39 Ų3953.6 Ų53.617%0.17130%0.299CS..Hα-helixtrans-56.7-44.6172.1166-100.7000112.1H14 G114 L115 S116 A121 W131H14-F118 AromaticContact CD2-CD2 3.9Å; H14-F118 AromaticContact CD2-CE2 3.38Å; H14-F118 WeakPolarHBondContact CD2-CE2 3.27Å; H14-F118 AromaticContact CE1-CD2 3.4Å; H14-F118 WeakPolarHBondContact CE1-CD2 3.39Å; H14-F118 AromaticContact CE1-CE2 3.7Å; H14-F118 AromaticContact CG-CE2 3.95Å; H14-F118 AromaticContact NE2-CD2 3.23Å; H14-F118 WeakPolarHBondContact NE2-CD2 3.37Å; H14-F118 AromaticContact NE2-CE2 3.21Å; H14-F118 WeakPolarHBondContact NE2-CE2 3.3Å; H14-F118 PolarHBondContact NE2-O 3.28Å; H14-F118 WeakPolarHBondContact O-CE2 3.29Å; G114-F118 PolarHBondContact O-N 3.36Å; L115-F118 WeakPolarHBondContact O-CB 3.18Å; L115-F118 PolarHBondContact O-N 2.82Å; S116-F118 VanDerWaalsContact C-N 3.33Å; S116-F118 PolarHBondContact O-N 3.03Å; F118-A121 WeakPolarHBondContact O-CB 3.42Å; F118-A121 PolarHBondContact O-N 3.38Å; F118-W131 HydrophobicContact CB-CD2 4.13Å; F118-W131 HydrophobicContact CB-CH2 4.43Å; F118-W131 HydrophobicContact CB-CZ2 3.98Å; F118-W131 HydrophobicContact CD2-CE3 4.33Å; F118-W131 AromaticContact CD2-CH2 3.4Å; F118-W131 HydrophobicContact CD2-CH2 3.4Å; F118-W131 AromaticContact CD2-CZ2 3.71Å; F118-W131 HydrophobicContact CD2-CZ2 3.71Å; F118-W131 AromaticContact CD2-CZ3 3.75Å; F118-W131 HydrophobicContact CD2-CZ3 3.75Å; F118-W131 HydrophobicContact CE2-CH2 4.07Å; F118-W131 HydrophobicContact CE2-CZ3 4.48Å; F118-W131 HydrophobicContact CG-CH2 4.29Å; F118-W131 HydrophobicContact CG-CZ2 4.18Å
119C91.7Very high91.9Very high80 Ų8056.6 Ų56.654%0.54131%0.312SS..Hα-helixtrans-67.2-41.4175-66.60000111.9L115 S116 F117 A121 Y122L115-C119 PolarHBondContact O-N 2.89Å; L115-C119 VanDerWaalsContact O-N 3.15Å; L115-C119 PolarHBondContact O-SG 3.36Å; S116-C119 PolarHBondContact O-N 2.98Å; F117-C119 VanDerWaalsContact C-N 3.32Å; F117-C119 PolarHBondContact O-N 3.44Å; C119-A121 PolarHBondContact O-N 3.48Å; C119-Y122 WeakPolarHBondContact O-CD2 3.49Å
120C90.3Very high91.7Very high49 Ų4956.9 Ų56.933%0.33131%0.311SS..Hα-helixtrans-70.5-16.9178.6-670000114.1S116 F117 Y122 C123 F124 A127S116-C120 PolarHBondContact O-N 2.86Å; S116-C120 PolarHBondContact O-SG 3.49Å; F117-C120 CarbonylContact O-C 3.46Å; F117-C120 PolarHBondContact O-N 2.94Å; C120-Y122 PolarHBondContact O-N 2.83Å; C120-Y122 VanDerWaalsContact O-N 3.14Å; C120-C123 WeakPolarHBondContact O-CB 3.26Å; C120-C123 PolarHBondContact O-N 3.37Å; C120-F124 HydrophobicContact CB-CE1 3.69Å; C120-F124 HydrophobicContact CB-CZ 4.04Å; C120-F124 PolarHBondContact O-N 3.05Å; C120-A127 HydrophobicContact CB-CB 4.3Å
121A86.9Confident91.6Very high2 Ų254.9 Ų54.92%0.01730%0.3CS..THydrogen-bonded Turntrans-62.6-19.3-18000000113.6F117 F118 C119 C123 A127 Y128F117-A121 PolarHBondContact O-N 3.37Å; F118-A121 WeakPolarHBondContact O-CB 3.42Å; F118-A121 PolarHBondContact O-N 3.38Å; C119-A121 PolarHBondContact O-N 3.48Å; A121-C123 VanDerWaalsContact C-N 3.32Å; A121-A127 HydrophobicContact CB-CB 4.14Å; A121-Y128 HydrophobicContact CB-CD1 4.28Å; A121-Y128 HydrophobicContact CB-CD2 4.14Å; A121-Y128 HydrophobicContact CB-CE1 4.1Å; A121-Y128 HydrophobicContact CB-CE2 3.94Å; A121-Y128 HydrophobicContact CB-CG 4.29Å; A121-Y128 WeakPolarHBondContact O-CE2 3.47Å; A121-Y128 PolarHBondContact O-OH 3.45Å
122Y85.2Confident91.5Very high132 Ų13255.5 Ų55.552%0.51831%0.305SS..THydrogen-bonded Turntrans-74.2-24172-63.2-75.4000112.9L11 H14 C119 C120L11-Y122 HydrophobicContact CD2-CE1 4.08Å; H14-Y122 AromaticContact CD2-CZ 3.66Å; H14-Y122 PolarHBondContact CD2-OH 3.48Å; C119-Y122 WeakPolarHBondContact O-CD2 3.49Å; C120-Y122 PolarHBondContact O-N 2.83Å; C120-Y122 VanDerWaalsContact O-N 3.14Å
123C86.9Confident91.4Very high109 Ų10955.8 Ų55.874%0.73631%0.307SS*.THydrogen-bonded Turntrans-89.3-44.3-175-56.50000112.7C120 A121C120-C123 WeakPolarHBondContact O-CB 3.26Å; C120-C123 PolarHBondContact O-N 3.37Å; A121-C123 VanDerWaalsContact C-N 3.32Å
124F85.2Confident91.4Very high97 Ų9752.5 Ų52.543%0.42529%0.29SS..  trans-138138.6-176.759.7-88.2000112.3C120 A126 A127C120-F124 HydrophobicContact CB-CE1 3.69Å; C120-F124 HydrophobicContact CB-CZ 4.04Å; C120-F124 PolarHBondContact O-N 3.05Å; F124-A126 VanDerWaalsContact C-N 3.27Å; F124-A126 HydrophobicContact CD2-CB 3.97Å; F124-A126 HydrophobicContact CE2-CB 4.42Å; F124-A126 PolarHBondContact O-N 3.21Å; F124-A127 HydrophobicContact CD1-CB 4.45Å; F124-A127 HydrophobicContact CD2-CB 3.62Å; F124-A127 HydrophobicContact CE1-CB 4.1Å; F124-A127 VanDerWaalsContact CE2-CA 3.44Å; F124-A127 HydrophobicContact CE2-CB 3.2Å; F124-A127 HydrophobicContact CG-CB 4.23Å; F124-A127 HydrophobicContact CZ-CB 3.47Å; F124-A127 VanDerWaalsContact CZ-CB 3.47Å; F124-A127 PolarHBondContact O-N 2.88Å
125R87Confident91.5Very high102 Ų10252.5 Ų52.539%0.38529%0.29SS..THydrogen-bonded Turntrans-63.2-29.9-176.2-69.2-175.9-179.8176.5-2.1113.3A127 Y128 V200 Y201 S205R125-A127 PolarHBondContact O-N 3.49Å; R125-Y128 WeakPolarHBondContact O-CD2 3.36Å; R125-Y128 PolarHBondContact O-N 3.07Å; R125-V200 HydrophobicContact CG-CG1 4.32Å; R125-Y201 PolarHBondContact O-OH 2.97Å; R125-S205 PolarHBondContact NH2-O 2.74Å; R125-S205 VanDerWaalsContact NH2-O 3.17Å; R125-S205 PolarHBondContact NH2-OG 2.93Å
126A89Confident91.6Very high51 Ų5151.8 Ų51.842%0.42129%0.291SS..Hα-helixtrans-65.8-23.7178.700000113.1F124 Y128 I129 C130F124-A126 VanDerWaalsContact C-N 3.27Å; F124-A126 HydrophobicContact CD2-CB 3.97Å; F124-A126 HydrophobicContact CE2-CB 4.42Å; F124-A126 PolarHBondContact O-N 3.21Å; A126-Y128 PolarHBondContact O-N 3.35Å; A126-I129 PolarHBondContact O-N 3.44Å; A126-C130 PolarHBondContact O-N 2.82Å; A126-C130 VanDerWaalsContact O-N 3.1Å
127A90.9Very high91.9Very high0 Ų052 Ų520%029%0.285CS..Hα-helixtrans-64.1-28.2178.700000112.8C120 A121 F124 R125 I129 C130 W131C120-A127 HydrophobicContact CB-CB 4.3Å; A121-A127 HydrophobicContact CB-CB 4.14Å; F124-A127 HydrophobicContact CD1-CB 4.45Å; F124-A127 HydrophobicContact CD2-CB 3.62Å; F124-A127 HydrophobicContact CE1-CB 4.1Å; F124-A127 VanDerWaalsContact CE2-CA 3.44Å; F124-A127 HydrophobicContact CE2-CB 3.2Å; F124-A127 HydrophobicContact CG-CB 4.23Å; F124-A127 HydrophobicContact CZ-CB 3.47Å; F124-A127 VanDerWaalsContact CZ-CB 3.47Å; F124-A127 PolarHBondContact O-N 2.88Å; R125-A127 PolarHBondContact O-N 3.49Å; A127-I129 VanDerWaalsContact C-N 3.3Å; A127-I129 PolarHBondContact O-N 3.21Å; A127-C130 PolarHBondContact O-N 3.39Å; A127-W131 VanDerWaalsContact O-CB 3.24Å; A127-W131 WeakPolarHBondContact O-CB 3.43Å; A127-W131 PolarHBondContact O-N 2.86Å
128Y90.4Very high92Very high9 Ų948.8 Ų48.84%0.03527%0.271CS..Hα-helixtrans-61.6-40.9173.4-71.2-89000111.5K10 H14 A121 R125 A126 A132 V200K10-Y128 WeakPolarHBondContact CE-OH 3.22Å; K10-Y128 PolarHBondContact NZ-OH 3.26Å; H14-Y128 AromaticContact CE1-CE1 3.7Å; H14-Y128 AromaticContact ND1-CD1 3.93Å; H14-Y128 AromaticContact ND1-CE1 3.4Å; H14-Y128 WeakPolarHBondContact ND1-CE1 3.22Å; A121-Y128 HydrophobicContact CB-CD1 4.28Å; A121-Y128 HydrophobicContact CB-CD2 4.14Å; A121-Y128 HydrophobicContact CB-CE1 4.1Å; A121-Y128 HydrophobicContact CB-CE2 3.94Å; A121-Y128 HydrophobicContact CB-CG 4.29Å; A121-Y128 WeakPolarHBondContact O-CE2 3.47Å; A121-Y128 PolarHBondContact O-OH 3.45Å; R125-Y128 WeakPolarHBondContact O-CD2 3.36Å; R125-Y128 PolarHBondContact O-N 3.07Å; A126-Y128 PolarHBondContact O-N 3.35Å; Y128-A132 WeakPolarHBondContact O-CB 3.41Å; Y128-A132 PolarHBondContact O-N 3.43Å; Y128-V200 HydrophobicContact CD1-CG2 4.43Å; Y128-V200 HydrophobicContact CD2-CG1 4.43Å; Y128-V200 HydrophobicContact CD2-CG2 4.49Å; Y128-V200 HydrophobicContact CE1-CG2 4.32Å; Y128-V200 HydrophobicContact CE2-CG2 4.4Å
129I92.2Very high92.2Very high79 Ų7948.5 Ų48.541%0.40527%0.271SS..Hα-helixtrans-69.9-48.4178.4-59.1179.8000109.7A126 A127 W131 A132 V133 Y201A126-I129 PolarHBondContact O-N 3.44Å; A127-I129 VanDerWaalsContact C-N 3.3Å; A127-I129 PolarHBondContact O-N 3.21Å; I129-W131 VanDerWaalsContact C-N 3.27Å; I129-W131 PolarHBondContact O-N 3.41Å; I129-A132 PolarHBondContact O-N 2.95Å; I129-A132 VanDerWaalsContact O-N 3.14Å; I129-V133 HydrophobicContact CG2-CG2 4.27Å; I129-V133 WeakPolarHBondContact O-CG2 3.38Å; I129-V133 PolarHBondContact O-N 3.24Å; I129-Y201 HydrophobicContact CD1-CE1 4.36Å; I129-Y201 HydrophobicContact CD1-CE2 3.61Å; I129-Y201 VanDerWaalsContact CD1-CZ 3.49Å; I129-Y201 VanDerWaalsContact CD1-OH 3.25Å; I129-Y201 WeakPolarHBondContact CD1-OH 3.32Å; I129-Y201 HydrophobicContact CG1-CE2 3.72Å
130C93.9Very high92.5Very high57 Ų5749.6 Ų49.639%0.38527%0.271SS..Hα-helixtrans-57.7-42178.3-62.30000111.7F117 A126 A127 V133 N134F117-C130 HydrophobicContact CD1-CB 4.32Å; A126-C130 PolarHBondContact O-N 2.82Å; A126-C130 VanDerWaalsContact O-N 3.1Å; A127-C130 PolarHBondContact O-N 3.39Å; C130-V133 PolarHBondContact O-N 3.31Å; C130-N134 VanDerWaalsContact O-CB 3.3Å; C130-N134 WeakPolarHBondContact O-CB 3.44Å; C130-N134 PolarHBondContact O-N 2.68Å
131W95.2Very high92.9Very high2 Ų249.2 Ų49.21%0.00827%0.265CS..Hα-helixtrans-65.7-41.8176.8-175.240.3000112.4H14 A17 G114 F117 F118 A127 I129 N134 N135 N193H14-W131 AromaticContact CE1-CE3 3.72Å; H14-W131 AromaticContact CE1-CZ3 3.37Å; H14-W131 WeakPolarHBondContact CE1-CZ3 3.34Å; H14-W131 AromaticContact ND1-CE3 3.97Å; H14-W131 AromaticContact ND1-CZ3 3.32Å; H14-W131 VanDerWaalsContact ND1-CZ3 3.32Å; H14-W131 WeakPolarHBondContact ND1-CZ3 3.3Å; A17-W131 HydrophobicContact CB-CH2 3.77Å; A17-W131 HydrophobicContact CB-CZ3 4.43Å; G114-W131 PolarHBondContact O-NE1 2.92Å; F117-W131 HydrophobicContact CB-CB 3.87Å; F117-W131 HydrophobicContact CB-CG 4.36Å; F118-W131 HydrophobicContact CB-CD2 4.13Å; F118-W131 HydrophobicContact CB-CH2 4.43Å; F118-W131 HydrophobicContact CB-CZ2 3.98Å; F118-W131 HydrophobicContact CD2-CE3 4.33Å; F118-W131 AromaticContact CD2-CH2 3.4Å; F118-W131 HydrophobicContact CD2-CH2 3.4Å; F118-W131 AromaticContact CD2-CZ2 3.71Å; F118-W131 HydrophobicContact CD2-CZ2 3.71Å; F118-W131 AromaticContact CD2-CZ3 3.75Å; F118-W131 HydrophobicContact CD2-CZ3 3.75Å; F118-W131 HydrophobicContact CE2-CH2 4.07Å; F118-W131 HydrophobicContact CE2-CZ3 4.48Å; F118-W131 HydrophobicContact CG-CH2 4.29Å; F118-W131 HydrophobicContact CG-CZ2 4.18Å; A127-W131 VanDerWaalsContact O-CB 3.24Å; A127-W131 WeakPolarHBondContact O-CB 3.43Å; A127-W131 PolarHBondContact O-N 2.86Å; I129-W131 VanDerWaalsContact C-N 3.27Å; I129-W131 PolarHBondContact O-N 3.41Å; W131-N134 PolarHBondContact O-N 2.95Å; W131-N135 WeakPolarHBondContact O-CB 3.48Å; W131-N135 PolarHBondContact O-N 3.27Å; W131-N193 WeakPolarHBondContact CH2-OD1 3.44Å; W131-N193 WeakPolarHBondContact CZ3-OD1 3.05Å
132A94.1Very high93.4Very high13 Ų1349.2 Ų49.211%0.10727%0.265CS..Hα-helixtrans-63.3-44.2175.900000112.2Y128 I129 N135 A136 N193Y128-A132 WeakPolarHBondContact O-CB 3.41Å; Y128-A132 PolarHBondContact O-N 3.43Å; I129-A132 PolarHBondContact O-N 2.95Å; I129-A132 VanDerWaalsContact O-N 3.14Å; A132-N135 PolarHBondContact O-N 2.99Å; A132-A136 WeakPolarHBondContact O-CB 3.37Å; A132-A136 PolarHBondContact O-N 2.93Å; A132-N193 HydrophobicContact CB-CB 4.43Å
133V95.7Very high94Very high82 Ų8244.8 Ų44.850%0.49725%0.253SS..Hα-helixtrans-63.3-45.9176.51730000110.8I129 C130 N135 A136 I137I129-V133 HydrophobicContact CG2-CG2 4.27Å; I129-V133 WeakPolarHBondContact O-CG2 3.38Å; I129-V133 PolarHBondContact O-N 3.24Å; C130-V133 PolarHBondContact O-N 3.31Å; V133-N135 PolarHBondContact O-N 3.48Å; V133-A136 WeakPolarHBondContact O-CB 3.42Å; V133-A136 PolarHBondContact O-N 3.07Å; V133-I137 HydrophobicContact CG1-CD1 4.23Å; V133-I137 WeakPolarHBondContact O-CG1 3.29Å; V133-I137 PolarHBondContact O-N 3.44Å
134N96.4Very high94.5Very high17 Ų1743.2 Ų43.29%0.09124%0.24CC..Hα-helixtrans-60.9-44.4177.1-176.683.8000111.8L110 G114 C130 W131 A136 I137 C138L110-N134 PolarHBondContact O-ND2 2.91Å; G114-N134 WeakPolarHBondContact CA-ND2 3.41Å; C130-N134 VanDerWaalsContact O-CB 3.3Å; C130-N134 WeakPolarHBondContact O-CB 3.44Å; C130-N134 PolarHBondContact O-N 2.68Å; W131-N134 PolarHBondContact O-N 2.95Å; N134-A136 VanDerWaalsContact C-N 3.32Å; N134-A136 PolarHBondContact O-N 3.43Å; N134-I137 PolarHBondContact O-N 2.92Å; N134-C138 PolarHBondContact O-N 2.89Å; N134-C138 PolarHBondContact O-SG 2.89Å; N134-C138 VanDerWaalsContact O-SG 3.33Å
135N96.1Very high95Very high0 Ų038.6 Ų38.60%022%0.22CC..Hα-helixtrans-62.6-39175.6-169.88.3000111.9M21 W131 A132 V133 I137 C138 M139 C189 L190 N193M21-N135 HydrophobicContact CE-CB 4.18Å; W131-N135 WeakPolarHBondContact O-CB 3.48Å; W131-N135 PolarHBondContact O-N 3.27Å; A132-N135 PolarHBondContact O-N 2.99Å; V133-N135 PolarHBondContact O-N 3.48Å; N135-I137 VanDerWaalsContact C-N 3.3Å; N135-I137 PolarHBondContact O-N 2.87Å; N135-C138 WeakPolarHBondContact O-CB 3.45Å; N135-C138 PolarHBondContact O-N 3.34Å; N135-M139 WeakPolarHBondContact O-CB 3.33Å; N135-M139 PolarHBondContact O-N 2.9Å; N135-C189 PolarHBondContact ND2-SG 3.08Å; N135-L190 HydrophobicContact CB-CD1 4.49Å; N135-L190 PolarHBondContact ND2-N 3.32Å; N135-N193 PolarHBondContact ND2-ND2 2.8Å; N135-N193 VanDerWaalsContact ND2-ND2 3.14Å
136A97.5Very high95.5Very high28 Ų2834.6 Ų34.623%0.23121%0.207CC..Hα-helixtrans-60.7-40.3174.500000111.9A132 V133 N134 M139 L140 L190A132-A136 WeakPolarHBondContact O-CB 3.37Å; A132-A136 PolarHBondContact O-N 2.93Å; V133-A136 WeakPolarHBondContact O-CB 3.42Å; V133-A136 PolarHBondContact O-N 3.07Å; N134-A136 VanDerWaalsContact C-N 3.32Å; N134-A136 PolarHBondContact O-N 3.43Å; A136-M139 PolarHBondContact O-N 3.26Å; A136-L140 VanDerWaalsContact O-CG 3.3Å; A136-L140 WeakPolarHBondContact O-CG 3.46Å; A136-L140 PolarHBondContact O-N 2.98Å; A136-L190 HydrophobicContact CB-CD1 3.92Å; A136-L190 HydrophobicContact CB-CD2 4.14Å
137I97.9Very high95.8Very high76 Ų7636.7 Ų36.739%0.3921%0.21SC..Hα-helixtrans-65-46.7174.8-63.6166.7000110.7L110 V133 N134 N135 M139 L140 L141L110-I137 HydrophobicContact CD1-CG2 3.75Å; V133-I137 HydrophobicContact CG1-CD1 4.23Å; V133-I137 WeakPolarHBondContact O-CG1 3.29Å; V133-I137 PolarHBondContact O-N 3.44Å; N134-I137 PolarHBondContact O-N 2.92Å; N135-I137 VanDerWaalsContact C-N 3.3Å; N135-I137 PolarHBondContact O-N 2.87Å; I137-M139 VanDerWaalsContact C-N 3.33Å; I137-M139 PolarHBondContact O-N 3.3Å; I137-L140 PolarHBondContact O-N 3.36Å; I137-L141 HydrophobicContact CG2-CD1 3.89Å; I137-L141 HydrophobicContact CG2-CG 4.25Å; I137-L141 WeakPolarHBondContact O-CG 3.34Å; I137-L141 PolarHBondContact O-N 3.33Å
138C97.7Very high96Very high0 Ų038.5 Ų38.50%022%0.219CC..Hα-helixtrans-56-46.5174.8-65.80000112S107 L110 G111 N134 N135 L140 L141 S142 F186S107-C138 PolarHBondContact O-SG 3.42Å; S107-C138 VanDerWaalsContact O-SG 3.4Å; S107-C138 PolarHBondContact OG-O 2.75Å; L110-C138 VanDerWaalsContact C-SG 3.57Å; L110-C138 VanDerWaalsContact CB-SG 3.5Å; G111-C138 PolarHBondContact N-SG 3.31Å; G111-C138 VanDerWaalsContact N-SG 3.37Å; N134-C138 PolarHBondContact O-N 2.89Å; N134-C138 PolarHBondContact O-SG 2.89Å; N134-C138 VanDerWaalsContact O-SG 3.33Å; N135-C138 WeakPolarHBondContact O-CB 3.45Å; N135-C138 PolarHBondContact O-N 3.34Å; C138-L140 PolarHBondContact O-N 3Å; C138-L141 PolarHBondContact O-N 3.27Å; C138-S142 WeakPolarHBondContact O-CB 3.28Å; C138-S142 PolarHBondContact O-N 3.02Å; C138-S142 PolarHBondContact O-OG 3.1Å; C138-F186 HydrophobicContact CB-CD1 4.22Å; C138-F186 HydrophobicContact CB-CE1 4.1Å; C138-F186 HydrophobicContact CB-CZ 4.45Å
139M96.5Very high96.2Very high33 Ų3338.6 Ų38.616%0.16322%0.22CC..Hα-helixtrans-58.4-48.7176.7-179-158.770.400111.2N135 A136 I137 S142 C143 F186 V187 L190N135-M139 WeakPolarHBondContact O-CB 3.33Å; N135-M139 PolarHBondContact O-N 2.9Å; A136-M139 PolarHBondContact O-N 3.26Å; I137-M139 VanDerWaalsContact C-N 3.33Å; I137-M139 PolarHBondContact O-N 3.3Å; M139-S142 WeakPolarHBondContact CA-OG 3.46Å; M139-S142 PolarHBondContact O-N 3.38Å; M139-S142 PolarHBondContact O-OG 2.79Å; M139-C143 VanDerWaalsContact O-CB 3.3Å; M139-C143 WeakPolarHBondContact O-CB 3.37Å; M139-C143 PolarHBondContact O-N 2.9Å; M139-C143 PolarHBondContact O-SG 2.88Å; M139-F186 HydrophobicContact CB-CB 4.1Å; M139-F186 HydrophobicContact CG-CB 4.44Å; M139-V187 HydrophobicContact CG-CG2 3.71Å; M139-V187 HydrophobicContact SD-CB 4.37Å; M139-V187 HydrophobicContact SD-CG2 3.81Å; M139-L190 HydrophobicContact CE-CD2 3.78Å; M139-L190 HydrophobicContact SD-CB 4.48Å; M139-L190 HydrophobicContact SD-CD2 3.45Å; M139-L190 WeakPolarHBondContact SD-CD2 3.46Å
140L97.8Very high96.3Very high104 Ų10439.1 Ų39.155%0.54522%0.219SC..Hα-helixtrans-62.8-46.6-179.7-71171.9000112A136 I137 C138 S142 C143 V144A136-L140 VanDerWaalsContact O-CG 3.3Å; A136-L140 WeakPolarHBondContact O-CG 3.46Å; A136-L140 PolarHBondContact O-N 2.98Å; I137-L140 PolarHBondContact O-N 3.36Å; C138-L140 PolarHBondContact O-N 3Å; L140-S142 PolarHBondContact O-N 3.36Å; L140-C143 PolarHBondContact O-N 3.42Å; L140-V144 WeakPolarHBondContact O-CB 3.29Å; L140-V144 WeakPolarHBondContact O-CG2 3.12Å; L140-V144 PolarHBondContact O-N 2.96Å
141L98Very high96.3Very high41 Ų4142.2 Ų42.222%0.21523%0.228CC..Hα-helixtrans-62.9-43.6179.3-65.9175.3000111.8L103 T106 L110 I137 C138 A145L103-L141 HydrophobicContact CD2-CD2 3.74Å; T106-L141 HydrophobicContact CG2-CD1 3.98Å; L110-L141 HydrophobicContact CD1-CD1 3.81Å; I137-L141 HydrophobicContact CG2-CD1 3.89Å; I137-L141 HydrophobicContact CG2-CG 4.25Å; I137-L141 WeakPolarHBondContact O-CG 3.34Å; I137-L141 PolarHBondContact O-N 3.33Å; C138-L141 PolarHBondContact O-N 3.27Å; L141-A145 WeakPolarHBondContact O-CB 3.34Å; L141-A145 PolarHBondContact O-N 2.93Å
142S97.4Very high96Very high1 Ų143 Ų431%0.00723%0.233CC..Hα-helixtrans-68-42.8178.357.10000112.6C138 M139 L140 A145 V146C138-S142 WeakPolarHBondContact O-CB 3.28Å; C138-S142 PolarHBondContact O-N 3.02Å; C138-S142 PolarHBondContact O-OG 3.1Å; M139-S142 WeakPolarHBondContact CA-OG 3.46Å; M139-S142 PolarHBondContact O-N 3.38Å; M139-S142 PolarHBondContact O-OG 2.79Å; L140-S142 PolarHBondContact O-N 3.36Å; S142-A145 PolarHBondContact O-N 3.31Å; S142-V146 WeakPolarHBondContact O-CG2 3.28Å; S142-V146 PolarHBondContact O-N 2.92Å
143C97.3Very high95.8Very high39 Ų3942.7 Ų42.726%0.26423%0.23SC..Hα-helixtrans-61.7-46.7174.8-73.90000111.7M139 L140 A145 V146 I147M139-C143 VanDerWaalsContact O-CB 3.3Å; M139-C143 WeakPolarHBondContact O-CB 3.37Å; M139-C143 PolarHBondContact O-N 2.9Å; M139-C143 PolarHBondContact O-SG 2.88Å; L140-C143 PolarHBondContact O-N 3.42Å; C143-A145 VanDerWaalsContact C-N 3.32Å; C143-A145 PolarHBondContact O-N 3.48Å; C143-V146 PolarHBondContact O-N 2.86Å; C143-I147 WeakPolarHBondContact O-CB 3.44Å; C143-I147 WeakPolarHBondContact O-CD1 3.5Å; C143-I147 WeakPolarHBondContact O-CG1 3.48Å; C143-I147 PolarHBondContact O-N 2.72Å
144V97.9Very high95.5Very high77 Ų7743 Ų4347%0.46723%0.226SC..Hα-helixtrans-61.3-42177.71710000110.8L103 L140 I147 L148L103-V144 HydrophobicContact CD1-CG1 4.05Å; L140-V144 WeakPolarHBondContact O-CB 3.29Å; L140-V144 WeakPolarHBondContact O-CG2 3.12Å; L140-V144 PolarHBondContact O-N 2.96Å; V144-I147 PolarHBondContact O-N 3.42Å; V144-L148 WeakPolarHBondContact O-CB 3.41Å; V144-L148 PolarHBondContact O-N 3.37Å
145A96.7Very high95.2Very high0 Ų046.7 Ų46.70%024%0.243CC..Hα-helixtrans-61.3-47.6177.500000112.6T100 L103 L104 L141 S142 C143 L148 F149T100-A145 HydrophobicContact CG2-CB 4.2Å; L103-A145 HydrophobicContact CB-CB 3.74Å; L103-A145 HydrophobicContact CD1-CB 4.12Å; L104-A145 HydrophobicContact CD2-CB 3.73Å; L104-A145 HydrophobicContact CG-CB 3.77Å; L141-A145 WeakPolarHBondContact O-CB 3.34Å; L141-A145 PolarHBondContact O-N 2.93Å; S142-A145 PolarHBondContact O-N 3.31Å; C143-A145 VanDerWaalsContact C-N 3.32Å; C143-A145 PolarHBondContact O-N 3.48Å; A145-L148 PolarHBondContact O-N 3.28Å; A145-F149 WeakPolarHBondContact O-CB 3.38Å; A145-F149 PolarHBondContact O-N 3.24Å
146V96.5Very high94.7Very high18 Ų1853.2 Ų53.211%0.10927%0.271CS..Hα-helixtrans-63.7-44.1179169.10000111S142 C143 F150 F176 A179 V180 A183S142-V146 WeakPolarHBondContact O-CG2 3.28Å; S142-V146 PolarHBondContact O-N 2.92Å; C143-V146 PolarHBondContact O-N 2.86Å; V146-F150 VanDerWaalsContact O-CB 3.3Å; V146-F150 WeakPolarHBondContact O-CB 3.47Å; V146-F150 PolarHBondContact O-N 2.85Å; V146-F176 HydrophobicContact CG1-CE2 3.93Å; V146-F176 HydrophobicContact CG1-CZ 4.01Å; V146-A179 HydrophobicContact CG2-CB 4.2Å; V146-V180 HydrophobicContact CG1-CG2 3.58Å; V146-A183 HydrophobicContact CG2-CB 4.41Å
147I96.7Very high94Very high94 Ų9459.5 Ų59.548%0.48230%0.296SS..Hα-helixtrans-64.4-45.2178.7-69.3166.4000110.7C143 V144 F150 H151C143-I147 WeakPolarHBondContact O-CB 3.44Å; C143-I147 WeakPolarHBondContact O-CD1 3.5Å; C143-I147 WeakPolarHBondContact O-CG1 3.48Å; C143-I147 PolarHBondContact O-N 2.72Å; V144-I147 PolarHBondContact O-N 3.42Å; I147-F150 PolarHBondContact O-N 2.9Å; I147-H151 PolarHBondContact O-CD2 3.05Å; I147-H151 VanDerWaalsContact O-CD2 3.24Å; I147-H151 PolarHBondContact O-N 3.26Å
148L94.7Very high93.3Very high39 Ų3956.8 Ų56.820%0.20428%0.282CS..Hα-helixtrans-60-48.9178.2-176.7149.7000111A96 T99 T100 V144 A145 F150 H151 V152A96-L148 HydrophobicContact CB-CD2 4.09Å; T99-L148 HydrophobicContact CG2-CD1 4.09Å; T100-L148 VanDerWaalsContact OG1-CD2 3.29Å; T100-L148 WeakPolarHBondContact OG1-CD2 3.2Å; V144-L148 WeakPolarHBondContact O-CB 3.41Å; V144-L148 PolarHBondContact O-N 3.37Å; A145-L148 PolarHBondContact O-N 3.28Å; L148-F150 VanDerWaalsContact C-N 3.32Å; L148-F150 PolarHBondContact O-N 3.3Å; L148-H151 PolarHBondContact O-N 3.18Å; L148-V152 WeakPolarHBondContact O-CG2 3.44Å; L148-V152 PolarHBondContact O-N 3.21Å
149F93.9Very high92.7Very high11 Ų1162.1 Ų62.15%0.04830%0.302CS..Hα-helixtrans-61.6-41.8176.8-174.9-88.8000111.8W37 Q38 L53 T100 A145 V152 S153 F176W37-F149 HydrophobicContact CB-CE1 4.37Å; W37-F149 HydrophobicContact CB-CE2 4.23Å; W37-F149 HydrophobicContact CB-CZ 3.72Å; W37-F149 HydrophobicContact CD2-CZ 4.46Å; W37-F149 AromaticContact CE3-CD1 3.76Å; W37-F149 HydrophobicContact CE3-CD1 3.76Å; W37-F149 AromaticContact CE3-CD2 3.95Å; W37-F149 HydrophobicContact CE3-CD2 3.95Å; W37-F149 AromaticContact CE3-CE1 3.73Å; W37-F149 HydrophobicContact CE3-CE1 3.73Å; W37-F149 AromaticContact CE3-CE2 3.92Å; W37-F149 HydrophobicContact CE3-CE2 3.92Å; W37-F149 AromaticContact CE3-CG 3.87Å; W37-F149 HydrophobicContact CE3-CG 3.87Å; W37-F149 AromaticContact CE3-CZ 3.81Å; W37-F149 HydrophobicContact CE3-CZ 3.81Å; W37-F149 HydrophobicContact CG-CZ 4.49Å; W37-F149 HydrophobicContact CZ3-CB 4.38Å; W37-F149 HydrophobicContact CZ3-CD1 4.07Å; W37-F149 HydrophobicContact CZ3-CD2 4.3Å; W37-F149 HydrophobicContact CZ3-CE1 4.48Å; W37-F149 AromaticContact CZ3-CG 3.97Å; W37-F149 HydrophobicContact CZ3-CG 3.97Å; Q38-F149 HydrophobicContact CG-CE1 4.39Å; Q38-F149 HydrophobicContact CG-CZ 3.96Å; L53-F149 HydrophobicContact CD1-CE2 4.31Å; T100-F149 HydrophobicContact CG2-CB 3.96Å; T100-F149 HydrophobicContact CG2-CD2 4.34Å; A145-F149 WeakPolarHBondContact O-CB 3.38Å; A145-F149 PolarHBondContact O-N 3.24Å; F149-V152 PolarHBondContact O-N 2.96Å; F149-S153 WeakPolarHBondContact O-CB 3.26Å; F149-S153 PolarHBondContact O-N 3.4Å; F149-S153 PolarHBondContact O-OG 3.48Å; F149-F176 AromaticContact CD1-CD2 3.47Å; F149-F176 HydrophobicContact CD1-CD2 3.47Å; F149-F176 VanDerWaalsContact CD1-CD2 3.47Å; F149-F176 AromaticContact CD1-CE2 3.79Å; F149-F176 HydrophobicContact CD1-CE2 3.79Å; F149-F176 HydrophobicContact CD1-CG 4.49Å; F149-F176 AromaticContact CE1-CD2 3.92Å; F149-F176 HydrophobicContact CE1-CD2 3.92Å; F149-F176 HydrophobicContact CG-CD2 4.42Å
150F94.2Very high92.1Very high90 Ų9061.4 Ų61.440%0.39530%0.299SS..Hα-helixtrans-60.5-47.1177.8-176.3-96.3000111.5V146 I147 L148 S153 H154 F176V146-F150 VanDerWaalsContact O-CB 3.3Å; V146-F150 WeakPolarHBondContact O-CB 3.47Å; V146-F150 PolarHBondContact O-N 2.85Å; I147-F150 PolarHBondContact O-N 2.9Å; L148-F150 VanDerWaalsContact C-N 3.32Å; L148-F150 PolarHBondContact O-N 3.3Å; F150-S153 WeakPolarHBondContact CA-OG 3.35Å; F150-S153 PolarHBondContact O-OG 3.18Å; F150-H154 AromaticContact CD2-CD2 3.68Å; F150-H154 AromaticContact CD2-NE2 3.83Å; F150-H154 AromaticContact CE1-CD2 3.74Å; F150-H154 AromaticContact CE2-CD2 3.38Å; F150-H154 WeakPolarHBondContact CE2-CD2 3.31Å; F150-H154 AromaticContact CE2-NE2 3.12Å; F150-H154 WeakPolarHBondContact CE2-NE2 3.43Å; F150-H154 AromaticContact CZ-CD2 3.41Å; F150-H154 VanDerWaalsContact CZ-CD2 3.41Å; F150-H154 WeakPolarHBondContact CZ-CD2 3.37Å; F150-H154 AromaticContact CZ-NE2 3.28Å; F150-H154 VanDerWaalsContact CZ-NE2 3.28Å; F150-H154 WeakPolarHBondContact CZ-NE2 3.45Å; F150-H154 WeakPolarHBondContact O-CB 3.38Å; F150-H154 PolarHBondContact O-CD2 3.46Å; F150-H154 VanDerWaalsContact O-CD2 3.24Å; F150-H154 PolarHBondContact O-N 2.8Å; F150-F176 HydrophobicContact CB-CE2 4.3Å; F150-F176 HydrophobicContact CB-CZ 4.2Å; F150-F176 AromaticContact CD2-CZ 3.9Å; F150-F176 HydrophobicContact CD2-CZ 3.9Å
151H93.4Very high91.1Very high121 Ų12158.9 Ų58.956%0.5629%0.286SS*.Hα-helixtrans-59.9-51177.5-83.9-70.1000112.2I147 L148 S153 H154 E155I147-H151 PolarHBondContact O-CD2 3.05Å; I147-H151 VanDerWaalsContact O-CD2 3.24Å; I147-H151 PolarHBondContact O-N 3.26Å; L148-H151 PolarHBondContact O-N 3.18Å; H151-S153 PolarHBondContact O-N 3.01Å; H151-H154 PolarHBondContact O-N 2.84Å; H151-E155 PolarHBondContact O-N 3.08Å
152V90Very high90.1Very high18 Ų1862.9 Ų62.911%0.10930%0.304CS..Hα-helixtrans-66.2-40-177.1174.50000111.6D93 A96 L148 F149 H154 E155 N158D93-V152 HydrophobicContact CB-CG1 4.27Å; A96-V152 HydrophobicContact CB-CB 4.34Å; A96-V152 HydrophobicContact CB-CG1 3.93Å; A96-V152 HydrophobicContact CB-CG2 3.87Å; L148-V152 WeakPolarHBondContact O-CG2 3.44Å; L148-V152 PolarHBondContact O-N 3.21Å; F149-V152 PolarHBondContact O-N 2.96Å; V152-H154 PolarHBondContact O-N 3.12Å; V152-E155 WeakPolarHBondContact O-CB 3.08Å; V152-E155 PolarHBondContact O-N 3.37Å; V152-N158 WeakPolarHBondContact CG1-ND2 3.45Å; V152-N158 WeakPolarHBondContact O-CB 3.34Å; V152-N158 PolarHBondContact O-ND2 3.33Å; V152-N158 VanDerWaalsContact O-ND2 3.12Å
153S88.8Confident89.1Confident8 Ų864.1 Ų64.16%0.05631%0.312CS..Hα-helixtrans-66.9-21.2177.362.40000113.8Q38 F149 F150 H151Q38-S153 VanDerWaalsContact NE2-CB 3.29Å; F149-S153 WeakPolarHBondContact O-CB 3.26Å; F149-S153 PolarHBondContact O-N 3.4Å; F149-S153 PolarHBondContact O-OG 3.48Å; F150-S153 WeakPolarHBondContact CA-OG 3.35Å; F150-S153 PolarHBondContact O-OG 3.18Å; H151-S153 PolarHBondContact O-N 3.01Å
154H90.1Very high88Confident87 Ų8769.6 Ų69.640%0.40334%0.338SS..Hα-helixtrans-91.3-10.2177.1-89-78.3000113.9F150 H151 V152F150-H154 AromaticContact CD2-CD2 3.68Å; F150-H154 AromaticContact CD2-NE2 3.83Å; F150-H154 AromaticContact CE1-CD2 3.74Å; F150-H154 AromaticContact CE2-CD2 3.38Å; F150-H154 WeakPolarHBondContact CE2-CD2 3.31Å; F150-H154 AromaticContact CE2-NE2 3.12Å; F150-H154 WeakPolarHBondContact CE2-NE2 3.43Å; F150-H154 AromaticContact CZ-CD2 3.41Å; F150-H154 VanDerWaalsContact CZ-CD2 3.41Å; F150-H154 WeakPolarHBondContact CZ-CD2 3.37Å; F150-H154 AromaticContact CZ-NE2 3.28Å; F150-H154 VanDerWaalsContact CZ-NE2 3.28Å; F150-H154 WeakPolarHBondContact CZ-NE2 3.45Å; F150-H154 WeakPolarHBondContact O-CB 3.38Å; F150-H154 PolarHBondContact O-CD2 3.46Å; F150-H154 VanDerWaalsContact O-CD2 3.24Å; F150-H154 PolarHBondContact O-N 2.8Å; H151-H154 PolarHBondContact O-N 2.84Å; V152-H154 PolarHBondContact O-N 3.12Å
155E90.1Very high86.9Confident96 Ų9672.2 Ų72.245%0.44936%0.355SS..SBendtrans-61.4139.7170.8-70.3175.8172.300110H151 V152 E157 N158 R159H151-E155 PolarHBondContact O-N 3.08Å; V152-E155 WeakPolarHBondContact O-CB 3.08Å; V152-E155 PolarHBondContact O-N 3.37Å; E155-E157 VanDerWaalsContact C-N 3.26Å; E155-E157 PolarHBondContact O-N 3.1Å; E155-N158 PolarHBondContact O-N 3.42Å; E155-N158 VanDerWaalsContact O-N 3.09Å; E155-R159 WeakPolarHBondContact O-CB 3.3Å; E155-R159 PolarHBondContact O-N 3.37Å
156F85.5Confident86.2Confident136 Ų13675.3 Ų75.360%0.59637%0.369SS*.Hα-helixtrans-57.6-40.7-169.6175.7-97.3000112.4N158 R159 V160F156-N158 VanDerWaalsContact C-N 3.3Å; F156-N158 PolarHBondContact O-N 2.86Å; F156-R159 PolarHBondContact O-N 2.75Å; F156-V160 HydrophobicContact CD2-CG2 3.88Å; F156-V160 HydrophobicContact CE2-CB 4.42Å; F156-V160 HydrophobicContact CE2-CG2 3.67Å; F156-V160 HydrophobicContact CG-CG2 4.5Å; F156-V160 HydrophobicContact CZ-CB 4.4Å; F156-V160 HydrophobicContact CZ-CG1 4.44Å; F156-V160 HydrophobicContact CZ-CG2 4.12Å; F156-V160 VanDerWaalsContact O-CB 3.28Å; F156-V160 WeakPolarHBondContact O-CB 3.27Å; F156-V160 WeakPolarHBondContact O-CG2 3.29Å; F156-V160 PolarHBondContact O-N 2.93Å
157E83.1Confident85.6Confident161 Ų16179.8 Ų79.875%0.75239%0.391SS*.Hα-helixtrans-64.3-35-179.2-58.9-176.9175.100112.3E155E155-E157 VanDerWaalsContact C-N 3.26Å; E155-E157 PolarHBondContact O-N 3.1Å
158N82.5Confident85.1Confident19 Ų1976.1 Ų76.110%0.10237%0.371CS..Hα-helixtrans-85.7-30.1178.7-69.3-42.8000112.5D93 V152 E155 F156 V160 Q170D93-N158 PolarHBondContact OD2-ND2 3.48Å; D93-N158 PolarHBondContact OD2-OD1 3.36Å; V152-N158 WeakPolarHBondContact CG1-ND2 3.45Å; V152-N158 WeakPolarHBondContact O-CB 3.34Å; V152-N158 PolarHBondContact O-ND2 3.33Å; V152-N158 VanDerWaalsContact O-ND2 3.12Å; E155-N158 PolarHBondContact O-N 3.42Å; E155-N158 VanDerWaalsContact O-N 3.09Å; F156-N158 VanDerWaalsContact C-N 3.3Å; F156-N158 PolarHBondContact O-N 2.86Å; N158-V160 VanDerWaalsContact C-N 3.34Å; N158-Q170 PolarHBondContact O-OE1 2.87Å; N158-Q170 VanDerWaalsContact O-OE1 3.04Å
159R85.6Confident84.7Confident112 Ų11280 Ų8042%0.42339%0.388SS..Hα-helixtrans-75.4-25.7178.1-164.2-179.787.7-172.98112.4E155 F156 Q170E155-R159 WeakPolarHBondContact O-CB 3.3Å; E155-R159 PolarHBondContact O-N 3.37Å; F156-R159 PolarHBondContact O-N 2.75Å; R159-Q170 PolarHBondContact O-N 2.95Å
160V83.3Confident84.5Confident17 Ų1780.8 Ų80.810%0.10339%0.392CS..EExtended strand (participates in β ladder)trans-116113.6-169.5178.90000110.7F156 N158 I167F156-V160 HydrophobicContact CD2-CG2 3.88Å; F156-V160 HydrophobicContact CE2-CB 4.42Å; F156-V160 HydrophobicContact CE2-CG2 3.67Å; F156-V160 HydrophobicContact CG-CG2 4.5Å; F156-V160 HydrophobicContact CZ-CB 4.4Å; F156-V160 HydrophobicContact CZ-CG1 4.44Å; F156-V160 HydrophobicContact CZ-CG2 4.12Å; F156-V160 VanDerWaalsContact O-CB 3.28Å; F156-V160 WeakPolarHBondContact O-CB 3.27Å; F156-V160 WeakPolarHBondContact O-CG2 3.29Å; F156-V160 PolarHBondContact O-N 2.93Å; N158-V160 VanDerWaalsContact C-N 3.34Å; V160-I167 HydrophobicContact CB-CG2 4.5Å; V160-I167 HydrophobicContact CG1-CG2 3.14Å
161L77.1Confident84.4Confident52 Ų5282.3 Ų82.327%0.27240%0.399SS..EExtended strand (participates in β ladder)trans-97.9115.1173.2-17566.8000110V40 S163 Y168 Q170V40-L161 HydrophobicContact CG1-CD2 4.19Å; V40-L161 HydrophobicContact CG2-CD2 4.31Å; L161-S163 PolarHBondContact O-N 3.19Å; L161-Y168 PolarHBondContact N-O 3.44Å; L161-Y168 PolarHBondContact O-N 3.16Å; L161-Q170 HydrophobicContact CB-CG 4.35Å
162H78Confident84.3Confident125 Ų12578.5 Ų78.558%0.57938%0.384SS*.EExtended strand (participates in β ladder)trans-80.7115.9168.7-70.8-84.9000109.7
163S74.9Confident84.5Confident27 Ų2778 Ų7819%0.18938%0.382CS..EExtended strand (participates in β ladder)trans-125.2115.3174.8-178.20000109.4L161 T165 E166L161-S163 PolarHBondContact O-N 3.19Å; S163-T165 PolarHBondContact O-N 3.3Å; S163-E166 PolarHBondContact N-O 3.4Å; S163-E166 PolarHBondContact O-N 3.47Å; S163-E166 VanDerWaalsContact O-O 3.13Å
164L75.6Confident84.8Confident153 Ų15383 Ų8380%0.80140%0.4SS*.THydrogen-bonded Turntrans55.2-100.3-177.4-60.7159.1000111.4L45L45-L164 HydrophobicContact CD2-CD1 4.39Å
165T74.7Confident85.1Confident133 Ų13378.9 Ų78.982%0.81638%0.381SS*.THydrogen-bonded Turntrans-110.5-11.4-177.654.10000113.4S163S163-T165 PolarHBondContact O-N 3.3Å
166E81.5Confident85.4Confident65 Ų6574.6 Ų74.630%0.30436%0.361SS..EExtended strand (participates in β ladder)trans-112.5152.4-173.3-73-173.3-179.500112.2Q44 S163 Y168Q44-E166 HydrophobicContact CG-CG 4.42Å; Q44-E166 WeakPolarHBondContact CG-OE2 3.47Å; Q44-E166 PolarHBondContact NE2-OE1 2.7Å; S163-E166 PolarHBondContact N-O 3.4Å; S163-E166 PolarHBondContact O-N 3.47Å; S163-E166 VanDerWaalsContact O-O 3.13Å; E166-Y168 HydrophobicContact CB-CD2 4.44Å; E166-Y168 HydrophobicContact CB-CE2 3.72Å; E166-Y168 VanDerWaalsContact OE2-CZ 3.29Å; E166-Y168 PolarHBondContact OE2-OH 3.17Å
167I84.9Confident86Confident112 Ų11275.6 Ų75.657%0.57436%0.361SS*.EExtended strand (participates in β ladder)trans-106.1115.6-179.7-56.4-175.5000107.2V160V160-I167 HydrophobicContact CB-CG2 4.5Å; V160-I167 HydrophobicContact CG1-CG2 3.14Å
168Y85.2Confident86.7Confident17 Ų1770.1 Ų70.17%0.06734%0.337CS..EExtended strand (participates in β ladder)trans-103.1132.2177.4-66.4-81.4000110.3N41 V42 T43 Q44 L161 E166N41-Y168 WeakPolarHBondContact O-CD1 3.43Å; V42-Y168 HydrophobicContact CB-CE2 4.42Å; V42-Y168 HydrophobicContact CG1-CD2 4.13Å; V42-Y168 HydrophobicContact CG1-CE1 4.41Å; V42-Y168 HydrophobicContact CG1-CE2 3.62Å; V42-Y168 HydrophobicContact CG2-CD2 4.36Å; V42-Y168 HydrophobicContact CG2-CG 4.42Å; T43-Y168 WeakPolarHBondContact OG1-CE1 3.37Å; T43-Y168 PolarHBondContact OG1-OH 3.41Å; Q44-Y168 VanDerWaalsContact CB-OH 3.29Å; Q44-Y168 WeakPolarHBondContact CB-OH 3.42Å; Q44-Y168 WeakPolarHBondContact CG-OH 3.31Å; Q44-Y168 PolarHBondContact N-OH 3.22Å; Q44-Y168 VanDerWaalsContact N-OH 3.1Å; L161-Y168 PolarHBondContact N-O 3.44Å; L161-Y168 PolarHBondContact O-N 3.16Å; E166-Y168 HydrophobicContact CB-CD2 4.44Å; E166-Y168 HydrophobicContact CB-CE2 3.72Å; E166-Y168 VanDerWaalsContact OE2-CZ 3.29Å; E166-Y168 PolarHBondContact OE2-OH 3.17Å
169E87Confident87.4Confident119 Ų11969.3 Ų69.356%0.55633%0.333SS*.EExtended strand (participates in β ladder)trans-80.8126.9171.852.8172.6-163.600110.8K171E169-K171 WeakPolarHBondContact OE1-CE 3.31Å; E169-K171 IonicContact OE1-NZ 2.76Å; E169-K171 PolarHBondContact OE1-NZ 3.03Å
170Q89.2Confident87.9Confident29 Ų2965.9 Ų65.914%0.13632%0.324CS..PPolyproline II helixtrans-81.7130.2168.9-55.8-165.87.500109.2V40 N158 R159 L161V40-Q170 HydrophobicContact CB-CG 4.19Å; V40-Q170 HydrophobicContact CG2-CG 4.38Å; N158-Q170 PolarHBondContact O-OE1 2.87Å; N158-Q170 VanDerWaalsContact O-OE1 3.04Å; R159-Q170 PolarHBondContact O-N 2.95Å; L161-Q170 HydrophobicContact CB-CG 4.35Å
171K91.7Very high88.6Confident121 Ų12167.1 Ų67.153%0.52633%0.333SS..EExtended strand (participates in β ladder)trans-107.5151.9178-69.2-178.8178.5165.70110.1Q38 V39 E169 G173Q38-K171 CarbonylContact C-O 3.58Å; Q38-K171 VanDerWaalsContact CA-O 3.3Å; Q38-K171 WeakPolarHBondContact CA-O 3.11Å; V39-K171 HydrophobicContact CG2-CB 4.15Å; V39-K171 PolarHBondContact N-O 3.41Å; V39-K171 PolarHBondContact O-N 3.17Å; E169-K171 WeakPolarHBondContact OE1-CE 3.31Å; E169-K171 IonicContact OE1-NZ 2.76Å; E169-K171 PolarHBondContact OE1-NZ 3.03Å; K171-G173 PolarHBondContact O-N 2.84Å
172V92.4Very high89.6Confident42 Ų4264.6 Ų64.626%0.25532%0.32SS..EExtended strand (participates in β ladder)trans-71.7126.8173.6-1780000109.1F176V172-F176 HydrophobicContact CG1-CB 3.39Å; V172-F176 HydrophobicContact CG1-CD1 3.15Å; V172-F176 HydrophobicContact CG1-CD2 4.19Å; V172-F176 HydrophobicContact CG1-CE1 3.89Å; V172-F176 HydrophobicContact CG1-CG 3.3Å
173G93.5Very high90.5Very high6 Ų659 Ų596%0.06230%0.295CS..  trans-89.4-177.9-177.300000113.7A36 W37 K171 S175 W177A36-G173 CarbonylContact O-C 3.53Å; A36-G173 WeakPolarHBondContact O-CA 2.92Å; W37-G173 PolarHBondContact O-N 3.44Å; K171-G173 PolarHBondContact O-N 2.84Å; G173-S175 VanDerWaalsContact C-N 3.33Å; G173-S175 PolarHBondContact O-N 2.87Å; G173-W177 VanDerWaalsContact O-CD1 3.26Å
174Y96Very high91.6Very high114 Ų11460.3 Ų60.345%0.44731%0.308SS..Hα-helixtrans-68.7-29.3-174.670.9-98.5000113.3T34 A36 F176 W177 L178T34-Y174 HydrophobicContact CG2-CE2 4.16Å; A36-Y174 HydrophobicContact CB-CD1 3.38Å; A36-Y174 HydrophobicContact CB-CE1 3.04Å; A36-Y174 HydrophobicContact CB-CE2 4.24Å; A36-Y174 HydrophobicContact CB-CG 4.11Å; A36-Y174 PolarHBondContact O-N 3.36Å; A36-Y174 VanDerWaalsContact O-N 3.17Å; Y174-F176 VanDerWaalsContact C-N 3.28Å; Y174-F176 PolarHBondContact O-N 3.23Å; Y174-W177 WeakPolarHBondContact O-CB 3.43Å; Y174-W177 PolarHBondContact O-N 3.14Å; Y174-L178 HydrophobicContact CD2-CD1 3.91Å; Y174-L178 HydrophobicContact CD2-CG 4.46Å; Y174-L178 HydrophobicContact CE2-CD1 4.15Å; Y174-L178 PolarHBondContact O-N 3.16Å
175S96.2Very high92.7Very high0 Ų055 Ų550%028%0.28CS..Hα-helixtrans-64.3-35.5-177.7-560000111.8T34 A36 G173 L178 A179T34-S175 VanDerWaalsContact CB-OG 3.29Å; T34-S175 WeakPolarHBondContact CB-OG 3.5Å; T34-S175 PolarHBondContact O-OG 2.77Å; T34-S175 WeakPolarHBondContact OG1-CB 3.5Å; T34-S175 PolarHBondContact OG1-OG 3.09Å; A36-S175 VanDerWaalsContact C-CB 3.48Å; A36-S175 WeakPolarHBondContact CA-OG 3.18Å; A36-S175 WeakPolarHBondContact CB-OG 2.88Å; A36-S175 PolarHBondContact N-OG 3.41Å; A36-S175 VanDerWaalsContact N-OG 3.12Å; A36-S175 VanDerWaalsContact O-CB 3.27Å; A36-S175 WeakPolarHBondContact O-CB 2.97Å; A36-S175 PolarHBondContact O-N 3.01Å; A36-S175 PolarHBondContact O-OG 3.14Å; G173-S175 VanDerWaalsContact C-N 3.33Å; G173-S175 PolarHBondContact O-N 2.87Å; S175-L178 WeakPolarHBondContact O-CB 3.28Å; S175-L178 PolarHBondContact O-N 3.34Å; S175-A179 PolarHBondContact O-N 2.66Å; S175-A179 VanDerWaalsContact O-N 3.1Å
176F96.2Very high93.8Very high7 Ų748.6 Ų48.63%0.03124%0.241CC..Hα-helixtrans-61-45171.1172.4-95.8000111.3W37 V146 F149 F150 V172 Y174 L178 A179 V180W37-F176 HydrophobicContact CD2-CB 4.38Å; W37-F176 HydrophobicContact CE3-CB 3.86Å; W37-F176 AromaticContact CE3-CD2 3.93Å; W37-F176 HydrophobicContact CE3-CD2 3.93Å; W37-F176 HydrophobicContact CE3-CG 4.42Å; W37-F176 HydrophobicContact CZ3-CB 4.27Å; W37-F176 AromaticContact CZ3-CD2 3.78Å; W37-F176 HydrophobicContact CZ3-CD2 3.78Å; W37-F176 HydrophobicContact CZ3-CG 4.49Å; V146-F176 HydrophobicContact CG1-CE2 3.93Å; V146-F176 HydrophobicContact CG1-CZ 4.01Å; F149-F176 AromaticContact CD1-CD2 3.47Å; F149-F176 HydrophobicContact CD1-CD2 3.47Å; F149-F176 VanDerWaalsContact CD1-CD2 3.47Å; F149-F176 AromaticContact CD1-CE2 3.79Å; F149-F176 HydrophobicContact CD1-CE2 3.79Å; F149-F176 HydrophobicContact CD1-CG 4.49Å; F149-F176 AromaticContact CE1-CD2 3.92Å; F149-F176 HydrophobicContact CE1-CD2 3.92Å; F149-F176 HydrophobicContact CG-CD2 4.42Å; F150-F176 HydrophobicContact CB-CE2 4.3Å; F150-F176 HydrophobicContact CB-CZ 4.2Å; F150-F176 AromaticContact CD2-CZ 3.9Å; F150-F176 HydrophobicContact CD2-CZ 3.9Å; V172-F176 HydrophobicContact CG1-CB 3.39Å; V172-F176 HydrophobicContact CG1-CD1 3.15Å; V172-F176 HydrophobicContact CG1-CD2 4.19Å; V172-F176 HydrophobicContact CG1-CE1 3.89Å; V172-F176 HydrophobicContact CG1-CG 3.3Å; Y174-F176 VanDerWaalsContact C-N 3.28Å; Y174-F176 PolarHBondContact O-N 3.23Å; F176-L178 VanDerWaalsContact C-N 3.31Å; F176-L178 PolarHBondContact O-N 2.94Å; F176-A179 WeakPolarHBondContact O-CB 3.3Å; F176-A179 PolarHBondContact O-N 3.03Å; F176-A179 VanDerWaalsContact O-N 3.08Å; F176-V180 HydrophobicContact CD1-CG2 3.82Å; F176-V180 HydrophobicContact CE1-CG2 3.43Å; F176-V180 VanDerWaalsContact CE1-CG2 3.43Å; F176-V180 HydrophobicContact CE2-CG2 4.15Å; F176-V180 HydrophobicContact CG-CG2 4.38Å; F176-V180 HydrophobicContact CZ-CG2 3.61Å; F176-V180 WeakPolarHBondContact O-CG2 3.44Å; F176-V180 PolarHBondContact O-N 3.44Å
177W97.5Very high94.5Very high157 Ų15748.1 Ų48.160%0.59524%0.243SC*.Hα-helixtrans-66.7-30.7178.2-67.5108.2000113.1G173 Y174 V180 S181G173-W177 VanDerWaalsContact O-CD1 3.26Å; Y174-W177 WeakPolarHBondContact O-CB 3.43Å; Y174-W177 PolarHBondContact O-N 3.14Å; W177-V180 HydrophobicContact CE3-CB 4.36Å; W177-V180 HydrophobicContact CE3-CG1 4.33Å; W177-V180 HydrophobicContact CE3-CG2 4.42Å; W177-V180 HydrophobicContact CZ3-CG1 4.48Å; W177-V180 PolarHBondContact O-N 3.12Å; W177-S181 WeakPolarHBondContact O-CB 3.35Å; W177-S181 PolarHBondContact O-N 2.94Å; W177-S181 PolarHBondContact O-OG 2.85Å
178L97.1Very high95.1Very high46 Ų4646.6 Ų46.624%0.24124%0.235CC..Hα-helixtrans-62.7-42.4168.9-66.6175.2000111.3L27 Y174 S175 F176 S181 G182L27-L178 HydrophobicContact CD2-CD2 3.79Å; Y174-L178 HydrophobicContact CD2-CD1 3.91Å; Y174-L178 HydrophobicContact CD2-CG 4.46Å; Y174-L178 HydrophobicContact CE2-CD1 4.15Å; Y174-L178 PolarHBondContact O-N 3.16Å; S175-L178 WeakPolarHBondContact O-CB 3.28Å; S175-L178 PolarHBondContact O-N 3.34Å; F176-L178 VanDerWaalsContact C-N 3.31Å; F176-L178 PolarHBondContact O-N 2.94Å; L178-S181 WeakPolarHBondContact CA-OG 3.25Å; L178-S181 PolarHBondContact O-OG 3.42Å; L178-G182 PolarHBondContact O-N 3.29Å
179A96.9Very high95.7Very high1 Ų145.8 Ų45.81%0.00823%0.232CC..Hα-helixtrans-67.9-41.3175.800000112.6W37 V146 S175 F176 G182 A183W37-A179 HydrophobicContact CH2-CB 3.36Å; W37-A179 HydrophobicContact CZ2-CB 3.8Å; W37-A179 HydrophobicContact CZ3-CB 4.24Å; V146-A179 HydrophobicContact CG2-CB 4.2Å; S175-A179 PolarHBondContact O-N 2.66Å; S175-A179 VanDerWaalsContact O-N 3.1Å; F176-A179 WeakPolarHBondContact O-CB 3.3Å; F176-A179 PolarHBondContact O-N 3.03Å; F176-A179 VanDerWaalsContact O-N 3.08Å; A179-G182 PolarHBondContact O-N 2.86Å; A179-A183 PolarHBondContact O-N 3.3Å
180V97.6Very high96.1Very high41 Ų4141.5 Ų41.525%0.24821%0.212CC..Hα-helixtrans-59.8-47.1174.8172.50000111V146 F176 W177 A183 A184V146-V180 HydrophobicContact CG1-CG2 3.58Å; F176-V180 HydrophobicContact CD1-CG2 3.82Å; F176-V180 HydrophobicContact CE1-CG2 3.43Å; F176-V180 VanDerWaalsContact CE1-CG2 3.43Å; F176-V180 HydrophobicContact CE2-CG2 4.15Å; F176-V180 HydrophobicContact CG-CG2 4.38Å; F176-V180 HydrophobicContact CZ-CG2 3.61Å; F176-V180 WeakPolarHBondContact O-CG2 3.44Å; F176-V180 PolarHBondContact O-N 3.44Å; W177-V180 HydrophobicContact CE3-CB 4.36Å; W177-V180 HydrophobicContact CE3-CG1 4.33Å; W177-V180 HydrophobicContact CE3-CG2 4.42Å; W177-V180 HydrophobicContact CZ3-CG1 4.48Å; W177-V180 PolarHBondContact O-N 3.12Å; V180-A183 PolarHBondContact O-N 2.77Å; V180-A184 PolarHBondContact O-N 3.18Å
181S97.6Very high96.5Very high42 Ų4244.5 Ų44.529%0.29423%0.229SC..Hα-helixtrans-65.1-39.5177.855.60000111.8W177 L178 A184 L185W177-S181 WeakPolarHBondContact O-CB 3.35Å; W177-S181 PolarHBondContact O-N 2.94Å; W177-S181 PolarHBondContact O-OG 2.85Å; L178-S181 WeakPolarHBondContact CA-OG 3.25Å; L178-S181 PolarHBondContact O-OG 3.42Å; S181-A184 PolarHBondContact O-N 3.36Å; S181-L185 WeakPolarHBondContact O-CG 3.24Å; S181-L185 PolarHBondContact O-N 2.86Å
182G97.6Very high96.7Very high0 Ų040.2 Ų40.20%021%0.211CC..Hα-helixtrans-56.5-47.9170.100000112.8L178 A179 A184 L185 F186L178-G182 PolarHBondContact O-N 3.29Å; A179-G182 PolarHBondContact O-N 2.86Å; G182-A184 PolarHBondContact O-N 3.4Å; G182-L185 PolarHBondContact O-N 2.8Å; G182-F186 VanDerWaalsContact O-CD2 3.29Å; G182-F186 WeakPolarHBondContact O-CD2 3.35Å; G182-F186 PolarHBondContact O-N 2.86Å
183A97.5Very high96.7Very high6 Ų638.4 Ų38.45%0.0520%0.2CC..Hα-helixtrans-61.2-44.1176.600000112.4V146 A179 V180 L185 F186 V187V146-A183 HydrophobicContact CG2-CB 4.41Å; A179-A183 PolarHBondContact O-N 3.3Å; V180-A183 PolarHBondContact O-N 2.77Å; A183-L185 VanDerWaalsContact C-N 3.3Å; A183-L185 PolarHBondContact O-N 2.76Å; A183-F186 WeakPolarHBondContact O-CB 3.3Å; A183-F186 PolarHBondContact O-N 3.04Å; A183-F186 VanDerWaalsContact O-N 3.17Å; A183-V187 WeakPolarHBondContact O-CG2 3.32Å; A183-V187 PolarHBondContact O-N 2.87Å; A183-V187 VanDerWaalsContact O-N 3.09Å
184A98Very high96.8Very high56 Ų5641.5 Ų41.546%0.46322%0.218SC..Hα-helixtrans-61.8-37.8176.100000112.4V180 S181 G182 V187 L188V180-A184 PolarHBondContact O-N 3.18Å; S181-A184 PolarHBondContact O-N 3.36Å; G182-A184 PolarHBondContact O-N 3.4Å; A184-V187 WeakPolarHBondContact O-CB 3.31Å; A184-V187 PolarHBondContact O-N 3.22Å; A184-L188 PolarHBondContact O-N 3.3Å
185L98.1Very high96.6Very high40 Ų4040.2 Ų40.221%0.20922%0.218CC..Hα-helixtrans-69.8-33.7174.8-68.3178.4000112.6L20 V23 A24 L27 S181 G182 A183 V187 L188 C189L20-L185 HydrophobicContact CD2-CD2 3.96Å; V23-L185 HydrophobicContact CB-CD1 4.25Å; V23-L185 HydrophobicContact CG1-CD1 3.65Å; A24-L185 HydrophobicContact CB-CB 3.75Å; L27-L185 HydrophobicContact CD1-CD1 3.66Å; S181-L185 WeakPolarHBondContact O-CG 3.24Å; S181-L185 PolarHBondContact O-N 2.86Å; G182-L185 PolarHBondContact O-N 2.8Å; A183-L185 VanDerWaalsContact C-N 3.3Å; A183-L185 PolarHBondContact O-N 2.76Å; L185-V187 VanDerWaalsContact C-N 3.33Å; L185-L188 PolarHBondContact O-N 2.84Å; L185-C189 WeakPolarHBondContact O-CB 3.14Å; L185-C189 PolarHBondContact O-N 2.93Å
186F97.4Very high96.4Very high0 Ų040.3 Ų40.30%022%0.219CC..Hα-helixtrans-61-41.8170.2-76.6-57.6000111.6M21 A24 V25 C138 M139 G182 A183 C189 L190M21-F186 HydrophobicContact CE-CE1 4.24Å; M21-F186 HydrophobicContact SD-CD1 3.75Å; M21-F186 HydrophobicContact SD-CE1 3.5Å; M21-F186 WeakPolarHBondContact SD-CE1 3.5Å; A24-F186 HydrophobicContact CB-CD1 3.95Å; A24-F186 HydrophobicContact CB-CD2 4.21Å; A24-F186 HydrophobicContact CB-CE1 3.87Å; A24-F186 HydrophobicContact CB-CE2 4.13Å; A24-F186 HydrophobicContact CB-CG 4.11Å; A24-F186 HydrophobicContact CB-CZ 3.96Å; V25-F186 HydrophobicContact CG2-CE1 4.15Å; V25-F186 HydrophobicContact CG2-CZ 3.93Å; C138-F186 HydrophobicContact CB-CD1 4.22Å; C138-F186 HydrophobicContact CB-CE1 4.1Å; C138-F186 HydrophobicContact CB-CZ 4.45Å; M139-F186 HydrophobicContact CB-CB 4.1Å; M139-F186 HydrophobicContact CG-CB 4.44Å; G182-F186 VanDerWaalsContact O-CD2 3.29Å; G182-F186 WeakPolarHBondContact O-CD2 3.35Å; G182-F186 PolarHBondContact O-N 2.86Å; A183-F186 WeakPolarHBondContact O-CB 3.3Å; A183-F186 PolarHBondContact O-N 3.04Å; A183-F186 VanDerWaalsContact O-N 3.17Å; F186-C189 PolarHBondContact O-N 3.04Å; F186-L190 WeakPolarHBondContact O-CB 3.45Å; F186-L190 PolarHBondContact O-N 2.76Å
187V97.5Very high96.1Very high55 Ų5540.6 Ų40.633%0.33322%0.223SC..Hα-helixtrans-59.9-49.6175.1176.20000110.8M139 A183 A184 L185 C189 L190 I191M139-V187 HydrophobicContact CG-CG2 3.71Å; M139-V187 HydrophobicContact SD-CB 4.37Å; M139-V187 HydrophobicContact SD-CG2 3.81Å; A183-V187 WeakPolarHBondContact O-CG2 3.32Å; A183-V187 PolarHBondContact O-N 2.87Å; A183-V187 VanDerWaalsContact O-N 3.09Å; A184-V187 WeakPolarHBondContact O-CB 3.31Å; A184-V187 PolarHBondContact O-N 3.22Å; L185-V187 VanDerWaalsContact C-N 3.33Å; V187-C189 VanDerWaalsContact C-N 3.34Å; V187-C189 PolarHBondContact O-N 2.87Å; V187-L190 WeakPolarHBondContact O-CB 3.04Å; V187-L190 PolarHBondContact O-N 2.9Å; V187-I191 HydrophobicContact CG1-CD1 4.28Å; V187-I191 WeakPolarHBondContact O-CG1 3.1Å; V187-I191 PolarHBondContact O-N 3.13Å; V187-I191 VanDerWaalsContact O-N 3.07Å
188L97.4Very high95.7Very high80 Ų8036.3 Ų36.342%0.41921%0.213SC..Hα-helixtrans-62.4-42.8178.7-175.958.3000111.8L20 A184 L185 L190 I191 L192L20-L188 HydrophobicContact CD1-CD2 3.96Å; L20-L188 HydrophobicContact CD1-CG 3.9Å; L20-L188 HydrophobicContact CD2-CD2 4.35Å; A184-L188 PolarHBondContact O-N 3.3Å; L185-L188 PolarHBondContact O-N 2.84Å; L188-L190 VanDerWaalsContact C-N 3.31Å; L188-L190 PolarHBondContact O-N 3.09Å; L188-I191 PolarHBondContact O-N 3.38Å; L188-L192 PolarHBondContact O-N 2.76Å; L188-L192 VanDerWaalsContact O-N 3.1Å
189C97Very high95.3Very high0 Ų036.4 Ų36.40%021%0.214CC..Hα-helixtrans-59.9-41.7175.8-1750000111.2A17 L20 N135 L185 F186 V187 L192 N193A17-C189 PolarHBondContact O-SG 3.2Å; L20-C189 HydrophobicContact CB-CB 4.16Å; N135-C189 PolarHBondContact ND2-SG 3.08Å; L185-C189 WeakPolarHBondContact O-CB 3.14Å; L185-C189 PolarHBondContact O-N 2.93Å; F186-C189 PolarHBondContact O-N 3.04Å; V187-C189 VanDerWaalsContact C-N 3.34Å; V187-C189 PolarHBondContact O-N 2.87Å; C189-L192 PolarHBondContact O-N 2.9Å; C189-N193 WeakPolarHBondContact O-CB 3.3Å; C189-N193 VanDerWaalsContact O-CG 3.26Å; C189-N193 PolarHBondContact O-N 3.5Å; C189-N193 PolarHBondContact O-OD1 2.04Å
190L96.1Very high94.8Very high28 Ų2836.7 Ų36.715%0.14722%0.216CC..Hα-helixtrans-62.8-43.7177-179.164000111.5N135 A136 M139 F186 V187 L188 L192 N193 V194N135-L190 HydrophobicContact CB-CD1 4.49Å; N135-L190 PolarHBondContact ND2-N 3.32Å; A136-L190 HydrophobicContact CB-CD1 3.92Å; A136-L190 HydrophobicContact CB-CD2 4.14Å; M139-L190 HydrophobicContact CE-CD2 3.78Å; M139-L190 HydrophobicContact SD-CB 4.48Å; M139-L190 HydrophobicContact SD-CD2 3.45Å; M139-L190 WeakPolarHBondContact SD-CD2 3.46Å; F186-L190 WeakPolarHBondContact O-CB 3.45Å; F186-L190 PolarHBondContact O-N 2.76Å; V187-L190 WeakPolarHBondContact O-CB 3.04Å; V187-L190 PolarHBondContact O-N 2.9Å; L188-L190 VanDerWaalsContact C-N 3.31Å; L188-L190 PolarHBondContact O-N 3.09Å; L190-L192 PolarHBondContact O-N 2.88Å; L190-N193 PolarHBondContact O-N 2.9Å; L190-V194 HydrophobicContact CD1-CG2 4.08Å; L190-V194 HydrophobicContact CG-CG2 4.34Å; L190-V194 WeakPolarHBondContact O-CB 3.29Å; L190-V194 VanDerWaalsContact O-CG2 3.31Å; L190-V194 WeakPolarHBondContact O-CG2 3.44Å; L190-V194 PolarHBondContact O-N 2.62Å
191I96.5Very high94.2Very high92 Ų9239.9 Ų39.947%0.47222%0.224SC..Hα-helixtrans-58.4-49.4177.1-66.1166.7000110.2V187 L188 N193 V194 L195V187-I191 HydrophobicContact CG1-CD1 4.28Å; V187-I191 WeakPolarHBondContact O-CG1 3.1Å; V187-I191 PolarHBondContact O-N 3.13Å; V187-I191 VanDerWaalsContact O-N 3.07Å; L188-I191 PolarHBondContact O-N 3.38Å; I191-N193 VanDerWaalsContact C-N 3.35Å; I191-N193 PolarHBondContact O-N 2.87Å; I191-V194 PolarHBondContact O-N 3.43Å; I191-L195 HydrophobicContact CG2-CD1 4.08Å; I191-L195 VanDerWaalsContact O-CG 3.28Å; I191-L195 WeakPolarHBondContact O-CG 3.19Å; I191-L195 PolarHBondContact O-N 2.99Å
192L96Very high93.6Very high32 Ų3244.2 Ų44.217%0.16824%0.243CC..Hα-helixtrans-63.9-38.8178.2-63-173.1000112.4L13 A16 A17 L20 L188 C189 L190 L195 C196L13-L192 HydrophobicContact CD2-CD2 4.03Å; A16-L192 HydrophobicContact CB-CD1 4.23Å; A17-L192 HydrophobicContact CB-CB 3.85Å; A17-L192 HydrophobicContact CB-CD1 4.42Å; L20-L192 HydrophobicContact CD1-CD1 3.6Å; L188-L192 PolarHBondContact O-N 2.76Å; L188-L192 VanDerWaalsContact O-N 3.1Å; C189-L192 PolarHBondContact O-N 2.9Å; L190-L192 PolarHBondContact O-N 2.88Å; L192-L195 PolarHBondContact O-N 3Å; L192-C196 WeakPolarHBondContact O-CB 3.36Å; L192-C196 PolarHBondContact O-N 2.93Å
193N93.9Very high92.5Very high4 Ų448.3 Ų48.32%0.02126%0.263CS..Hα-helixtrans-64.1-44.2177.2-78.9-1.8000112.3A17 W131 A132 N135 C189 L190 I191 C196 A197A17-N193 WeakPolarHBondContact CB-OD1 3.25Å; W131-N193 WeakPolarHBondContact CH2-OD1 3.44Å; W131-N193 WeakPolarHBondContact CZ3-OD1 3.05Å; A132-N193 HydrophobicContact CB-CB 4.43Å; N135-N193 PolarHBondContact ND2-ND2 2.8Å; N135-N193 VanDerWaalsContact ND2-ND2 3.14Å; C189-N193 WeakPolarHBondContact O-CB 3.3Å; C189-N193 VanDerWaalsContact O-CG 3.26Å; C189-N193 PolarHBondContact O-N 3.5Å; C189-N193 PolarHBondContact O-OD1 2.04Å; L190-N193 PolarHBondContact O-N 2.9Å; I191-N193 VanDerWaalsContact C-N 3.35Å; I191-N193 PolarHBondContact O-N 2.87Å; N193-C196 PolarHBondContact O-N 2.86Å; N193-A197 WeakPolarHBondContact O-CB 3.36Å; N193-A197 PolarHBondContact O-N 2.84Å
194V93.9Very high90.9Very high70 Ų7052.1 Ų52.142%0.42429%0.287SS..Hα-helixtrans-63.9-45.6176.91710000110.2L190 I191 C196 A197 V198L190-V194 HydrophobicContact CD1-CG2 4.08Å; L190-V194 HydrophobicContact CG-CG2 4.34Å; L190-V194 WeakPolarHBondContact O-CB 3.29Å; L190-V194 VanDerWaalsContact O-CG2 3.31Å; L190-V194 WeakPolarHBondContact O-CG2 3.44Å; L190-V194 PolarHBondContact O-N 2.62Å; I191-V194 PolarHBondContact O-N 3.43Å; V194-C196 VanDerWaalsContact C-N 3.32Å; V194-C196 PolarHBondContact O-N 3.1Å; V194-A197 PolarHBondContact O-N 3.35Å; V194-V198 HydrophobicContact CG1-CG2 4.32Å; V194-V198 WeakPolarHBondContact O-CB 3.06Å; V194-V198 VanDerWaalsContact O-CG2 3.26Å; V194-V198 WeakPolarHBondContact O-CG2 3.14Å; V194-V198 PolarHBondContact O-N 2.81Å
195L93.1Very high89Confident88 Ų8852 Ų5246%0.46128%0.283SS..Hα-helixtrans-59.2-43.5175.3-70173.1000111.7I191 L192 V198 L199I191-L195 HydrophobicContact CG2-CD1 4.08Å; I191-L195 VanDerWaalsContact O-CG 3.28Å; I191-L195 WeakPolarHBondContact O-CG 3.19Å; I191-L195 PolarHBondContact O-N 2.99Å; L192-L195 PolarHBondContact O-N 3Å; L195-V198 PolarHBondContact O-N 3.12Å; L195-L199 WeakPolarHBondContact O-CG 3.49Å; L195-L199 PolarHBondContact O-N 3.39Å
196C91.1Very high86.9Confident1 Ų156.4 Ų56.41%0.00731%0.312CS..Hα-helixtrans-62.1-45.9176.1-172.20000111.8L13 L192 N193 V194 L199 V200L13-C196 HydrophobicContact CB-CB 4.43Å; L192-C196 WeakPolarHBondContact O-CB 3.36Å; L192-C196 PolarHBondContact O-N 2.93Å; N193-C196 PolarHBondContact O-N 2.86Å; V194-C196 VanDerWaalsContact C-N 3.32Å; V194-C196 PolarHBondContact O-N 3.1Å; C196-L199 PolarHBondContact O-N 2.92Å; C196-V200 VanDerWaalsContact O-CG2 3.32Å; C196-V200 WeakPolarHBondContact O-CG2 3.46Å; C196-V200 PolarHBondContact O-N 3.39Å
197A89.7Confident84.7Confident14 Ų1463.5 Ų63.512%0.11635%0.345CS..Hα-helixtrans-61.9-44.9177.100000111.6N193 V194 L199 V200 Y201N193-A197 WeakPolarHBondContact O-CB 3.36Å; N193-A197 PolarHBondContact O-N 2.84Å; V194-A197 PolarHBondContact O-N 3.35Å; A197-L199 VanDerWaalsContact C-N 3.35Å; A197-L199 PolarHBondContact O-N 3.31Å; A197-V200 WeakPolarHBondContact O-CB 3.47Å; A197-V200 PolarHBondContact O-N 2.77Å; A197-V200 VanDerWaalsContact O-N 3.12Å; A197-Y201 WeakPolarHBondContact O-CD2 3.21Å; A197-Y201 PolarHBondContact O-N 3.19Å; A197-Y201 VanDerWaalsContact O-N 3.07Å
198V89.9Confident82.3Confident66 Ų6666.1 Ų66.140%0.436%0.361SS..Hα-helixtrans-58.1-46.4175.8169.40000110.8V194 L195 V200 Y201 L202V194-V198 HydrophobicContact CG1-CG2 4.32Å; V194-V198 WeakPolarHBondContact O-CB 3.06Å; V194-V198 VanDerWaalsContact O-CG2 3.26Å; V194-V198 WeakPolarHBondContact O-CG2 3.14Å; V194-V198 PolarHBondContact O-N 2.81Å; L195-V198 PolarHBondContact O-N 3.12Å; V198-V200 VanDerWaalsContact C-N 3.3Å; V198-V200 PolarHBondContact O-N 3.25Å; V198-Y201 PolarHBondContact O-N 3.39Å; V198-L202 HydrophobicContact CG1-CD1 3.38Å; V198-L202 HydrophobicContact CG1-CG 3.86Å; V198-L202 VanDerWaalsContact O-CB 3.29Å; V198-L202 WeakPolarHBondContact O-CB 3.44Å; V198-L202 WeakPolarHBondContact O-CG 3.46Å; V198-L202 PolarHBondContact O-N 3.24Å
199L88Confident79.9Confident48 Ų4871.1 Ų71.125%0.25138%0.382SS..Hα-helixtrans-61.6-36.6176.5-70.9174.1000112.7L9 L13 L195 C196 A197 M203L9-L199 HydrophobicContact CD2-CD1 4.23Å; L9-L199 HydrophobicContact CG-CD1 4.4Å; L13-L199 HydrophobicContact CD1-CD1 3.62Å; L195-L199 WeakPolarHBondContact O-CG 3.49Å; L195-L199 PolarHBondContact O-N 3.39Å; C196-L199 PolarHBondContact O-N 2.92Å; A197-L199 VanDerWaalsContact C-N 3.35Å; A197-L199 PolarHBondContact O-N 3.31Å; L199-M203 WeakPolarHBondContact O-CB 3.21Å; L199-M203 PolarHBondContact O-N 2.86Å
200V86.5Confident77.4Confident8 Ų882.2 Ų82.25%0.04842%0.424CS..Hα-helixtrans-67-36.3178169.30000112.6K10 R125 Y128 C196 A197 V198K10-V200 HydrophobicContact CD-CG2 3.72Å; K10-V200 HydrophobicContact CG-CG2 4.21Å; R125-V200 HydrophobicContact CG-CG1 4.32Å; Y128-V200 HydrophobicContact CD1-CG2 4.43Å; Y128-V200 HydrophobicContact CD2-CG1 4.43Å; Y128-V200 HydrophobicContact CD2-CG2 4.49Å; Y128-V200 HydrophobicContact CE1-CG2 4.32Å; Y128-V200 HydrophobicContact CE2-CG2 4.4Å; C196-V200 VanDerWaalsContact O-CG2 3.32Å; C196-V200 WeakPolarHBondContact O-CG2 3.46Å; C196-V200 PolarHBondContact O-N 3.39Å; A197-V200 WeakPolarHBondContact O-CB 3.47Å; A197-V200 PolarHBondContact O-N 2.77Å; A197-V200 VanDerWaalsContact O-N 3.12Å; V198-V200 VanDerWaalsContact C-N 3.3Å; V198-V200 PolarHBondContact O-N 3.25Å
201Y85.2Confident75.1Confident107 Ų10784.8 Ų84.842%0.4244%0.444SS..Hα-helixtrans-94-32.4-176.3-80.1-86.9000114.1R125 I129 A197 V198 P204R125-Y201 PolarHBondContact O-OH 2.97Å; I129-Y201 HydrophobicContact CD1-CE1 4.36Å; I129-Y201 HydrophobicContact CD1-CE2 3.61Å; I129-Y201 VanDerWaalsContact CD1-CZ 3.49Å; I129-Y201 VanDerWaalsContact CD1-OH 3.25Å; I129-Y201 WeakPolarHBondContact CD1-OH 3.32Å; I129-Y201 HydrophobicContact CG1-CE2 3.72Å; A197-Y201 WeakPolarHBondContact O-CD2 3.21Å; A197-Y201 PolarHBondContact O-N 3.19Å; A197-Y201 VanDerWaalsContact O-N 3.07Å; V198-Y201 PolarHBondContact O-N 3.39Å; Y201-P204 WeakPolarHBondContact O-CD 3.46Å
202L84.9Confident72.8Confident133 Ų13389.2 Ų89.270%0.69646%0.455SS*.Hα-helixtrans-75.5-27.7175.6-70-173.9000112.8V198 P204V198-L202 HydrophobicContact CG1-CD1 3.38Å; V198-L202 HydrophobicContact CG1-CG 3.86Å; V198-L202 VanDerWaalsContact O-CB 3.29Å; V198-L202 WeakPolarHBondContact O-CB 3.44Å; V198-L202 WeakPolarHBondContact O-CG 3.46Å; V198-L202 PolarHBondContact O-N 3.24Å; L202-P204 WeakPolarHBondContact O-CD 3.38Å
203M75.2Confident70.4Confident87 Ų8790 Ų9043%0.42947%0.471SS..SBendtrans-114.273.1174.3-61.6-101.9-64.700109.4Y6 L199 S205Y6-M203 HydrophobicContact CD1-CE 3.57Å; Y6-M203 HydrophobicContact CD2-CE 3.39Å; Y6-M203 HydrophobicContact CE1-CE 3.71Å; Y6-M203 HydrophobicContact CE1-SD 4.37Å; Y6-M203 HydrophobicContact CE2-CE 3.52Å; Y6-M203 HydrophobicContact CG-CE 3.4Å; Y6-M203 VanDerWaalsContact CG-CE 3.4Å; L199-M203 WeakPolarHBondContact O-CB 3.21Å; L199-M203 PolarHBondContact O-N 2.86Å; M203-S205 VanDerWaalsContact C-N 3.28Å; M203-S205 PolarHBondContact O-N 3.5Å
204P64.4Low68.1Low85 Ų85100 Ų10055%0.55251%0.509SS*.  trans-55.8100.6164.7-19.330.8000107.3Y201 L202 T206Y201-P204 WeakPolarHBondContact O-CD 3.46Å; L202-P204 WeakPolarHBondContact O-CD 3.38Å; P204-T206 PolarHBondContact O-N 3.1Å
205S57.3Low66Low54 Ų54101.3 Ų101.338%0.37851%0.513SS..  trans-54.4136.615963.80000105R125 M203 H207R125-S205 PolarHBondContact NH2-O 2.74Å; R125-S205 VanDerWaalsContact NH2-O 3.17Å; R125-S205 PolarHBondContact NH2-OG 2.93Å; M203-S205 VanDerWaalsContact C-N 3.28Å; M203-S205 PolarHBondContact O-N 3.5Å; S205-H207 PolarHBondContact O-N 3.19Å; S205-H207 PolarHBondContact OG-CD2 2.98Å
206T53Low63.9Low132 Ų132103.8 Ų103.881%0.8152%0.524SS*.  trans-63.640.8169560000110.5P204 V208P204-T206 PolarHBondContact O-N 3.1Å; T206-V208 WeakPolarHBondContact O-CG2 3.37Å; T206-V208 PolarHBondContact O-N 2.91Å
207H51.8Low62.1Low150 Ų150107.4 Ų107.469%0.69455%0.546SS*.  trans-57.378.9154.1-109.6-91.1000105.5S205 E209S205-H207 PolarHBondContact O-N 3.19Å; S205-H207 PolarHBondContact OG-CD2 2.98Å; H207-E209 PolarHBondContact O-N 3.46Å; H207-E209 VanDerWaalsContact O-N 3.07Å
208V48.2Very low60.4Low110 Ų110111.3 Ų111.367%0.66756%0.564SS**  trans2191.1133.9-167.80000107.1T206 R210T206-V208 WeakPolarHBondContact O-CG2 3.37Å; T206-V208 PolarHBondContact O-N 2.91Å; V208-R210 HydrophobicContact CG1-CB 4.21Å; V208-R210 PolarHBondContact O-N 3.08Å
209E46.5Very low58.5Low185 Ų185114.5 Ų114.586%0.86458%0.575SS**  trans-43.291.8133.5-85.1-175.6132.600104.3H207 S211H207-E209 PolarHBondContact O-N 3.46Å; H207-E209 VanDerWaalsContact O-N 3.07Å; E209-S211 PolarHBondContact O-N 2.86Å
210R45.2Very low56.8Low233 Ų233118.2 Ų118.288%0.87959%0.591SS**  trans-68.985.5160.3-173175.1-164.2167.74.4100.1V208 R212V208-R210 HydrophobicContact CG1-CB 4.21Å; V208-R210 PolarHBondContact O-N 3.08Å; R210-R212 PolarHBondContact O-N 3.3Å
211S47.9Very low55.3Low81 Ų81124.3 Ų124.357%0.56662%0.619SS**  trans-46.7122.9-176.863.70000104.6E209 G213E209-S211 PolarHBondContact O-N 2.86Å; S211-G213 VanDerWaalsContact C-N 3.29Å; S211-G213 PolarHBondContact O-N 3.24Å
212R47.7Very low53.9Low185 Ų185125.5 Ų125.570%0.69863%0.632SS**  trans-1391.7158.2-64.5158.6112.1-175.28.1109.3R210 W214 L215R210-R212 PolarHBondContact O-N 3.3Å; R212-W214 PolarHBondContact O-N 2.77Å; R212-L215 HydrophobicContact CB-CB 4.3Å; R212-L215 HydrophobicContact CB-CD1 4.16Å; R212-L215 PolarHBondContact O-N 3.32Å
213G46.2Very low52.7Low50 Ų50124 Ų12452%0.51563%0.629SS.*Hα-helixtrans-59-17.9179.900000111.2S211S211-G213 VanDerWaalsContact C-N 3.29Å; S211-G213 PolarHBondContact O-N 3.24Å
214W45.7Very low51.8Low214 Ų214126.4 Ų126.481%0.81164%0.643SS**Hα-helixtrans-70.1-26.6173.1-65.591.6000114.9R212 V217 N218R212-W214 PolarHBondContact O-N 2.77Å; W214-V217 PolarHBondContact O-N 3.47Å; W214-N218 PolarHBondContact O-N 2.77Å
215L48Very low51.2Low96 Ų96131.7 Ų131.750%0.50367%0.673SS.*Hα-helixtrans-75.7-30.2179.6-112.8146000112.2R212 Q219R212-L215 HydrophobicContact CB-CB 4.3Å; R212-L215 HydrophobicContact CB-CD1 4.16Å; R212-L215 PolarHBondContact O-N 3.32Å; L215-Q219 PolarHBondContact O-N 2.71Å
216M49.6Very low50.9Low140 Ų140135.6 Ų135.669%0.6969%0.688SS**Hα-helixtrans-75.7-25.1174.4-71.4-93.3-75.200112.8
217V54.3Low50.8Low78 Ų78135.7 Ų135.747%0.47368%0.681SS.*Hα-helixtrans-71.1-43.6177.4174.20000110.5W214 Q219 H220W214-V217 PolarHBondContact O-N 3.47Å; V217-Q219 VanDerWaalsContact C-N 3.33Å; V217-Q219 PolarHBondContact O-N 3.34Å; V217-H220 PolarHBondContact O-N 2.94Å
218N52Low50.8Low95 Ų95134.9 Ų134.951%0.50868%0.681SS.*Hα-helixtrans-71-30.2-179-6910000112.8W214 H220 E221 D222W214-N218 PolarHBondContact O-N 2.77Å; N218-H220 PolarHBondContact O-N 3.24Å; N218-E221 PolarHBondContact O-N 2.84Å; N218-D222 PolarHBondContact O-N 2.93Å
219Q51.8Low50.9Low134 Ų134136.4 Ų136.463%0.62668%0.681SS**Hα-helixtrans-70.5-20.4179.8-134.8177.8-37.400113.1L215 V217L215-Q219 PolarHBondContact O-N 2.71Å; V217-Q219 VanDerWaalsContact C-N 3.33Å; V217-Q219 PolarHBondContact O-N 3.34Å
220H51.7Low51.2Low126 Ų126133.4 Ų133.458%0.58367%0.67SS**Hα-helixtrans-80.2-27.4174.6-161.9-60.1000112.1V217 N218 T223V217-H220 PolarHBondContact O-N 2.94Å; N218-H220 PolarHBondContact O-N 3.24Å; H220-T223 PolarHBondContact O-OG1 2.68Å
221E55.1Low51.6Low135 Ų135126.7 Ų126.763%0.63166%0.656SS**Hα-helixtrans-72.7-35.1177.4-67.9-172.8163.500111.7N218 T223 L224N218-E221 PolarHBondContact O-N 2.84Å; E221-T223 PolarHBondContact O-N 3.39Å; E221-L224 PolarHBondContact O-N 3.42Å
222D55.9Low51.9Low132 Ų132130 Ų13071%0.70666%0.663SS**THydrogen-bonded Turntrans-73.9-9.4-179.1-67.8-25.7000114.3N218N218-D222 PolarHBondContact O-N 2.93Å
223T59.6Low52.2Low103 Ų103125.8 Ų125.863%0.63266%0.66SS**THydrogen-bonded Turntrans-100.21.3178.457.70000114.6H220 E221H220-T223 PolarHBondContact O-OG1 2.68Å; E221-T223 PolarHBondContact O-N 3.39Å
224L55.8Low52.7Low136 Ų136132.1 Ų132.171%0.71267%0.672SS**  trans-107.219.1-178.8-73.3172.5000114.1E221E221-L224 PolarHBondContact O-N 3.42Å
225V53.1Low53.4Low196 Ų196124.6 Ų124.6100%1.18866%0.659SS**  trans-116.20169.5-172.30000109.4

Retrieved 225 of 225 residues in 567.4 ms (Link to these results)

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