A0A3Q0KPJ6_SCHMA Loading...

Integrator complex subunit 2

AlphaFold DB , UniProt , Accession A0A3Q0KPJ6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,436 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
1M36.4Very low45.1Very low162 Ų16292.1 Ų92.180%0.79848%0.475SS*.  0-69.80-114.7-155.7160.700115.8E4 K5M1-E4 PolarHBondContact N-OE2 3.45Å; M1-K5 WeakPolarHBondContact O-CB 3.46Å; M1-K5 VanDerWaalsContact O-CG 3.23Å; M1-K5 WeakPolarHBondContact O-CG 3.48Å; M1-K5 PolarHBondContact O-N 3.37Å
2L40.1Very low45.9Very low77 Ų7794.8 Ų94.840%0.40349%0.49SS..Hα-helixtrans-66.8-42.4178.6-94158.4000112.7K5 S6L2-K5 PolarHBondContact O-N 2.8Å; L2-S6 PolarHBondContact O-N 3.36Å; L2-S6 PolarHBondContact O-OG 3.35Å
3F41.4Very low46.8Very low73 Ų7398.6 Ų98.632%0.3251%0.512SS..Hα-helixtrans-69.3-35.9174.9-162.5-85.8000113S6 L7 V25 P180F3-S6 WeakPolarHBondContact CA-OG 3.5Å; F3-S6 PolarHBondContact O-N 3.49Å; F3-S6 PolarHBondContact O-OG 3.43Å; F3-L7 HydrophobicContact CD1-CD1 3.78Å; F3-L7 HydrophobicContact CE1-CD1 3.62Å; F3-L7 PolarHBondContact O-N 3.13Å; F3-V25 HydrophobicContact CD2-CG1 4.06Å; F3-V25 HydrophobicContact CD2-CG2 4.48Å; F3-V25 HydrophobicContact CE2-CB 4.28Å; F3-V25 HydrophobicContact CE2-CG1 3.36Å; F3-V25 HydrophobicContact CE2-CG2 3.91Å; F3-V25 HydrophobicContact CZ-CG1 4.05Å; F3-P180 HydrophobicContact CD2-CG 4.14Å; F3-P180 HydrophobicContact CE2-CG 4.02Å; F3-P180 HydrophobicContact CG-CG 4.5Å; F3-P180 HydrophobicContact CZ-CG 4.32Å
4E44.8Very low47.6Very low126 Ų12693.3 Ų93.359%0.58949%0.485SS*.Hα-helixtrans-66.9-43.8170.2-80.4170.4134.100110.7M1 S6 L7 T8M1-E4 PolarHBondContact N-OE2 3.45Å; E4-S6 VanDerWaalsContact C-N 3.3Å; E4-S6 PolarHBondContact O-N 3.09Å; E4-L7 PolarHBondContact O-N 3.33Å; E4-L7 VanDerWaalsContact O-N 3.08Å; E4-T8 WeakPolarHBondContact O-CB 3.43Å; E4-T8 WeakPolarHBondContact O-CG2 3.27Å; E4-T8 PolarHBondContact O-N 3.26Å; E4-T8 PolarHBondContact O-OG1 3.38Å
5K44.9Very low48.6Very low113 Ų11396.7 Ų96.749%0.49149%0.494SS..Hα-helixtrans-59.8-38.8175.1-82-176.1173.2-165.50111.7M1 L2 L7 T8 C9M1-K5 WeakPolarHBondContact O-CB 3.46Å; M1-K5 VanDerWaalsContact O-CG 3.23Å; M1-K5 WeakPolarHBondContact O-CG 3.48Å; M1-K5 PolarHBondContact O-N 3.37Å; L2-K5 PolarHBondContact O-N 2.8Å; K5-L7 VanDerWaalsContact C-N 3.3Å; K5-L7 PolarHBondContact O-N 3.46Å; K5-T8 PolarHBondContact O-N 3.36Å; K5-C9 WeakPolarHBondContact O-CA 3.3Å; K5-C9 WeakPolarHBondContact O-CB 3.34Å; K5-C9 PolarHBondContact O-N 3.37Å
6S46.7Very low49.4Very low18 Ų1892.9 Ų92.913%0.12648%0.479CS..Hα-helixtrans-68.9-26.9175.858.80000113.6L2 F3 E4L2-S6 PolarHBondContact O-N 3.36Å; L2-S6 PolarHBondContact O-OG 3.35Å; F3-S6 WeakPolarHBondContact CA-OG 3.5Å; F3-S6 PolarHBondContact O-N 3.49Å; F3-S6 PolarHBondContact O-OG 3.43Å; E4-S6 VanDerWaalsContact C-N 3.3Å; E4-S6 PolarHBondContact O-N 3.09Å
7L47.3Very low50.4Low130 Ų13096 Ų9668%0.68149%0.491SS*.Hα-helixtrans-84.3-22.8175-79.7161.7000113.1F3 E4 K5F3-L7 HydrophobicContact CD1-CD1 3.78Å; F3-L7 HydrophobicContact CE1-CD1 3.62Å; F3-L7 PolarHBondContact O-N 3.13Å; E4-L7 PolarHBondContact O-N 3.33Å; E4-L7 VanDerWaalsContact O-N 3.08Å; K5-L7 VanDerWaalsContact C-N 3.3Å; K5-L7 PolarHBondContact O-N 3.46Å
8T49.2Very low51.4Low113 Ų11393.9 Ų93.969%0.69348%0.479SS*.Hα-helixtrans-116.9-12.8-171.963.70000115.8E4 K5E4-T8 WeakPolarHBondContact O-CB 3.43Å; E4-T8 WeakPolarHBondContact O-CG2 3.27Å; E4-T8 PolarHBondContact O-N 3.26Å; E4-T8 PolarHBondContact O-OG1 3.38Å; K5-T8 PolarHBondContact O-N 3.36Å
9C41.2Very low52.3Low50 Ų5089 Ų8934%0.33845%0.454SS..SBendtrans-105.6142.8-174.8-65.30000112.6K5 F11K5-C9 WeakPolarHBondContact O-CA 3.3Å; K5-C9 WeakPolarHBondContact O-CB 3.34Å; K5-C9 PolarHBondContact O-N 3.37Å; C9-F11 PolarHBondContact O-N 2.96Å
10D51.3Low53.1Low125 Ų12585.7 Ų85.767%0.66844%0.437SS*.  trans-51.1130.1159.1-74.7-45.6000108.7D12D10-D12 PolarHBondContact O-N 3.47Å
11F52.6Low53.8Low26 Ų2684 Ų8411%0.11443%0.428CS..G310 helixtrans-59-4.2-172.6-67.2-78.4000115C9 D13 I14 C35 R38 V39C9-F11 PolarHBondContact O-N 2.96Å; F11-D13 PolarHBondContact O-N 3.26Å; F11-I14 HydrophobicContact CD1-CD1 4.24Å; F11-C35 HydrophobicContact CD1-CB 4.02Å; F11-C35 WeakPolarHBondContact CD1-SG 3.22Å; F11-C35 HydrophobicContact CE1-CB 3.96Å; F11-C35 VanDerWaalsContact CE1-SG 3.52Å; F11-R38 HydrophobicContact CB-CB 4.08Å; F11-V39 WeakPolarHBondContact O-CG2 3.45Å
12D54.8Low55.4Low124 Ų12476.5 Ų76.566%0.66339%0.391SS*.G310 helixtrans-73.2-22.5-173.7-63.8-18000114.1D10D10-D12 PolarHBondContact O-N 3.47Å
13D57.2Low56.8Low145 Ų14572.9 Ų72.978%0.77537%0.373SS*.G310 helixtrans-88.8-5.3-176.3-88.3-13.9000114.6F11F11-D13 PolarHBondContact O-N 3.26Å
14I58.2Low58.2Low24 Ų2469.6 Ų69.612%0.12336%0.359CS..SBendtrans-82.1122.7-175-52.9177.8000109.4F11 E18 I19F11-I14 HydrophobicContact CD1-CD1 4.24Å; I14-E18 HydrophobicContact CG2-CB 3.76Å; I14-I19 HydrophobicContact CB-CG1 4.34Å; I14-I19 HydrophobicContact CG2-CD1 4.38Å; I14-I19 HydrophobicContact CG2-CG1 3.58Å
15K63.2Low59.3Low144 Ų14464.5 Ų64.563%0.62634%0.336SS*.  trans-63.4143.6174.4-67178.7-179.4174.70109.7E17 E18 I19K15-E17 PolarHBondContact O-N 3.02Å; K15-E18 HydrophobicContact CB-CB 4.48Å; K15-E18 HydrophobicContact CB-CG 4.04Å; K15-E18 PolarHBondContact N-OE2 2.95Å; K15-E18 WeakPolarHBondContact O-CB 3.32Å; K15-E18 PolarHBondContact O-N 3.44Å; K15-I19 PolarHBondContact O-N 3.45Å
16S61.6Low60.5Low37 Ų3759.4 Ų59.426%0.25931%0.314SS..Hα-helixtrans-52.9-34.4-178.954.10000113.8
17E65.8Low61.7Low145 Ų14559.4 Ų59.468%0.67831%0.312SS*.Hα-helixtrans-71.3-31.5175.7-65.7177.9178.500113.7K15 I19 L20K15-E17 PolarHBondContact O-N 3.02Å; E17-I19 VanDerWaalsContact C-N 3.3Å; E17-I19 PolarHBondContact O-N 3.41Å; E17-L20 WeakPolarHBondContact O-CB 3.44Å; E17-L20 PolarHBondContact O-N 3.5Å
18E69.2Low62.7Low58 Ų5857 Ų5727%0.27130%0.297SS..Hα-helixtrans-71-28.4179.9-68.3171.6176.600111.5I14 K15 L20 I21 L22I14-E18 HydrophobicContact CG2-CB 3.76Å; K15-E18 HydrophobicContact CB-CB 4.48Å; K15-E18 HydrophobicContact CB-CG 4.04Å; K15-E18 PolarHBondContact N-OE2 2.95Å; K15-E18 WeakPolarHBondContact O-CB 3.32Å; K15-E18 PolarHBondContact O-N 3.44Å; E18-L20 VanDerWaalsContact C-N 3.28Å; E18-L20 PolarHBondContact O-N 3.35Å; E18-I21 WeakPolarHBondContact O-CB 3.36Å; E18-I21 PolarHBondContact O-N 2.99Å; E18-I21 VanDerWaalsContact O-N 3.12Å; E18-L22 WeakPolarHBondContact O-CG 3.45Å; E18-L22 PolarHBondContact O-N 3.22Å
19I68.4Low63.7Low1 Ų154.2 Ų54.21%0.00528%0.282CS..Hα-helixtrans-63.4-37.3175.5-62.4173.1000111I14 K15 E17 I21 L22 S23 V39 M41I14-I19 HydrophobicContact CB-CG1 4.34Å; I14-I19 HydrophobicContact CG2-CD1 4.38Å; I14-I19 HydrophobicContact CG2-CG1 3.58Å; K15-I19 PolarHBondContact O-N 3.45Å; E17-I19 VanDerWaalsContact C-N 3.3Å; E17-I19 PolarHBondContact O-N 3.41Å; I19-I21 PolarHBondContact O-N 3.27Å; I19-L22 CarbonylContact O-C 3.58Å; I19-L22 PolarHBondContact O-N 3.49Å; I19-S23 WeakPolarHBondContact O-CA 3.21Å; I19-S23 WeakPolarHBondContact O-CB 3.45Å; I19-S23 PolarHBondContact O-N 2.94Å; I19-V39 HydrophobicContact CD1-CB 3.41Å; I19-V39 VanDerWaalsContact CD1-CB 3.41Å; I19-V39 HydrophobicContact CD1-CG1 3.41Å; I19-V39 VanDerWaalsContact CD1-CG1 3.41Å; I19-V39 HydrophobicContact CD1-CG2 3.6Å; I19-M41 HydrophobicContact CB-CE 3.94Å; I19-M41 HydrophobicContact CD1-CE 3.46Å; I19-M41 VanDerWaalsContact CD1-CE 3.46Å; I19-M41 HydrophobicContact CG1-CE 4.28Å; I19-M41 HydrophobicContact CG2-CE 3.51Å
20L67.7Low64.9Low22 Ų2256.6 Ų56.612%0.11529%0.292CS..Hα-helixtrans-62.5-34.6176.2-133.785.3000111.9E17 E18 S23 L45 L48 L49 T134E17-L20 WeakPolarHBondContact O-CB 3.44Å; E17-L20 PolarHBondContact O-N 3.5Å; E18-L20 VanDerWaalsContact C-N 3.28Å; E18-L20 PolarHBondContact O-N 3.35Å; L20-S23 PolarHBondContact O-OG 3.2Å; L20-L45 HydrophobicContact CD1-CD2 3.8Å; L20-L48 HydrophobicContact CD1-CD2 3.97Å; L20-L48 HydrophobicContact CD2-CD2 4.13Å; L20-L48 HydrophobicContact CG-CD2 4.4Å; L20-L49 HydrophobicContact CD1-CD1 4.45Å; L20-T134 HydrophobicContact CD2-CG2 3.34Å; L20-T134 HydrophobicContact CG-CG2 3.82Å
21I68.1Low65.7Low50 Ų5053.5 Ų53.526%0.25628%0.275SS..Hα-helixtrans-74.2-40.7178.3-59.4176000110.1E18 I19 S23 K174 V177 N178E18-I21 WeakPolarHBondContact O-CB 3.36Å; E18-I21 PolarHBondContact O-N 2.99Å; E18-I21 VanDerWaalsContact O-N 3.12Å; I19-I21 PolarHBondContact O-N 3.27Å; I21-S23 VanDerWaalsContact C-N 3.33Å; I21-K174 HydrophobicContact CG1-CD 4.38Å; I21-K174 HydrophobicContact CG1-CG 4.16Å; I21-K174 HydrophobicContact CG2-CB 4.44Å; I21-K174 HydrophobicContact CG2-CG 4.09Å; I21-V177 HydrophobicContact CG2-CG1 4.22Å; I21-N178 PolarHBondContact O-ND2 3.16Å; I21-N178 PolarHBondContact O-OD1 3.02Å
22L69Low66.4Low5 Ų552.4 Ų52.43%0.02627%0.27CS..Hα-helixtrans-84.6-5.5-177.9-66.3169.2000113.5E18 I19 P24 V25 L26 V177E18-L22 WeakPolarHBondContact O-CG 3.45Å; E18-L22 PolarHBondContact O-N 3.22Å; I19-L22 CarbonylContact O-C 3.58Å; I19-L22 PolarHBondContact O-N 3.49Å; L22-P24 VanDerWaalsContact C-CD 3.42Å; L22-V25 PolarHBondContact O-N 3.38Å; L22-L26 HydrophobicContact CB-CD1 3.94Å; L22-L26 HydrophobicContact CB-CG 4.32Å; L22-L26 WeakPolarHBondContact O-CG 3.43Å; L22-L26 PolarHBondContact O-N 3.19Å; L22-V177 HydrophobicContact CD2-CG1 4.39Å
23S71.1Confident67Low2 Ų252.2 Ų52.21%0.01427%0.267CS..Hα-helixtrans-58.4-37.5-171.474.10000114.4I19 L20 I21 Y27 I138I19-S23 WeakPolarHBondContact O-CA 3.21Å; I19-S23 WeakPolarHBondContact O-CB 3.45Å; I19-S23 PolarHBondContact O-N 2.94Å; L20-S23 PolarHBondContact O-OG 3.2Å; I21-S23 VanDerWaalsContact C-N 3.33Å; S23-Y27 WeakPolarHBondContact O-CB 3.4Å; S23-Y27 PolarHBondContact O-N 2.92Å; S23-I138 WeakPolarHBondContact OG-CD1 3.29Å
24P69.9Low67.4Low4 Ų450.2 Ų50.23%0.02625%0.253CS..Hα-helixtrans-65.5-43.6178.4-21.534.6000112.9L22 Y27 Q28 F137 I138 C141 N178L22-P24 VanDerWaalsContact C-CD 3.42Å; P24-Y27 PolarHBondContact O-N 3.16Å; P24-Q28 WeakPolarHBondContact O-CG 3.44Å; P24-Q28 PolarHBondContact O-N 3.11Å; P24-Q28 VanDerWaalsContact O-N 3.13Å; P24-F137 HydrophobicContact CG-CE1 3.86Å; P24-F137 HydrophobicContact CG-CZ 3.77Å; P24-I138 HydrophobicContact CG-CB 4.43Å; P24-I138 HydrophobicContact CG-CG1 3.98Å; P24-I138 HydrophobicContact CG-CG2 4.45Å; P24-C141 HydrophobicContact CB-CB 3.58Å; P24-C141 HydrophobicContact CG-CB 3.85Å; P24-N178 WeakPolarHBondContact CD-OD1 3.33Å
25V68.8Low67.8Low18 Ų1849 Ų4911%0.10925%0.247CC..Hα-helixtrans-64.1-47.9177.7164.30000110.3F3 L22 Y27 Q28 S29 N178F3-V25 HydrophobicContact CD2-CG1 4.06Å; F3-V25 HydrophobicContact CD2-CG2 4.48Å; F3-V25 HydrophobicContact CE2-CB 4.28Å; F3-V25 HydrophobicContact CE2-CG1 3.36Å; F3-V25 HydrophobicContact CE2-CG2 3.91Å; F3-V25 HydrophobicContact CZ-CG1 4.05Å; L22-V25 PolarHBondContact O-N 3.38Å; V25-Y27 VanDerWaalsContact C-N 3.29Å; V25-Y27 PolarHBondContact O-N 3.33Å; V25-Q28 PolarHBondContact O-N 3.45Å; V25-S29 PolarHBondContact O-N 2.66Å; V25-S29 VanDerWaalsContact O-N 3.09Å; V25-N178 HydrophobicContact CG2-CB 3.9Å; V25-N178 WeakPolarHBondContact CG2-OD1 3.48Å
26L69.2Low67.9Low6 Ų642.8 Ų42.83%0.03122%0.22CC..Hα-helixtrans-64.6-33.6178.6-69.8171.3000112.3L22 Q28 S29 D30 D31 L32 C35L22-L26 HydrophobicContact CB-CD1 3.94Å; L22-L26 HydrophobicContact CB-CG 4.32Å; L22-L26 WeakPolarHBondContact O-CG 3.43Å; L22-L26 PolarHBondContact O-N 3.19Å; L26-Q28 VanDerWaalsContact C-N 3.34Å; L26-S29 PolarHBondContact O-OG 2.97Å; L26-D30 PolarHBondContact O-N 3.24Å; L26-D31 HydrophobicContact CD2-CB 4.33Å; L26-D31 PolarHBondContact O-N 3.43Å; L26-L32 HydrophobicContact CB-CB 3.96Å; L26-L32 HydrophobicContact CB-CD1 3.8Å; L26-L32 HydrophobicContact CD1-CD1 4.18Å; L26-L32 PolarHBondContact O-N 2.8Å; L26-C35 HydrophobicContact CD1-CB 4.24Å
27Y71.1Confident68.2Low19 Ų1945.4 Ų45.48%0.07524%0.238CC..Hα-helixtrans-66.4-40.1176.3-177.5-97.7000110.9S23 P24 V25 D30 L32 L56 N57 F142S23-Y27 WeakPolarHBondContact O-CB 3.4Å; S23-Y27 PolarHBondContact O-N 2.92Å; P24-Y27 PolarHBondContact O-N 3.16Å; V25-Y27 VanDerWaalsContact C-N 3.29Å; V25-Y27 PolarHBondContact O-N 3.33Å; Y27-D30 PolarHBondContact O-N 3.23Å; Y27-L32 HydrophobicContact CD2-CD2 3.94Å; Y27-L56 HydrophobicContact CD1-CB 4.39Å; Y27-L56 HydrophobicContact CD1-CD1 4.04Å; Y27-L56 HydrophobicContact CD2-CB 4.44Å; Y27-L56 HydrophobicContact CD2-CD1 3.95Å; Y27-L56 HydrophobicContact CE1-CB 3.89Å; Y27-L56 HydrophobicContact CE1-CD1 4.37Å; Y27-L56 HydrophobicContact CE2-CB 3.94Å; Y27-L56 HydrophobicContact CE2-CD1 4.29Å; Y27-L56 HydrophobicContact CG-CD1 3.82Å; Y27-N57 PolarHBondContact OH-N 3.03Å; Y27-N57 PolarHBondContact OH-OD1 2.98Å; Y27-F142 HydrophobicContact CE1-CE2 4.29Å
28Q69.1Low68.2Low78 Ų7844.5 Ų44.536%0.36423%0.229SC..Hα-helixtrans-73-29.8179.6-73.1178.520.600113.8P24 V25 L26 D30 H145P24-Q28 WeakPolarHBondContact O-CG 3.44Å; P24-Q28 PolarHBondContact O-N 3.11Å; P24-Q28 VanDerWaalsContact O-N 3.13Å; V25-Q28 PolarHBondContact O-N 3.45Å; L26-Q28 VanDerWaalsContact C-N 3.34Å; Q28-D30 PolarHBondContact O-N 3.28Å; Q28-H145 PolarHBondContact NE2-CD2 3.11Å; Q28-H145 PolarHBondContact NE2-ND1 3.04Å; Q28-H145 VanDerWaalsContact NE2-ND1 3.19Å; Q28-H145 PolarHBondContact OE1-CD2 2.91Å; Q28-H145 VanDerWaalsContact OE1-CG 3.27Å; Q28-H145 PolarHBondContact OE1-NE2 2.95Å
29S69.3Low68Low56 Ų5642.6 Ų42.639%0.39222%0.221SC..THydrogen-bonded Turntrans-78.71.7172.169.40000113.4V25 L26 D31V25-S29 PolarHBondContact O-N 2.66Å; V25-S29 VanDerWaalsContact O-N 3.09Å; L26-S29 PolarHBondContact O-OG 2.97Å; S29-D31 VanDerWaalsContact CB-OD2 3.23Å; S29-D31 WeakPolarHBondContact CB-OD2 2.99Å; S29-D31 PolarHBondContact O-N 3.42Å; S29-D31 VanDerWaalsContact O-N 3.1Å; S29-D31 WeakPolarHBondContact OG-CB 3.28Å; S29-D31 VanDerWaalsContact OG-CG 3.29Å; S29-D31 PolarHBondContact OG-OD2 3.46Å
30D66.6Low67.9Low100 Ų10047.8 Ų47.854%0.53526%0.258SS..THydrogen-bonded Turntrans57.110.5-170-70.1-47.2000113.7L26 Y27 Q28 R60L26-D30 PolarHBondContact O-N 3.24Å; Y27-D30 PolarHBondContact O-N 3.23Å; Q28-D30 PolarHBondContact O-N 3.28Å; D30-R60 IonicContact OD1-CZ 3.13Å; D30-R60 IonicContact OD1-NH1 3.08Å; D30-R60 PolarHBondContact OD1-NH1 3.32Å; D30-R60 IonicContact OD1-NH2 2.94Å; D30-R60 PolarHBondContact OD1-NH2 3.49Å; D30-R60 VanDerWaalsContact OD1-NH2 3.13Å; D30-R60 IonicContact OD2-NH2 3.51Å; D30-R60 PolarHBondContact OD2-NH2 3.23Å
31D68.2Low67.9Low59 Ų5948.5 Ų48.532%0.31626%0.261SS..  trans-85-14.5-179.2-63.9-45.7000113.6L26 S29 M33 Q34 C35L26-D31 HydrophobicContact CD2-CB 4.33Å; L26-D31 PolarHBondContact O-N 3.43Å; S29-D31 VanDerWaalsContact CB-OD2 3.23Å; S29-D31 WeakPolarHBondContact CB-OD2 2.99Å; S29-D31 PolarHBondContact O-N 3.42Å; S29-D31 VanDerWaalsContact O-N 3.1Å; S29-D31 WeakPolarHBondContact OG-CB 3.28Å; S29-D31 VanDerWaalsContact OG-CG 3.29Å; S29-D31 PolarHBondContact OG-OD2 3.46Å; D31-M33 VanDerWaalsContact C-N 3.26Å; D31-M33 PolarHBondContact O-N 2.9Å; D31-Q34 WeakPolarHBondContact O-CB 3.45Å; D31-Q34 PolarHBondContact O-N 3.37Å; D31-C35 PolarHBondContact O-N 2.81Å
32L68.6Low68.1Low4 Ų449.8 Ų49.82%0.02127%0.271CS..Hα-helixtrans-53.5-43.1-175.3-175.470.4000112.4L26 Y27 Q34 C35 I36 I53L26-L32 HydrophobicContact CB-CB 3.96Å; L26-L32 HydrophobicContact CB-CD1 3.8Å; L26-L32 HydrophobicContact CD1-CD1 4.18Å; L26-L32 PolarHBondContact O-N 2.8Å; Y27-L32 HydrophobicContact CD2-CD2 3.94Å; L32-Q34 VanDerWaalsContact C-N 3.33Å; L32-Q34 PolarHBondContact O-N 2.95Å; L32-C35 WeakPolarHBondContact O-CB 3.5Å; L32-C35 PolarHBondContact O-N 3.13Å; L32-I36 HydrophobicContact CD1-CD1 4.23Å; L32-I36 HydrophobicContact CD1-CG1 4.41Å; L32-I36 HydrophobicContact CD2-CD1 4.19Å; L32-I36 HydrophobicContact CG-CD1 3.72Å; L32-I36 HydrophobicContact CG-CG1 4.31Å; L32-I36 VanDerWaalsContact O-CG1 3.23Å; L32-I36 WeakPolarHBondContact O-CG1 3.47Å; L32-I36 PolarHBondContact O-N 2.9Å; L32-I53 HydrophobicContact CD2-CD1 4Å; L32-I53 HydrophobicContact CD2-CG1 3.79Å
33M66.5Low68.3Low119 Ų11956.7 Ų56.759%0.58630%0.303SS*.Hα-helixtrans-66.5-35.7-179.5-67.8-56.2-62.800112.3D31 I36 S37 I53D31-M33 VanDerWaalsContact C-N 3.26Å; D31-M33 PolarHBondContact O-N 2.9Å; M33-I36 HydrophobicContact SD-CD1 4.35Å; M33-S37 PolarHBondContact O-N 3.1Å; M33-I53 HydrophobicContact SD-CD1 4.15Å
34Q66.5Low68.2Low103 Ų10362.7 Ų62.748%0.48134%0.335SS..Hα-helixtrans-66.8-42.1172.8-71.1-1709.600110.9D31 L32 S37 R38D31-Q34 WeakPolarHBondContact O-CB 3.45Å; D31-Q34 PolarHBondContact O-N 3.37Å; L32-Q34 VanDerWaalsContact C-N 3.33Å; L32-Q34 PolarHBondContact O-N 2.95Å; Q34-S37 PolarHBondContact O-N 2.95Å; Q34-S37 PolarHBondContact O-OG 3.18Å; Q34-R38 PolarHBondContact O-N 2.97Å
35C65.6Low68.3Low0 Ų064 Ų640%034%0.342CS..Hα-helixtrans-61.3-47.5179.4-154.30000111.6F11 L26 D31 L32 S37 R38 V39F11-C35 HydrophobicContact CD1-CB 4.02Å; F11-C35 WeakPolarHBondContact CD1-SG 3.22Å; F11-C35 HydrophobicContact CE1-CB 3.96Å; F11-C35 VanDerWaalsContact CE1-SG 3.52Å; L26-C35 HydrophobicContact CD1-CB 4.24Å; D31-C35 PolarHBondContact O-N 2.81Å; L32-C35 WeakPolarHBondContact O-CB 3.5Å; L32-C35 PolarHBondContact O-N 3.13Å; C35-S37 VanDerWaalsContact C-N 3.28Å; C35-S37 PolarHBondContact O-N 3.21Å; C35-R38 PolarHBondContact O-N 3.18Å; C35-R38 VanDerWaalsContact O-N 3.11Å; C35-V39 PolarHBondContact O-N 3.4Å
36I66Low68.4Low13 Ų1369.7 Ų69.77%0.06736%0.361CS..Hα-helixtrans-61.8-35177-66165.7000112L32 M33 R38 M41 L49 I53L32-I36 HydrophobicContact CD1-CD1 4.23Å; L32-I36 HydrophobicContact CD1-CG1 4.41Å; L32-I36 HydrophobicContact CD2-CD1 4.19Å; L32-I36 HydrophobicContact CG-CD1 3.72Å; L32-I36 HydrophobicContact CG-CG1 4.31Å; L32-I36 VanDerWaalsContact O-CG1 3.23Å; L32-I36 WeakPolarHBondContact O-CG1 3.47Å; L32-I36 PolarHBondContact O-N 2.9Å; M33-I36 HydrophobicContact SD-CD1 4.35Å; I36-R38 PolarHBondContact O-N 3.09Å; I36-M41 HydrophobicContact CG1-CE 4.21Å; I36-L49 HydrophobicContact CD1-CD2 3.33Å; I36-L49 HydrophobicContact CD1-CG 4.05Å; I36-L49 HydrophobicContact CG1-CD2 3.44Å; I36-L49 VanDerWaalsContact CG1-CD2 3.44Å; I36-I53 HydrophobicContact CD1-CD1 3.48Å; I36-I53 VanDerWaalsContact CD1-CD1 3.48Å
37S66.7Low68.7Low91 Ų9174.5 Ų74.564%0.63638%0.383SS*.Hα-helixtrans-68.3-23.117976.10000113.3M33 Q34 C35M33-S37 PolarHBondContact O-N 3.1Å; Q34-S37 PolarHBondContact O-N 2.95Å; Q34-S37 PolarHBondContact O-OG 3.18Å; C35-S37 VanDerWaalsContact C-N 3.28Å; C35-S37 PolarHBondContact O-N 3.21Å
38R65.8Low68.8Low126 Ų12676.9 Ų76.948%0.47540%0.397SS..Hα-helixtrans-97.6-30.8-174.9-67.6-178.3-170.7-170.111.1113.5F11 Q34 C35 I36F11-R38 HydrophobicContact CB-CB 4.08Å; Q34-R38 PolarHBondContact O-N 2.97Å; C35-R38 PolarHBondContact O-N 3.18Å; C35-R38 VanDerWaalsContact O-N 3.11Å; I36-R38 PolarHBondContact O-N 3.09Å
39V66.3Low69Low18 Ų1873.2 Ų73.211%0.10938%0.38CS..SBendtrans-97.4130.5-174.2-174.90000112.7F11 I19 C35 M41F11-V39 WeakPolarHBondContact O-CG2 3.45Å; I19-V39 HydrophobicContact CD1-CB 3.41Å; I19-V39 VanDerWaalsContact CD1-CB 3.41Å; I19-V39 HydrophobicContact CD1-CG1 3.41Å; I19-V39 VanDerWaalsContact CD1-CG1 3.41Å; I19-V39 HydrophobicContact CD1-CG2 3.6Å; C35-V39 PolarHBondContact O-N 3.4Å; V39-M41 PolarHBondContact O-N 3.22Å
40S64.9Low69.3Low111 Ų11174.4 Ų74.478%0.77638%0.382SS*.  trans-71.7111.8174610000111.1
41M68.7Low69.8Low36 Ų3673.8 Ų73.818%0.17738%0.378CS..  trans-109.3156176.9-62.1-169.9-168.900112I19 I36 V39 L45 L49I19-M41 HydrophobicContact CB-CE 3.94Å; I19-M41 HydrophobicContact CD1-CE 3.46Å; I19-M41 VanDerWaalsContact CD1-CE 3.46Å; I19-M41 HydrophobicContact CG1-CE 4.28Å; I19-M41 HydrophobicContact CG2-CE 3.51Å; I36-M41 HydrophobicContact CG1-CE 4.21Å; V39-M41 PolarHBondContact O-N 3.22Å; M41-L45 HydrophobicContact CB-CB 4.33Å; M41-L49 HydrophobicContact CE-CD2 3.78Å; M41-L49 HydrophobicContact SD-CD2 3.91Å
42T73Confident70Confident77 Ų7771.4 Ų71.447%0.47237%0.366SS..  trans-68.9153.9168.660.30000110.5D44 L45 R46T42-D44 PolarHBondContact O-N 2.86Å; T42-L45 PolarHBondContact O-N 2.67Å; T42-L45 WeakPolarHBondContact OG1-CB 3.43Å; T42-L45 WeakPolarHBondContact OG1-CD1 3.42Å; T42-L45 VanDerWaalsContact OG1-CG 3.32Å; T42-L45 WeakPolarHBondContact OG1-CG 3.24Å; T42-R46 PolarHBondContact O-N 3.17Å
43H71.9Confident70.3Confident150 Ų15072.1 Ų72.169%0.69437%0.369SS*.Hα-helixtrans-55.3-41.3-179.1-177.2-80.3000112.1R46 H47H43-R46 PolarHBondContact O-N 3.4Å; H43-H47 WeakPolarHBondContact O-CB 3.48Å; H43-H47 PolarHBondContact O-N 3.08Å
44D70.6Confident70.9Confident128 Ų12872.3 Ų72.368%0.68437%0.369SS*.Hα-helixtrans-66.4-42.1179.8-59.7-24.6000112.3T42 R46 H47 L48T42-D44 PolarHBondContact O-N 2.86Å; D44-R46 VanDerWaalsContact C-N 3.34Å; D44-R46 PolarHBondContact O-N 2.96Å; D44-H47 PolarHBondContact O-N 3.07Å; D44-L48 VanDerWaalsContact O-CB 3.27Å; D44-L48 WeakPolarHBondContact O-CB 3.42Å; D44-L48 PolarHBondContact O-N 3.29Å
45L70.7Confident71.3Confident33 Ų3368.5 Ų68.517%0.17335%0.352CS..Hα-helixtrans-63.5-41.8175.5-79.2170.9000111.2L20 M41 T42 L48 L49L20-L45 HydrophobicContact CD1-CD2 3.8Å; M41-L45 HydrophobicContact CB-CB 4.33Å; T42-L45 PolarHBondContact O-N 2.67Å; T42-L45 WeakPolarHBondContact OG1-CB 3.43Å; T42-L45 WeakPolarHBondContact OG1-CD1 3.42Å; T42-L45 VanDerWaalsContact OG1-CG 3.32Å; T42-L45 WeakPolarHBondContact OG1-CG 3.24Å; L45-L48 PolarHBondContact O-N 3.28Å; L45-L49 VanDerWaalsContact O-CB 3.3Å; L45-L49 WeakPolarHBondContact O-CB 3.45Å; L45-L49 PolarHBondContact O-N 2.97Å
46R71.9Confident71.7Confident136 Ų13668.7 Ų68.751%0.51335%0.353SS..Hα-helixtrans-66.1-45.3179.4-168.3171.7-172.3146.63.7111.7T42 H43 D44 L48 L49 D50T42-R46 PolarHBondContact O-N 3.17Å; H43-R46 PolarHBondContact O-N 3.4Å; D44-R46 VanDerWaalsContact C-N 3.34Å; D44-R46 PolarHBondContact O-N 2.96Å; R46-L48 VanDerWaalsContact C-N 3.32Å; R46-L48 PolarHBondContact O-N 3.39Å; R46-L49 PolarHBondContact O-N 2.99Å; R46-D50 WeakPolarHBondContact O-CB 3.06Å; R46-D50 PolarHBondContact O-N 2.81Å
47H75.6Confident72.3Confident107 Ų10772 Ų7250%0.49537%0.371SS..Hα-helixtrans-61.5-41.7175.9-177.4-86.4000111.9H43 D44 D50 N51H43-H47 WeakPolarHBondContact O-CB 3.48Å; H43-H47 PolarHBondContact O-N 3.08Å; D44-H47 PolarHBondContact O-N 3.07Å; H47-D50 PolarHBondContact O-N 3.22Å; H47-N51 PolarHBondContact CE1-ND2 3.39Å; H47-N51 VanDerWaalsContact CE1-ND2 3.26Å; H47-N51 PolarHBondContact ND1-ND2 3.07Å; H47-N51 WeakPolarHBondContact O-CB 3.33Å; H47-N51 PolarHBondContact O-N 3.28Å
48L73.3Confident72.9Confident69 Ų6970.2 Ų70.236%0.36136%0.358SS..Hα-helixtrans-63.1-43.9175.3-170.8140.6000111L20 D44 L45 R46 N51 L52 T134L20-L48 HydrophobicContact CD1-CD2 3.97Å; L20-L48 HydrophobicContact CD2-CD2 4.13Å; L20-L48 HydrophobicContact CG-CD2 4.4Å; D44-L48 VanDerWaalsContact O-CB 3.27Å; D44-L48 WeakPolarHBondContact O-CB 3.42Å; D44-L48 PolarHBondContact O-N 3.29Å; L45-L48 PolarHBondContact O-N 3.28Å; R46-L48 VanDerWaalsContact C-N 3.32Å; R46-L48 PolarHBondContact O-N 3.39Å; L48-N51 PolarHBondContact O-N 3.34Å; L48-L52 HydrophobicContact CD2-CD1 3.46Å; L48-L52 VanDerWaalsContact CD2-CD1 3.46Å; L48-L52 HydrophobicContact CD2-CG 4.34Å; L48-L52 HydrophobicContact CG-CD1 4.38Å; L48-L52 WeakPolarHBondContact O-CB 3.41Å; L48-L52 WeakPolarHBondContact O-CD1 3.38Å; L48-L52 WeakPolarHBondContact O-CG 3.39Å; L48-L52 PolarHBondContact O-N 3.2Å; L48-T134 HydrophobicContact CD2-CG2 4Å
49L72.6Confident73.4Confident2 Ų264.2 Ų64.21%0.0134%0.335CS..Hα-helixtrans-66.5-38.9177.2-161.868.7000112.8L20 I36 M41 L45 R46 L52 I53L20-L49 HydrophobicContact CD1-CD1 4.45Å; I36-L49 HydrophobicContact CD1-CD2 3.33Å; I36-L49 HydrophobicContact CD1-CG 4.05Å; I36-L49 HydrophobicContact CG1-CD2 3.44Å; I36-L49 VanDerWaalsContact CG1-CD2 3.44Å; M41-L49 HydrophobicContact CE-CD2 3.78Å; M41-L49 HydrophobicContact SD-CD2 3.91Å; L45-L49 VanDerWaalsContact O-CB 3.3Å; L45-L49 WeakPolarHBondContact O-CB 3.45Å; L45-L49 PolarHBondContact O-N 2.97Å; R46-L49 PolarHBondContact O-N 2.99Å; L49-L52 HydrophobicContact CD1-CD1 4.48Å; L49-L52 WeakPolarHBondContact O-CB 3.17Å; L49-L52 PolarHBondContact O-N 2.7Å; L49-I53 HydrophobicContact CG-CD1 4.15Å; L49-I53 WeakPolarHBondContact O-CB 3.3Å; L49-I53 WeakPolarHBondContact O-CD1 3.43Å; L49-I53 VanDerWaalsContact O-CG1 3.22Å; L49-I53 WeakPolarHBondContact O-CG1 3.41Å; L49-I53 PolarHBondContact O-N 2.74Å
50D75.2Confident73.8Confident80 Ų8070 Ų7043%0.42836%0.355SS..Hα-helixtrans-64.2-43.2175.9-76.3-24.8000111.2R46 H47 L52 I53 H54R46-D50 WeakPolarHBondContact O-CB 3.06Å; R46-D50 PolarHBondContact O-N 2.81Å; H47-D50 PolarHBondContact O-N 3.22Å; D50-L52 VanDerWaalsContact C-N 3.31Å; D50-L52 PolarHBondContact O-N 3.24Å; D50-I53 PolarHBondContact O-N 2.82Å; D50-H54 WeakPolarHBondContact O-CB 3.23Å; D50-H54 PolarHBondContact O-N 3.3Å
51N76.5Confident74.3Confident87 Ų8769.5 Ų69.547%0.46535%0.352SS..Hα-helixtrans-60.5-42.4172.7-76.3-13.5000111.5H47 L48 H54 T55H47-N51 PolarHBondContact CE1-ND2 3.39Å; H47-N51 VanDerWaalsContact CE1-ND2 3.26Å; H47-N51 PolarHBondContact ND1-ND2 3.07Å; H47-N51 WeakPolarHBondContact O-CB 3.33Å; H47-N51 PolarHBondContact O-N 3.28Å; L48-N51 PolarHBondContact O-N 3.34Å; N51-H54 WeakPolarHBondContact O-CB 3.38Å; N51-H54 PolarHBondContact O-N 3Å; N51-T55 WeakPolarHBondContact O-CG2 3.45Å; N51-T55 PolarHBondContact O-N 2.85Å; N51-T55 PolarHBondContact O-OG1 2.66Å
52L73.2Confident74.7Confident10 Ų1070.3 Ų70.35%0.05236%0.356CS..Hα-helixtrans-64.8-45.9177.1-71.2166.1000111.9L48 L49 D50 H54 T55 L56 T134 E135 I138L48-L52 HydrophobicContact CD2-CD1 3.46Å; L48-L52 VanDerWaalsContact CD2-CD1 3.46Å; L48-L52 HydrophobicContact CD2-CG 4.34Å; L48-L52 HydrophobicContact CG-CD1 4.38Å; L48-L52 WeakPolarHBondContact O-CB 3.41Å; L48-L52 WeakPolarHBondContact O-CD1 3.38Å; L48-L52 WeakPolarHBondContact O-CG 3.39Å; L48-L52 PolarHBondContact O-N 3.2Å; L49-L52 HydrophobicContact CD1-CD1 4.48Å; L49-L52 WeakPolarHBondContact O-CB 3.17Å; L49-L52 PolarHBondContact O-N 2.7Å; D50-L52 VanDerWaalsContact C-N 3.31Å; D50-L52 PolarHBondContact O-N 3.24Å; L52-H54 VanDerWaalsContact C-N 3.26Å; L52-H54 PolarHBondContact O-N 2.66Å; L52-T55 WeakPolarHBondContact CA-OG1 3.24Å; L52-T55 PolarHBondContact O-N 2.85Å; L52-T55 VanDerWaalsContact O-N 3.16Å; L52-T55 PolarHBondContact O-OG1 2.91Å; L52-L56 WeakPolarHBondContact O-CB 3.33Å; L52-L56 WeakPolarHBondContact O-CG 3.36Å; L52-L56 PolarHBondContact O-N 3.49Å; L52-T134 HydrophobicContact CD1-CG2 4.01Å; L52-E135 HydrophobicContact CD2-CB 4.2Å; L52-E135 HydrophobicContact CD2-CG 4.15Å; L52-I138 HydrophobicContact CD1-CD1 3.39Å; L52-I138 HydrophobicContact CD2-CD1 3.79Å; L52-I138 HydrophobicContact CG-CD1 4.09Å
53I75Confident75.1Confident18 Ų1874.4 Ų74.49%0.09237%0.368CS..Hα-helixtrans-60.1-40.8175.6-70163.1000110.1L32 M33 I36 L49 D50 L56 N57L32-I53 HydrophobicContact CD2-CD1 4Å; L32-I53 HydrophobicContact CD2-CG1 3.79Å; M33-I53 HydrophobicContact SD-CD1 4.15Å; I36-I53 HydrophobicContact CD1-CD1 3.48Å; I36-I53 VanDerWaalsContact CD1-CD1 3.48Å; L49-I53 HydrophobicContact CG-CD1 4.15Å; L49-I53 WeakPolarHBondContact O-CB 3.3Å; L49-I53 WeakPolarHBondContact O-CD1 3.43Å; L49-I53 VanDerWaalsContact O-CG1 3.22Å; L49-I53 WeakPolarHBondContact O-CG1 3.41Å; L49-I53 PolarHBondContact O-N 2.74Å; D50-I53 PolarHBondContact O-N 2.82Å; I53-L56 PolarHBondContact O-N 3.34Å; I53-N57 WeakPolarHBondContact CG2-ND2 3.25Å; I53-N57 VanDerWaalsContact O-CB 3.25Å; I53-N57 WeakPolarHBondContact O-CB 3.5Å; I53-N57 PolarHBondContact O-N 2.84Å; I53-N57 PolarHBondContact O-ND2 3.11Å
54H78.7Confident75.5Confident124 Ų12467.7 Ų67.757%0.57434%0.337SS*.Hα-helixtrans-60-48.8174.7-174.166.2000111.4D50 N51 L52 L56 N57 C58D50-H54 WeakPolarHBondContact O-CB 3.23Å; D50-H54 PolarHBondContact O-N 3.3Å; N51-H54 WeakPolarHBondContact O-CB 3.38Å; N51-H54 PolarHBondContact O-N 3Å; L52-H54 VanDerWaalsContact C-N 3.26Å; L52-H54 PolarHBondContact O-N 2.66Å; H54-L56 PolarHBondContact O-N 3.18Å; H54-N57 PolarHBondContact O-N 3.36Å; H54-C58 PolarHBondContact O-N 3.4Å; H54-C58 PolarHBondContact O-SG 3.22Å
55T74.8Confident76.1Confident22 Ų2264.8 Ų64.814%0.13533%0.325CS..Hα-helixtrans-60.5-46.5176.357.60000112.3N51 L52 N57 C58 L59N51-T55 WeakPolarHBondContact O-CG2 3.45Å; N51-T55 PolarHBondContact O-N 2.85Å; N51-T55 PolarHBondContact O-OG1 2.66Å; L52-T55 WeakPolarHBondContact CA-OG1 3.24Å; L52-T55 PolarHBondContact O-N 2.85Å; L52-T55 VanDerWaalsContact O-N 3.16Å; L52-T55 PolarHBondContact O-OG1 2.91Å; T55-N57 VanDerWaalsContact C-N 3.35Å; T55-N57 PolarHBondContact O-N 3.3Å; T55-C58 WeakPolarHBondContact O-CB 3.23Å; T55-C58 PolarHBondContact O-N 3.49Å; T55-L59 VanDerWaalsContact O-CG 3.24Å; T55-L59 WeakPolarHBondContact O-CG 3.43Å; T55-L59 PolarHBondContact O-N 3.01Å
56L75.4Confident76.7Confident4 Ų466.5 Ų66.52%0.02134%0.337CS..Hα-helixtrans-61.9-41177.6-73.7172.9000112.1Y27 L52 I53 H54 L59 R60 I138 F142Y27-L56 HydrophobicContact CD1-CB 4.39Å; Y27-L56 HydrophobicContact CD1-CD1 4.04Å; Y27-L56 HydrophobicContact CD2-CB 4.44Å; Y27-L56 HydrophobicContact CD2-CD1 3.95Å; Y27-L56 HydrophobicContact CE1-CB 3.89Å; Y27-L56 HydrophobicContact CE1-CD1 4.37Å; Y27-L56 HydrophobicContact CE2-CB 3.94Å; Y27-L56 HydrophobicContact CE2-CD1 4.29Å; Y27-L56 HydrophobicContact CG-CD1 3.82Å; L52-L56 WeakPolarHBondContact O-CB 3.33Å; L52-L56 WeakPolarHBondContact O-CG 3.36Å; L52-L56 PolarHBondContact O-N 3.49Å; I53-L56 PolarHBondContact O-N 3.34Å; H54-L56 PolarHBondContact O-N 3.18Å; L56-L59 CarbonylContact O-C 3.58Å; L56-L59 PolarHBondContact O-N 3.43Å; L56-L59 VanDerWaalsContact O-N 3.14Å; L56-R60 WeakPolarHBondContact O-CB 3.4Å; L56-R60 PolarHBondContact O-N 2.92Å; L56-I138 HydrophobicContact CD1-CG2 3.83Å; L56-I138 HydrophobicContact CD2-CG2 3.9Å; L56-I138 HydrophobicContact CG-CG2 4.08Å; L56-F142 HydrophobicContact CD2-CB 3.94Å; L56-F142 HydrophobicContact CD2-CD2 3.73Å; L56-F142 HydrophobicContact CD2-CE2 4.43Å; L56-F142 HydrophobicContact CD2-CG 3.85Å
57N78.6Confident77.2Confident82 Ų8261 Ų6144%0.43932%0.317SS..Hα-helixtrans-64.2-40.4176-74.1-21.9000111.9Y27 I53 H54 T55 L59 R60Y27-N57 PolarHBondContact OH-N 3.03Å; Y27-N57 PolarHBondContact OH-OD1 2.98Å; I53-N57 WeakPolarHBondContact CG2-ND2 3.25Å; I53-N57 VanDerWaalsContact O-CB 3.25Å; I53-N57 WeakPolarHBondContact O-CB 3.5Å; I53-N57 PolarHBondContact O-N 2.84Å; I53-N57 PolarHBondContact O-ND2 3.11Å; H54-N57 PolarHBondContact O-N 3.36Å; T55-N57 VanDerWaalsContact C-N 3.35Å; T55-N57 PolarHBondContact O-N 3.3Å; N57-L59 VanDerWaalsContact C-N 3.28Å; N57-L59 PolarHBondContact O-N 3.16Å; N57-R60 PolarHBondContact O-N 2.97Å
58C78.2Confident77.6Confident54 Ų5458 Ų5837%0.36530%0.301SS..Hα-helixtrans-60-41.6172.1-68.70000111.2H54 T55 S61 A95H54-C58 PolarHBondContact O-N 3.4Å; H54-C58 PolarHBondContact O-SG 3.22Å; T55-C58 WeakPolarHBondContact O-CB 3.23Å; T55-C58 PolarHBondContact O-N 3.49Å; C58-S61 PolarHBondContact O-OG 3.37Å; C58-A95 HydrophobicContact CB-CB 4.22Å
59L76.2Confident78.1Confident1 Ų161.2 Ų61.21%0.00532%0.315CS..Hα-helixtrans-74.4-29.2-179.2-63.7174.4000113.7T55 L56 N57 S61 L62 A95 L99 I139 F142T55-L59 VanDerWaalsContact O-CG 3.24Å; T55-L59 WeakPolarHBondContact O-CG 3.43Å; T55-L59 PolarHBondContact O-N 3.01Å; L56-L59 CarbonylContact O-C 3.58Å; L56-L59 PolarHBondContact O-N 3.43Å; L56-L59 VanDerWaalsContact O-N 3.14Å; N57-L59 VanDerWaalsContact C-N 3.28Å; N57-L59 PolarHBondContact O-N 3.16Å; L59-S61 PolarHBondContact O-N 2.88Å; L59-S61 VanDerWaalsContact O-N 3.12Å; L59-L62 HydrophobicContact CD2-CD1 3.74Å; L59-L62 WeakPolarHBondContact O-CB 3.4Å; L59-L62 PolarHBondContact O-N 3.32Å; L59-A95 HydrophobicContact CD2-CB 4.33Å; L59-L99 HydrophobicContact CD1-CD1 4.31Å; L59-L99 HydrophobicContact CD2-CB 3.86Å; L59-L99 HydrophobicContact CD2-CD1 4.16Å; L59-L99 HydrophobicContact CD2-CD2 4.09Å; L59-L99 HydrophobicContact CD2-CG 4.25Å; L59-I139 HydrophobicContact CD1-CG1 4.22Å; L59-I139 HydrophobicContact CD1-CG2 4.34Å; L59-F142 HydrophobicContact CB-CD1 4.08Å; L59-F142 HydrophobicContact CB-CE1 3.56Å; L59-F142 HydrophobicContact CB-CZ 4.19Å; L59-F142 HydrophobicContact CD1-CD1 4.3Å
60R74.9Confident78.7Confident139 Ų13965.2 Ų65.253%0.52533%0.333SS..Hα-helixtrans-57.7-26.9-179.8-168.4174.3-177.4165.83.9113.5D30 L56 N57 L62D30-R60 IonicContact OD1-CZ 3.13Å; D30-R60 IonicContact OD1-NH1 3.08Å; D30-R60 PolarHBondContact OD1-NH1 3.32Å; D30-R60 IonicContact OD1-NH2 2.94Å; D30-R60 PolarHBondContact OD1-NH2 3.49Å; D30-R60 VanDerWaalsContact OD1-NH2 3.13Å; D30-R60 IonicContact OD2-NH2 3.51Å; D30-R60 PolarHBondContact OD2-NH2 3.23Å; L56-R60 WeakPolarHBondContact O-CB 3.4Å; L56-R60 PolarHBondContact O-N 2.92Å; N57-R60 PolarHBondContact O-N 2.97Å; R60-L62 VanDerWaalsContact C-N 3.3Å; R60-L62 PolarHBondContact O-N 2.84Å
61S75.3Confident79Confident100 Ų10061.4 Ų61.470%0.69931%0.313SS*.THydrogen-bonded Turntrans-76.5-13.1177.469.30000114.4C58 L59C58-S61 PolarHBondContact O-OG 3.37Å; L59-S61 PolarHBondContact O-N 2.88Å; L59-S61 VanDerWaalsContact O-N 3.12Å
62L77.1Confident79.2Confident53 Ų5359.1 Ų59.128%0.27730%0.304SS..SBendtrans-91.9138.1-172.7-59.5172.1000111.7L59 R60 I64 L67 L96 L99L59-L62 HydrophobicContact CD2-CD1 3.74Å; L59-L62 WeakPolarHBondContact O-CB 3.4Å; L59-L62 PolarHBondContact O-N 3.32Å; R60-L62 VanDerWaalsContact C-N 3.3Å; R60-L62 PolarHBondContact O-N 2.84Å; L62-I64 PolarHBondContact O-N 3.42Å; L62-I64 VanDerWaalsContact O-N 3.1Å; L62-L67 HydrophobicContact CB-CD1 3.87Å; L62-L67 HydrophobicContact CD1-CD1 4.16Å; L62-L67 HydrophobicContact CG-CD1 4.42Å; L62-L96 HydrophobicContact CD1-CD1 3.57Å; L62-L96 HydrophobicContact CD2-CD1 4.12Å; L62-L96 HydrophobicContact CG-CD1 4.5Å; L62-L99 HydrophobicContact CD1-CD2 4.08Å
63K80.9Confident79.6Confident164 Ų16462.2 Ų62.271%0.71332%0.323SS*.  trans-80.787.5171.9-67.3-176.5179.3-179.90110P65 V66 L67K63-P65 VanDerWaalsContact C-CD 3.49Å; K63-V66 HydrophobicContact CB-CB 4.15Å; K63-V66 HydrophobicContact CB-CG2 3.86Å; K63-V66 HydrophobicContact CD-CG2 4.23Å; K63-V66 WeakPolarHBondContact O-CB 3.4Å; K63-V66 PolarHBondContact O-N 3.06Å; K63-L67 PolarHBondContact O-N 3.37Å
64I82Confident79.8Confident9 Ų965.4 Ų65.45%0.04634%0.337CS..Hα-helixtrans-50.8-44.9-178.1-60.1171.6000113L62 V66 L67 W68 F142 L147L62-I64 PolarHBondContact O-N 3.42Å; L62-I64 VanDerWaalsContact O-N 3.1Å; I64-V66 VanDerWaalsContact C-N 3.26Å; I64-V66 PolarHBondContact O-N 2.84Å; I64-L67 PolarHBondContact O-N 3.39Å; I64-L67 VanDerWaalsContact O-N 3.16Å; I64-W68 WeakPolarHBondContact O-CB 3.43Å; I64-W68 PolarHBondContact O-N 3.38Å; I64-F142 HydrophobicContact CD1-CD1 3.73Å; I64-F142 HydrophobicContact CD1-CE1 3.45Å; I64-F142 VanDerWaalsContact CD1-CE1 3.45Å; I64-F142 HydrophobicContact CD1-CZ 4.18Å; I64-F142 HydrophobicContact CG1-CE1 4.34Å; I64-L147 HydrophobicContact CG2-CD2 3.68Å; I64-L147 HydrophobicContact CG2-CG 3.96Å
65P82.1Confident79.6Confident67 Ų6760.7 Ų60.744%0.43532%0.315SS..Hα-helixtrans-59.8-34.6179.2-2635.9000113.9K63 W68 E69K63-P65 VanDerWaalsContact C-CD 3.49Å; P65-W68 WeakPolarHBondContact O-CB 3.49Å; P65-W68 PolarHBondContact O-N 3.13Å; P65-E69 PolarHBondContact O-N 2.94Å; P65-E69 VanDerWaalsContact O-N 3.1Å
66V83.2Confident79.7Confident69 Ų6964.1 Ų64.142%0.41834%0.34SS..Hα-helixtrans-70-45.2177.1-179.40000110.1K63 I64 W68 E69 E70K63-V66 HydrophobicContact CB-CB 4.15Å; K63-V66 HydrophobicContact CB-CG2 3.86Å; K63-V66 HydrophobicContact CD-CG2 4.23Å; K63-V66 WeakPolarHBondContact O-CB 3.4Å; K63-V66 PolarHBondContact O-N 3.06Å; I64-V66 VanDerWaalsContact C-N 3.26Å; I64-V66 PolarHBondContact O-N 2.84Å; V66-W68 PolarHBondContact O-N 2.69Å; V66-E69 PolarHBondContact O-N 2.88Å; V66-E70 WeakPolarHBondContact O-CG 3.49Å; V66-E70 PolarHBondContact O-N 3.05Å
67L83.2Confident79.7Confident19 Ų1971 Ų7110%0.09938%0.376CS..Hα-helixtrans-62.8-32.7175.6-71.6169000112.2L62 K63 I64 T71 L96 L99 L103L62-L67 HydrophobicContact CB-CD1 3.87Å; L62-L67 HydrophobicContact CD1-CD1 4.16Å; L62-L67 HydrophobicContact CG-CD1 4.42Å; K63-L67 PolarHBondContact O-N 3.37Å; I64-L67 PolarHBondContact O-N 3.39Å; I64-L67 VanDerWaalsContact O-N 3.16Å; L67-T71 WeakPolarHBondContact O-CB 3.16Å; L67-T71 VanDerWaalsContact O-CG2 3.29Å; L67-T71 WeakPolarHBondContact O-CG2 3.25Å; L67-T71 PolarHBondContact O-N 3.21Å; L67-T71 PolarHBondContact O-OG1 3.36Å; L67-L96 HydrophobicContact CD1-CD1 4.08Å; L67-L96 HydrophobicContact CD2-CD1 4.32Å; L67-L99 HydrophobicContact CD1-CD2 3.76Å; L67-L103 HydrophobicContact CB-CD1 4.12Å
68W83.1Confident78.9Confident44 Ų4469.6 Ų69.617%0.16737%0.373CS..Hα-helixtrans-65.4-45.8173.9179-90.4000112.2I64 P65 V66 T71 C72 L103 I106 I107 L147 L152I64-W68 WeakPolarHBondContact O-CB 3.43Å; I64-W68 PolarHBondContact O-N 3.38Å; P65-W68 WeakPolarHBondContact O-CB 3.49Å; P65-W68 PolarHBondContact O-N 3.13Å; V66-W68 PolarHBondContact O-N 2.69Å; W68-T71 WeakPolarHBondContact CA-OG1 3.36Å; W68-T71 PolarHBondContact O-N 3.26Å; W68-T71 PolarHBondContact O-OG1 3.33Å; W68-C72 PolarHBondContact NE1-SG 2.85Å; W68-C72 VanDerWaalsContact NE1-SG 3.37Å; W68-C72 WeakPolarHBondContact O-CB 3.43Å; W68-C72 PolarHBondContact O-N 2.94Å; W68-C72 PolarHBondContact O-SG 3.45Å; W68-L103 HydrophobicContact CE3-CD2 3.56Å; W68-L103 HydrophobicContact CZ3-CD2 3.88Å; W68-I106 HydrophobicContact CH2-CB 4.37Å; W68-I106 HydrophobicContact CH2-CG2 3.82Å; W68-I106 HydrophobicContact CZ3-CB 4.27Å; W68-I106 HydrophobicContact CZ3-CG2 4.04Å; W68-I107 HydrophobicContact CH2-CD1 4.36Å; W68-I107 HydrophobicContact CH2-CG1 3.5Å; W68-I107 HydrophobicContact CZ2-CG1 3.86Å; W68-I107 HydrophobicContact CZ3-CD1 4.44Å; W68-I107 HydrophobicContact CZ3-CG1 3.94Å; W68-L147 HydrophobicContact CB-CD2 3.48Å; W68-L147 VanDerWaalsContact CB-CD2 3.48Å; W68-L147 HydrophobicContact CD2-CD1 3.87Å; W68-L147 HydrophobicContact CD2-CD2 3.83Å; W68-L147 HydrophobicContact CE3-CD1 3.37Å; W68-L147 HydrophobicContact CE3-CD2 3.94Å; W68-L147 HydrophobicContact CE3-CG 4.3Å; W68-L147 HydrophobicContact CG-CD2 3.61Å; W68-L147 HydrophobicContact CH2-CD1 4.44Å; W68-L147 HydrophobicContact CZ3-CD1 3.72Å; W68-L152 HydrophobicContact CH2-CD1 4Å; W68-L152 HydrophobicContact CH2-CD2 3.7Å; W68-L152 HydrophobicContact CH2-CG 4.48Å; W68-L152 HydrophobicContact CZ2-CD1 4.08Å; W68-L152 HydrophobicContact CZ2-CD2 4.1Å; W68-L152 HydrophobicContact CZ3-CD2 4.04Å
69E84.3Confident77.8Confident138 Ų13872.5 Ų72.565%0.64539%0.393SS*.Hα-helixtrans-63.1-45175.4-74.2-178.3177.600111.2P65 V66 T71 C72 T73P65-E69 PolarHBondContact O-N 2.94Å; P65-E69 VanDerWaalsContact O-N 3.1Å; V66-E69 PolarHBondContact O-N 2.88Å; E69-T71 PolarHBondContact O-N 3.32Å; E69-C72 PolarHBondContact O-N 3.05Å; E69-T73 WeakPolarHBondContact O-CG2 3.2Å; E69-T73 PolarHBondContact O-N 3.12Å; E69-T73 PolarHBondContact O-OG1 2.85Å
70E84.6Confident76.8Confident85 Ų8578.4 Ų78.440%0.39742%0.423SS..Hα-helixtrans-57.5-50.7175.3-74.1177.8-173.500111.4V66 C72 T73 E74V66-E70 WeakPolarHBondContact O-CG 3.49Å; V66-E70 PolarHBondContact O-N 3.05Å; E70-C72 VanDerWaalsContact C-N 3.35Å; E70-C72 PolarHBondContact O-N 3.24Å; E70-T73 PolarHBondContact O-N 2.88Å; E70-T73 VanDerWaalsContact O-N 3.13Å; E70-T73 PolarHBondContact O-OG1 2.67Å; E70-E74 WeakPolarHBondContact O-CG 3.4Å; E70-E74 PolarHBondContact O-N 3.27Å
71T81.3Confident75.7Confident0 Ų073.1 Ų73.10%041%0.407CS..Hα-helixtrans-65.2-35.7178.748.90000112.5L67 W68 E69 T73 E74 Y75 K100 L103L67-T71 WeakPolarHBondContact O-CB 3.16Å; L67-T71 VanDerWaalsContact O-CG2 3.29Å; L67-T71 WeakPolarHBondContact O-CG2 3.25Å; L67-T71 PolarHBondContact O-N 3.21Å; L67-T71 PolarHBondContact O-OG1 3.36Å; W68-T71 WeakPolarHBondContact CA-OG1 3.36Å; W68-T71 PolarHBondContact O-N 3.26Å; W68-T71 PolarHBondContact O-OG1 3.33Å; E69-T71 PolarHBondContact O-N 3.32Å; T71-T73 VanDerWaalsContact C-N 3.34Å; T71-E74 PolarHBondContact O-N 3.2Å; T71-Y75 VanDerWaalsContact O-CB 3.25Å; T71-Y75 WeakPolarHBondContact O-CB 3.35Å; T71-Y75 PolarHBondContact O-N 2.99Å; T71-K100 HydrophobicContact CG2-CG 4.23Å; T71-L103 HydrophobicContact CG2-CB 4.11Å; T71-L103 HydrophobicContact CG2-CD1 4.08Å
72C80.5Confident74.8Confident40 Ų4072.7 Ų72.727%0.2740%0.404SS..Hα-helixtrans-62.8-40.8171.6-72.80000111.8W68 E69 E70 Y75 S76W68-C72 PolarHBondContact NE1-SG 2.85Å; W68-C72 VanDerWaalsContact NE1-SG 3.37Å; W68-C72 WeakPolarHBondContact O-CB 3.43Å; W68-C72 PolarHBondContact O-N 2.94Å; W68-C72 PolarHBondContact O-SG 3.45Å; E69-C72 PolarHBondContact O-N 3.05Å; E70-C72 VanDerWaalsContact C-N 3.35Å; E70-C72 PolarHBondContact O-N 3.24Å; C72-Y75 PolarHBondContact O-N 3.44Å; C72-S76 WeakPolarHBondContact O-CB 3.4Å; C72-S76 PolarHBondContact O-N 3.12Å
73T81.6Confident74.1Confident75 Ų7571.6 Ų71.646%0.4640%0.397SS..Hα-helixtrans-67.6-45175.960.20000111.8E69 E70 T71 Y75 S76 L77E69-T73 WeakPolarHBondContact O-CG2 3.2Å; E69-T73 PolarHBondContact O-N 3.12Å; E69-T73 PolarHBondContact O-OG1 2.85Å; E70-T73 PolarHBondContact O-N 2.88Å; E70-T73 VanDerWaalsContact O-N 3.13Å; E70-T73 PolarHBondContact O-OG1 2.67Å; T71-T73 VanDerWaalsContact C-N 3.34Å; T73-Y75 VanDerWaalsContact C-N 3.28Å; T73-Y75 PolarHBondContact O-N 3.36Å; T73-S76 PolarHBondContact O-N 3.41Å; T73-S76 PolarHBondContact O-OG 3.34Å; T73-L77 VanDerWaalsContact O-CG 3.3Å; T73-L77 WeakPolarHBondContact O-CG 3.45Å; T73-L77 PolarHBondContact O-N 2.9Å
74E79.3Confident73.1Confident84 Ų8466.9 Ų66.939%0.39338%0.383SS..Hα-helixtrans-57.2-42173.6-74.5177.3-177.600111E70 T71 L77 S78 K100E70-E74 WeakPolarHBondContact O-CG 3.4Å; E70-E74 PolarHBondContact O-N 3.27Å; T71-E74 PolarHBondContact O-N 3.2Å; E74-L77 PolarHBondContact O-N 2.97Å; E74-S78 WeakPolarHBondContact O-CB 3.46Å; E74-S78 PolarHBondContact O-N 3.38Å; E74-S78 PolarHBondContact O-OG 3.11Å; E74-K100 IonicContact OE1-NZ 3.7Å; E74-K100 PolarHBondContact OE1-NZ 2.7Å; E74-K100 VanDerWaalsContact OE1-NZ 3.13Å; E74-K100 IonicContact OE2-NZ 3.3Å
75Y76Confident72.3Confident25 Ų2569 Ų6910%0.09840%0.399CS..Hα-helixtrans-63.5-46.1176.2-161.9-92.6000112.2T71 C72 T73 L77 S78 P81 L104 I107 H108 D112T71-Y75 VanDerWaalsContact O-CB 3.25Å; T71-Y75 WeakPolarHBondContact O-CB 3.35Å; T71-Y75 PolarHBondContact O-N 2.99Å; C72-Y75 PolarHBondContact O-N 3.44Å; T73-Y75 VanDerWaalsContact C-N 3.28Å; T73-Y75 PolarHBondContact O-N 3.36Å; Y75-L77 PolarHBondContact O-N 3.41Å; Y75-S78 PolarHBondContact O-N 2.87Å; Y75-S78 PolarHBondContact O-OG 3.31Å; Y75-P81 HydrophobicContact CE2-CG 3.73Å; Y75-L104 HydrophobicContact CD2-CD2 3.83Å; Y75-L104 HydrophobicContact CD2-CG 4.26Å; Y75-L104 HydrophobicContact CE2-CD2 4.16Å; Y75-I107 HydrophobicContact CD1-CG2 3.68Å; Y75-I107 HydrophobicContact CD2-CB 4.44Å; Y75-I107 HydrophobicContact CD2-CG2 3.84Å; Y75-I107 HydrophobicContact CE1-CG2 4.07Å; Y75-I107 HydrophobicContact CE2-CG2 4.18Å; Y75-I107 HydrophobicContact CG-CG2 3.56Å; Y75-H108 HydrophobicContact CE2-CB 4.1Å; Y75-H108 WeakPolarHBondContact OH-CA 3.23Å; Y75-H108 WeakPolarHBondContact OH-CB 3.31Å; Y75-H108 PolarHBondContact OH-ND1 3.21Å; Y75-D112 PolarHBondContact OH-OD2 3.3Å
76S76.3Confident71.9Confident95 Ų9566.2 Ų66.266%0.66438%0.381SS*.Hα-helixtrans-65.1-27179.772.10000113.5C72 T73C72-S76 WeakPolarHBondContact O-CB 3.4Å; C72-S76 PolarHBondContact O-N 3.12Å; T73-S76 PolarHBondContact O-N 3.41Å; T73-S76 PolarHBondContact O-OG 3.34Å
77L74.6Confident71.3Confident148 Ų14863.6 Ų63.678%0.77537%0.366SS*.Hα-helixtrans-86.4-24.8179.3-70.7168.8000112.9T73 E74 Y75T73-L77 VanDerWaalsContact O-CG 3.3Å; T73-L77 WeakPolarHBondContact O-CG 3.45Å; T73-L77 PolarHBondContact O-N 2.9Å; E74-L77 PolarHBondContact O-N 2.97Å; Y75-L77 PolarHBondContact O-N 3.41Å
78S62.4Low70.9Confident53 Ų5368.2 Ų68.237%0.37139%0.39SS..SBendtrans-90.7117.8-179.450.50000110.9E74 Y75 I80E74-S78 WeakPolarHBondContact O-CB 3.46Å; E74-S78 PolarHBondContact O-N 3.38Å; E74-S78 PolarHBondContact O-OG 3.11Å; Y75-S78 PolarHBondContact O-N 2.87Å; Y75-S78 PolarHBondContact O-OG 3.31Å; S78-I80 PolarHBondContact O-N 3.47Å
79S54.7Low70.7Confident115 Ų11569.6 Ų69.680%0.80440%0.401SS*.SBendtrans-71.2110.5171.655.90000109.8
80I54.7Low70.6Confident124 Ų12463 Ų6364%0.63637%0.37SS*.  trans52.394170.1-47.1170.3000112.9S78 S82S78-I80 PolarHBondContact O-N 3.47Å; I80-S82 PolarHBondContact O-N 3.4Å
81P52.7Low70.3Confident28 Ų2864.2 Ų64.218%0.18238%0.376CS..  trans-63.5111.3172.225.2-30.4000109.4Y75 F83 L104Y75-P81 HydrophobicContact CE2-CG 3.73Å; P81-F83 HydrophobicContact CB-CE1 4.19Å; P81-F83 HydrophobicContact CB-CE2 4.11Å; P81-F83 HydrophobicContact CB-CZ 3.87Å; P81-F83 HydrophobicContact CG-CE2 3.91Å; P81-F83 HydrophobicContact CG-CZ 3.78Å; P81-L104 HydrophobicContact CB-CD2 4.5Å
82S56.3Low70.2Confident91 Ų9168.5 Ų68.564%0.63641%0.406SS*.  trans-72.2128.6159.556.30000107.5I80 P84I80-S82 PolarHBondContact O-N 3.4Å; S82-P84 WeakPolarHBondContact O-CD 3.42Å
83F62.3Low70.2Confident31 Ų3169.5 Ų69.514%0.13641%0.407CS..  trans-105.659.3178.7-62.5-77.4000112.3P81 S85 L86 H108 C123P81-F83 HydrophobicContact CB-CE1 4.19Å; P81-F83 HydrophobicContact CB-CE2 4.11Å; P81-F83 HydrophobicContact CB-CZ 3.87Å; P81-F83 HydrophobicContact CG-CE2 3.91Å; P81-F83 HydrophobicContact CG-CZ 3.78Å; F83-S85 PolarHBondContact O-N 2.87Å; F83-L86 HydrophobicContact CD1-CD1 3.9Å; F83-L86 HydrophobicContact CD1-CD2 4.47Å; F83-H108 HydrophobicContact CE2-CB 4.34Å; F83-H108 AromaticContact CE2-CD2 3.75Å; F83-H108 AromaticContact CE2-CG 3.79Å; F83-H108 AromaticContact CE2-NE2 3.99Å; F83-H108 HydrophobicContact CZ-CB 4.13Å; F83-C123 HydrophobicContact CD2-CB 4.14Å; F83-C123 HydrophobicContact CE2-CB 4.49Å
84P59.3Low70.2Confident64 Ų6472.5 Ų72.542%0.41642%0.42SS..THydrogen-bonded Turntrans-70128175.529.5-31.3000109.4S82 N89S82-P84 WeakPolarHBondContact O-CD 3.42Å; P84-N89 PolarHBondContact O-ND2 3.23Å; P84-N89 VanDerWaalsContact O-ND2 3.16Å
85S66Low70Confident54 Ų5469.8 Ų69.838%0.37841%0.411SS..THydrogen-bonded Turntrans55.554175.5580000114.3F83 A87 L88 N89F83-S85 PolarHBondContact O-N 2.87Å; S85-A87 VanDerWaalsContact C-N 3.31Å; S85-A87 PolarHBondContact O-N 2.83Å; S85-L88 PolarHBondContact O-N 3.47Å; S85-N89 PolarHBondContact O-N 3.45Å; S85-N89 VanDerWaalsContact O-N 3.09Å; S85-N89 PolarHBondContact O-ND2 2.93Å
86L72.6Confident70.3Confident9 Ų972.4 Ų72.45%0.04743%0.427CS..Hα-helixtrans-61.2-39.8-174.4-173.962.4000111.9F83 N89 Y90 T101 E125 L126F83-L86 HydrophobicContact CD1-CD1 3.9Å; F83-L86 HydrophobicContact CD1-CD2 4.47Å; L86-N89 PolarHBondContact O-N 2.99Å; L86-Y90 VanDerWaalsContact O-CB 3.28Å; L86-Y90 WeakPolarHBondContact O-CB 3.17Å; L86-Y90 PolarHBondContact O-N 3.27Å; L86-T101 HydrophobicContact CD1-CG2 3.59Å; L86-T101 HydrophobicContact CG-CG2 4.49Å; L86-E125 PolarHBondContact N-OE2 3.24Å; L86-E125 VanDerWaalsContact N-OE2 3.11Å; L86-L126 HydrophobicContact CD2-CB 3.93Å; L86-L126 HydrophobicContact CG-CB 4.29Å
87A71.3Confident70.5Confident14 Ų1468.9 Ų68.912%0.11641%0.406CS..Hα-helixtrans-63.3-45.8179.100000112.5S85 Y90 E91 E125 L132S85-A87 VanDerWaalsContact C-N 3.31Å; S85-A87 PolarHBondContact O-N 2.83Å; A87-Y90 WeakPolarHBondContact O-CB 3.14Å; A87-Y90 PolarHBondContact O-N 2.77Å; A87-E91 WeakPolarHBondContact O-CG 3.43Å; A87-E91 PolarHBondContact O-N 3.48Å; A87-E125 HydrophobicContact CB-CG 4.36Å; A87-L132 HydrophobicContact CB-CD1 4.25Å
88L75.2Confident71Confident116 Ų11663.2 Ų63.261%0.60738%0.375SS*.Hα-helixtrans-64.7-42177.9-73169.4000111.9S85 Y90 E91 S92S85-L88 PolarHBondContact O-N 3.47Å; L88-Y90 VanDerWaalsContact C-N 3.32Å; L88-Y90 PolarHBondContact O-N 2.97Å; L88-E91 PolarHBondContact O-N 3.11Å; L88-S92 PolarHBondContact O-N 3.31Å; L88-S92 VanDerWaalsContact O-N 3.13Å
89N78.1Confident71.9Confident73 Ų7360.7 Ų60.739%0.3936%0.357SS..Hα-helixtrans-62.5-42.3175.5-74.9-32.1000111P84 S85 L86 S92 Q93P84-N89 PolarHBondContact O-ND2 3.23Å; P84-N89 VanDerWaalsContact O-ND2 3.16Å; S85-N89 PolarHBondContact O-N 3.45Å; S85-N89 VanDerWaalsContact O-N 3.09Å; S85-N89 PolarHBondContact O-ND2 2.93Å; L86-N89 PolarHBondContact O-N 2.99Å; N89-S92 PolarHBondContact O-N 3.12Å; N89-S92 PolarHBondContact O-OG 3.33Å; N89-Q93 WeakPolarHBondContact O-CG 3.26Å; N89-Q93 PolarHBondContact O-N 3.14Å
90Y82.3Confident73.3Confident0 Ų057.9 Ų57.90%033%0.33CS..Hα-helixtrans-62.7-45177.4-178.5-93.8000112.5L86 A87 L88 S92 Q93 K98 T101 L102 L126 L132 V136 I139L86-Y90 VanDerWaalsContact O-CB 3.28Å; L86-Y90 WeakPolarHBondContact O-CB 3.17Å; L86-Y90 PolarHBondContact O-N 3.27Å; A87-Y90 WeakPolarHBondContact O-CB 3.14Å; A87-Y90 PolarHBondContact O-N 2.77Å; L88-Y90 VanDerWaalsContact C-N 3.32Å; L88-Y90 PolarHBondContact O-N 2.97Å; Y90-S92 VanDerWaalsContact C-N 3.29Å; Y90-S92 PolarHBondContact O-N 3.07Å; Y90-Q93 PolarHBondContact O-N 2.98Å; Y90-K98 HydrophobicContact CD1-CD 4.44Å; Y90-K98 HydrophobicContact CD1-CG 4.46Å; Y90-K98 HydrophobicContact CD2-CB 4.11Å; Y90-K98 HydrophobicContact CD2-CG 4.07Å; Y90-K98 HydrophobicContact CE1-CD 3.89Å; Y90-K98 HydrophobicContact CE1-CG 4.2Å; Y90-K98 HydrophobicContact CE2-CB 3.51Å; Y90-K98 HydrophobicContact CE2-CD 4.25Å; Y90-K98 HydrophobicContact CE2-CG 3.78Å; Y90-K98 HydrophobicContact CG-CG 4.4Å; Y90-K98 WeakPolarHBondContact O-CE 3.4Å; Y90-K98 WeakPolarHBondContact O-CG 3.48Å; Y90-T101 HydrophobicContact CD2-CG2 4.24Å; Y90-L102 HydrophobicContact CE2-CD1 3.85Å; Y90-L102 HydrophobicContact CE2-CG 3.87Å; Y90-L126 HydrophobicContact CD1-CD1 3.65Å; Y90-L126 HydrophobicContact CD2-CD1 4.11Å; Y90-L126 HydrophobicContact CD2-CD2 3.72Å; Y90-L126 HydrophobicContact CE1-CD1 4.16Å; Y90-L126 HydrophobicContact CE2-CD2 4.03Å; Y90-L126 HydrophobicContact CG-CD1 3.62Å; Y90-L126 HydrophobicContact CG-CD2 4.07Å; Y90-L132 HydrophobicContact CD1-CD1 4.18Å; Y90-V136 HydrophobicContact CE1-CG2 4.19Å; Y90-I139 VanDerWaalsContact OH-CD1 3.23Å; Y90-I139 WeakPolarHBondContact OH-CD1 3.29Å
91E78.7Confident74.6Confident109 Ų10952.8 Ų52.851%0.50931%0.305SS..Hα-helixtrans-62.7-35.4177.6-75.2-178.1177.600112.7A87 L88 Q93 L132A87-E91 WeakPolarHBondContact O-CG 3.43Å; A87-E91 PolarHBondContact O-N 3.48Å; L88-E91 PolarHBondContact O-N 3.11Å; E91-Q93 VanDerWaalsContact C-N 3.27Å; E91-Q93 PolarHBondContact O-N 2.65Å; E91-L132 HydrophobicContact CG-CD1 4.21Å; E91-L132 HydrophobicContact CG-CD2 3.99Å
92S79.1Confident76.2Confident90 Ų9051.4 Ų51.463%0.62930%0.296SS*.Hα-helixtrans-74.6-11.9-179.674.40000114.9L88 N89 Y90L88-S92 PolarHBondContact O-N 3.31Å; L88-S92 VanDerWaalsContact O-N 3.13Å; N89-S92 PolarHBondContact O-N 3.12Å; N89-S92 PolarHBondContact O-OG 3.33Å; Y90-S92 VanDerWaalsContact C-N 3.29Å; Y90-S92 PolarHBondContact O-N 3.07Å
93Q80.9Confident77.6Confident62 Ų6247.1 Ų47.129%0.2927%0.266SS..SBendtrans-92.4149.5-172.4-76.7171.315.600113.4N89 Y90 E91 G97 K98 T101N89-Q93 WeakPolarHBondContact O-CG 3.26Å; N89-Q93 PolarHBondContact O-N 3.14Å; Y90-Q93 PolarHBondContact O-N 2.98Å; E91-Q93 VanDerWaalsContact C-N 3.27Å; E91-Q93 PolarHBondContact O-N 2.65Å; Q93-G97 PolarHBondContact OE1-O 2.87Å; Q93-K98 HydrophobicContact CB-CG 4.2Å; Q93-K98 WeakPolarHBondContact O-CE 3.49Å; Q93-T101 PolarHBondContact NE2-OG1 3.24Å; Q93-T101 PolarHBondContact OE1-OG1 3.25Å
94N81.3Confident78.6Confident138 Ų13847.4 Ų47.474%0.73827%0.269SS*.  trans-66.7166.6168.3-64.9-5.1000110.9L96 G97 K98N94-L96 VanDerWaalsContact C-N 3.26Å; N94-L96 PolarHBondContact O-N 3.05Å; N94-L96 VanDerWaalsContact O-N 3.11Å; N94-G97 WeakPolarHBondContact O-CA 3.45Å; N94-G97 PolarHBondContact O-N 3.46Å; N94-K98 PolarHBondContact O-N 2.8Å
95A76.3Confident79.8Confident26 Ų2644.3 Ų44.322%0.21525%0.249CC..Hα-helixtrans-49.6-42.2-179.400000114C58 L59 K98 L99C58-A95 HydrophobicContact CB-CB 4.22Å; L59-A95 HydrophobicContact CD2-CB 4.33Å; A95-K98 PolarHBondContact O-N 2.75Å; A95-L99 PolarHBondContact O-N 3.13Å
96L80.5Confident80.7Confident80 Ų8041.8 Ų41.842%0.41923%0.231SC..Hα-helixtrans-65.1-38.9175.4179.467.3000112.7L62 L67 N94 L99 K100L62-L96 HydrophobicContact CD1-CD1 3.57Å; L62-L96 HydrophobicContact CD2-CD1 4.12Å; L62-L96 HydrophobicContact CG-CD1 4.5Å; L67-L96 HydrophobicContact CD1-CD1 4.08Å; L67-L96 HydrophobicContact CD2-CD1 4.32Å; N94-L96 VanDerWaalsContact C-N 3.26Å; N94-L96 PolarHBondContact O-N 3.05Å; N94-L96 VanDerWaalsContact O-N 3.11Å; L96-L99 PolarHBondContact O-N 3.42Å; L96-K100 PolarHBondContact O-N 3.39Å
97G81.7Confident81.2Confident22 Ų2241.4 Ų41.423%0.22723%0.229CC..Hα-helixtrans-66.2-48176.200000111.1Q93 N94 L99 K100 T101Q93-G97 PolarHBondContact OE1-O 2.87Å; N94-G97 WeakPolarHBondContact O-CA 3.45Å; N94-G97 PolarHBondContact O-N 3.46Å; G97-L99 VanDerWaalsContact C-N 3.27Å; G97-L99 PolarHBondContact O-N 3Å; G97-K100 PolarHBondContact O-N 3.38Å; G97-T101 PolarHBondContact O-N 2.61Å; G97-T101 PolarHBondContact O-OG1 3.42Å
98K84.3Confident81.8Confident29 Ų2941.5 Ų41.513%0.12623%0.227CC..Hα-helixtrans-52.8-46.1174.3-70.8-171.5178.9-1660111.6Y90 Q93 N94 A95 T101 L102 E135Y90-K98 HydrophobicContact CD1-CD 4.44Å; Y90-K98 HydrophobicContact CD1-CG 4.46Å; Y90-K98 HydrophobicContact CD2-CB 4.11Å; Y90-K98 HydrophobicContact CD2-CG 4.07Å; Y90-K98 HydrophobicContact CE1-CD 3.89Å; Y90-K98 HydrophobicContact CE1-CG 4.2Å; Y90-K98 HydrophobicContact CE2-CB 3.51Å; Y90-K98 HydrophobicContact CE2-CD 4.25Å; Y90-K98 HydrophobicContact CE2-CG 3.78Å; Y90-K98 HydrophobicContact CG-CG 4.4Å; Y90-K98 WeakPolarHBondContact O-CE 3.4Å; Y90-K98 WeakPolarHBondContact O-CG 3.48Å; Q93-K98 HydrophobicContact CB-CG 4.2Å; Q93-K98 WeakPolarHBondContact O-CE 3.49Å; N94-K98 PolarHBondContact O-N 2.8Å; A95-K98 PolarHBondContact O-N 2.75Å; K98-T101 PolarHBondContact O-N 2.77Å; K98-L102 PolarHBondContact O-N 3.48Å; K98-E135 WeakPolarHBondContact CD-OE1 3.48Å; K98-E135 IonicContact NZ-OE1 2.68Å; K98-E135 PolarHBondContact NZ-OE1 2.9Å; K98-E135 IonicContact NZ-OE2 3.53Å; K98-E135 PolarHBondContact NZ-OE2 3.42Å
99L82.4Confident82.1Confident0 Ų036.1 Ų36.10%020%0.199CC..Hα-helixtrans-58.8-51.7174-173.383.3000111.5L59 L62 L67 A95 L96 G97 T101 L102 L103 I139 I143L59-L99 HydrophobicContact CD1-CD1 4.31Å; L59-L99 HydrophobicContact CD2-CB 3.86Å; L59-L99 HydrophobicContact CD2-CD1 4.16Å; L59-L99 HydrophobicContact CD2-CD2 4.09Å; L59-L99 HydrophobicContact CD2-CG 4.25Å; L62-L99 HydrophobicContact CD1-CD2 4.08Å; L67-L99 HydrophobicContact CD1-CD2 3.76Å; A95-L99 PolarHBondContact O-N 3.13Å; L96-L99 PolarHBondContact O-N 3.42Å; G97-L99 VanDerWaalsContact C-N 3.27Å; G97-L99 PolarHBondContact O-N 3Å; L99-T101 VanDerWaalsContact C-N 3.31Å; L99-T101 PolarHBondContact O-N 2.86Å; L99-L102 PolarHBondContact O-N 2.92Å; L99-L103 HydrophobicContact CD2-CD1 4.49Å; L99-L103 HydrophobicContact CG-CD1 4.35Å; L99-L103 HydrophobicContact CG-CG 4.47Å; L99-L103 WeakPolarHBondContact O-CG 3.31Å; L99-L103 PolarHBondContact O-N 3.25Å; L99-I139 HydrophobicContact CD1-CG2 3.96Å; L99-I143 HydrophobicContact CD1-CD1 3.89Å; L99-I143 HydrophobicContact CD1-CG1 3.53Å
100K82.7Confident82.3Confident55 Ų5533.9 Ų33.924%0.23919%0.189CC..Hα-helixtrans-58.5-40.6179-81.7-162.5168.9-154.80112.5T71 E74 L96 G97 L103 L104T71-K100 HydrophobicContact CG2-CG 4.23Å; E74-K100 IonicContact OE1-NZ 3.7Å; E74-K100 PolarHBondContact OE1-NZ 2.7Å; E74-K100 VanDerWaalsContact OE1-NZ 3.13Å; E74-K100 IonicContact OE2-NZ 3.3Å; L96-K100 PolarHBondContact O-N 3.39Å; G97-K100 PolarHBondContact O-N 3.38Å; K100-L103 WeakPolarHBondContact O-CB 3.3Å; K100-L103 PolarHBondContact O-N 3.43Å; K100-L104 PolarHBondContact O-N 3.03Å
101T83.2Confident82.1Confident17 Ų1738.8 Ų38.810%0.10422%0.215CC..Hα-helixtrans-64.1-42.9177.9-620000111.5L86 Y90 Q93 G97 K98 L99 L104 L105L86-T101 HydrophobicContact CD1-CG2 3.59Å; L86-T101 HydrophobicContact CG-CG2 4.49Å; Y90-T101 HydrophobicContact CD2-CG2 4.24Å; Q93-T101 PolarHBondContact NE2-OG1 3.24Å; Q93-T101 PolarHBondContact OE1-OG1 3.25Å; G97-T101 PolarHBondContact O-N 2.61Å; G97-T101 PolarHBondContact O-OG1 3.42Å; K98-T101 PolarHBondContact O-N 2.77Å; L99-T101 VanDerWaalsContact C-N 3.31Å; L99-T101 PolarHBondContact O-N 2.86Å; T101-L104 PolarHBondContact O-N 2.66Å; T101-L105 PolarHBondContact O-N 3.46Å
102L85.4Confident81.7Confident0 Ų036.3 Ų36.30%021%0.205CC..Hα-helixtrans-67.6-37.5174.4-75.7169.1000112.6Y90 K98 L99 L105 I106 L126 V136 I139 L140 I143Y90-L102 HydrophobicContact CE2-CD1 3.85Å; Y90-L102 HydrophobicContact CE2-CG 3.87Å; K98-L102 PolarHBondContact O-N 3.48Å; L99-L102 PolarHBondContact O-N 2.92Å; L102-L105 HydrophobicContact CD2-CD2 4.36Å; L102-L105 PolarHBondContact O-N 2.91Å; L102-I106 VanDerWaalsContact O-CG1 3.29Å; L102-I106 WeakPolarHBondContact O-CG1 3.17Å; L102-I106 PolarHBondContact O-N 3.37Å; L102-L126 HydrophobicContact CD2-CD2 3.5Å; L102-L126 VanDerWaalsContact CD2-CD2 3.5Å; L102-L126 HydrophobicContact CD2-CG 4.49Å; L102-L126 HydrophobicContact CG-CD2 4.17Å; L102-V136 HydrophobicContact CD2-CG1 3.92Å; L102-I139 HydrophobicContact CD1-CB 3.71Å; L102-I139 HydrophobicContact CD1-CD1 4.42Å; L102-I139 HydrophobicContact CD1-CG2 3.43Å; L102-I139 VanDerWaalsContact CD1-CG2 3.43Å; L102-L140 HydrophobicContact CD2-CD2 4.22Å; L102-L140 HydrophobicContact CD2-CG 4.36Å; L102-I143 HydrophobicContact CB-CD1 3.77Å
103L85.3Confident81.3Confident0 Ų037.1 Ų37.10%020%0.197CC..Hα-helixtrans-59.4-47.6173.2-72.6-177.9000111.4L67 W68 T71 L99 K100 L105 I106 I107 I143L67-L103 HydrophobicContact CB-CD1 4.12Å; W68-L103 HydrophobicContact CE3-CD2 3.56Å; W68-L103 HydrophobicContact CZ3-CD2 3.88Å; T71-L103 HydrophobicContact CG2-CB 4.11Å; T71-L103 HydrophobicContact CG2-CD1 4.08Å; L99-L103 HydrophobicContact CD2-CD1 4.49Å; L99-L103 HydrophobicContact CG-CD1 4.35Å; L99-L103 HydrophobicContact CG-CG 4.47Å; L99-L103 WeakPolarHBondContact O-CG 3.31Å; L99-L103 PolarHBondContact O-N 3.25Å; K100-L103 WeakPolarHBondContact O-CB 3.3Å; K100-L103 PolarHBondContact O-N 3.43Å; L103-L105 VanDerWaalsContact C-N 3.32Å; L103-L105 PolarHBondContact O-N 2.66Å; L103-I106 PolarHBondContact O-N 3.43Å; L103-I107 VanDerWaalsContact O-CG1 3.25Å; L103-I107 WeakPolarHBondContact O-CG1 3.14Å; L103-I107 PolarHBondContact O-N 3.46Å; L103-I143 HydrophobicContact CD2-CD1 4.07Å; L103-I143 HydrophobicContact CD2-CG1 4.12Å; L103-I143 HydrophobicContact CD2-CG2 3.59Å; L103-I143 HydrophobicContact CG-CD1 4.45Å
104L83.7Confident80.5Confident37 Ų3735.4 Ų35.419%0.19419%0.192CC..Hα-helixtrans-59.3-41.9175-113121.8000112.1Y75 P81 K100 T101 I107 H108Y75-L104 HydrophobicContact CD2-CD2 3.83Å; Y75-L104 HydrophobicContact CD2-CG 4.26Å; Y75-L104 HydrophobicContact CE2-CD2 4.16Å; P81-L104 HydrophobicContact CB-CD2 4.5Å; K100-L104 PolarHBondContact O-N 3.03Å; T101-L104 PolarHBondContact O-N 2.66Å; L104-I107 PolarHBondContact O-N 2.95Å; L104-H108 WeakPolarHBondContact O-CB 3.46Å; L104-H108 PolarHBondContact O-N 2.98Å
105L84.9Confident79.8Confident0 Ų032.9 Ų32.90%018%0.178CC..Hα-helixtrans-62.3-45.7176.3-179.963.1000111.7T101 L102 L103 I107 H108 L109 C123 L126 M127T101-L105 PolarHBondContact O-N 3.46Å; L102-L105 HydrophobicContact CD2-CD2 4.36Å; L102-L105 PolarHBondContact O-N 2.91Å; L103-L105 VanDerWaalsContact C-N 3.32Å; L103-L105 PolarHBondContact O-N 2.66Å; L105-I107 VanDerWaalsContact C-N 3.34Å; L105-I107 PolarHBondContact O-N 3.34Å; L105-H108 PolarHBondContact O-N 2.9Å; L105-L109 HydrophobicContact CD1-CD1 3.98Å; L105-L109 HydrophobicContact CD1-CG 4.03Å; L105-L109 HydrophobicContact CG-CD1 3.93Å; L105-L109 HydrophobicContact CG-CG 4.36Å; L105-L109 WeakPolarHBondContact O-CB 3.29Å; L105-L109 VanDerWaalsContact O-CG 3.26Å; L105-L109 WeakPolarHBondContact O-CG 3.03Å; L105-L109 PolarHBondContact O-N 2.69Å; L105-C123 WeakPolarHBondContact CD1-O 3.37Å; L105-L126 HydrophobicContact CD2-CD2 4.42Å; L105-M127 HydrophobicContact CD2-CG 4.12Å
106I84.6Confident79.1Confident0 Ų034.9 Ų34.90%019%0.189CC..Hα-helixtrans-61.6-44.5177.9-63.5166.4000110.4W68 L102 L103 L109 C110 L140 I143 F144 L152 F156W68-I106 HydrophobicContact CH2-CB 4.37Å; W68-I106 HydrophobicContact CH2-CG2 3.82Å; W68-I106 HydrophobicContact CZ3-CB 4.27Å; W68-I106 HydrophobicContact CZ3-CG2 4.04Å; L102-I106 VanDerWaalsContact O-CG1 3.29Å; L102-I106 WeakPolarHBondContact O-CG1 3.17Å; L102-I106 PolarHBondContact O-N 3.37Å; L103-I106 PolarHBondContact O-N 3.43Å; I106-L109 PolarHBondContact O-N 2.95Å; I106-C110 VanDerWaalsContact O-CB 3.3Å; I106-C110 WeakPolarHBondContact O-CB 3.04Å; I106-C110 PolarHBondContact O-N 3.49Å; I106-C110 PolarHBondContact O-SG 3.42Å; I106-L140 HydrophobicContact CD1-CD2 3.68Å; I106-L140 HydrophobicContact CG1-CD2 3.9Å; I106-I143 HydrophobicContact CD1-CB 4.42Å; I106-I143 HydrophobicContact CD1-CD1 4.18Å; I106-I143 HydrophobicContact CD1-CG2 3.68Å; I106-F144 HydrophobicContact CD1-CE1 4.27Å; I106-F144 HydrophobicContact CD1-CZ 4.14Å; I106-F144 HydrophobicContact CG1-CZ 4.42Å; I106-F144 HydrophobicContact CG2-CE1 4.33Å; I106-L152 HydrophobicContact CG2-CD1 4.26Å; I106-L152 HydrophobicContact CG2-CD2 4.07Å; I106-L152 HydrophobicContact CG2-CG 4.17Å; I106-F156 HydrophobicContact CB-CD2 4.47Å; I106-F156 HydrophobicContact CG1-CD2 4.09Å; I106-F156 HydrophobicContact CG1-CE2 4.11Å; I106-F156 HydrophobicContact CG2-CD2 4.25Å
107I83.9Confident78.3Confident2 Ų237.4 Ų37.41%0.0120%0.196CC..Hα-helixtrans-60.4-47.5178.3-67.3165.1000110.2W68 Y75 L103 L104 L105 C110 N111W68-I107 HydrophobicContact CH2-CD1 4.36Å; W68-I107 HydrophobicContact CH2-CG1 3.5Å; W68-I107 HydrophobicContact CZ2-CG1 3.86Å; W68-I107 HydrophobicContact CZ3-CD1 4.44Å; W68-I107 HydrophobicContact CZ3-CG1 3.94Å; Y75-I107 HydrophobicContact CD1-CG2 3.68Å; Y75-I107 HydrophobicContact CD2-CB 4.44Å; Y75-I107 HydrophobicContact CD2-CG2 3.84Å; Y75-I107 HydrophobicContact CE1-CG2 4.07Å; Y75-I107 HydrophobicContact CE2-CG2 4.18Å; Y75-I107 HydrophobicContact CG-CG2 3.56Å; L103-I107 VanDerWaalsContact O-CG1 3.25Å; L103-I107 WeakPolarHBondContact O-CG1 3.14Å; L103-I107 PolarHBondContact O-N 3.46Å; L104-I107 PolarHBondContact O-N 2.95Å; L105-I107 VanDerWaalsContact C-N 3.34Å; L105-I107 PolarHBondContact O-N 3.34Å; I107-C110 PolarHBondContact O-N 3.28Å; I107-N111 WeakPolarHBondContact O-CB 3.46Å; I107-N111 PolarHBondContact O-N 3.17Å; I107-N111 PolarHBondContact O-ND2 2.84Å
108H82.5Confident77.5Confident15 Ų1537 Ų377%0.06919%0.19CC..Hα-helixtrans-58.4-52.3176.9177.266000111.6Y75 F83 L104 L105 C110 N111 D112 H163Y75-H108 HydrophobicContact CE2-CB 4.1Å; Y75-H108 WeakPolarHBondContact OH-CA 3.23Å; Y75-H108 WeakPolarHBondContact OH-CB 3.31Å; Y75-H108 PolarHBondContact OH-ND1 3.21Å; F83-H108 HydrophobicContact CE2-CB 4.34Å; F83-H108 AromaticContact CE2-CD2 3.75Å; F83-H108 AromaticContact CE2-CG 3.79Å; F83-H108 AromaticContact CE2-NE2 3.99Å; F83-H108 HydrophobicContact CZ-CB 4.13Å; L104-H108 WeakPolarHBondContact O-CB 3.46Å; L104-H108 PolarHBondContact O-N 2.98Å; L105-H108 PolarHBondContact O-N 2.9Å; H108-C110 VanDerWaalsContact C-N 3.28Å; H108-C110 PolarHBondContact O-N 3.05Å; H108-N111 PolarHBondContact O-N 3.44Å; H108-D112 IonicContact CE1-OD2 3.77Å; H108-D112 IonicContact ND1-OD2 3.7Å; H108-D112 PolarHBondContact ND1-OD2 2.92Å; H108-D112 WeakPolarHBondContact O-CB 3.42Å; H108-D112 PolarHBondContact O-N 3.15Å; H108-H163 AromaticContact NE2-CE1 3.86Å
109L82.7Confident76.5Confident3 Ų339.2 Ų39.22%0.01621%0.21CC..Hα-helixtrans-62.7-34.1-178.8-67.9176.3000112.8L105 I106 F156 G159 H163L105-L109 HydrophobicContact CD1-CD1 3.98Å; L105-L109 HydrophobicContact CD1-CG 4.03Å; L105-L109 HydrophobicContact CG-CD1 3.93Å; L105-L109 HydrophobicContact CG-CG 4.36Å; L105-L109 WeakPolarHBondContact O-CB 3.29Å; L105-L109 VanDerWaalsContact O-CG 3.26Å; L105-L109 WeakPolarHBondContact O-CG 3.03Å; L105-L109 PolarHBondContact O-N 2.69Å; I106-L109 PolarHBondContact O-N 2.95Å; L109-F156 HydrophobicContact CD1-CD2 4.09Å; L109-F156 HydrophobicContact CD1-CE2 3.63Å; L109-F156 HydrophobicContact CD1-CZ 4.45Å; L109-G159 WeakPolarHBondContact O-CA 3.35Å; L109-H163 HydrophobicContact CD2-CB 3.59Å
110C82Confident75.6Confident26 Ų2646.4 Ų46.418%0.17625%0.247CC..Hα-helixtrans-82.3-30.3-177.8-680000114I106 I107 H108 K155I106-C110 VanDerWaalsContact O-CB 3.3Å; I106-C110 WeakPolarHBondContact O-CB 3.04Å; I106-C110 PolarHBondContact O-N 3.49Å; I106-C110 PolarHBondContact O-SG 3.42Å; I107-C110 PolarHBondContact O-N 3.28Å; H108-C110 VanDerWaalsContact C-N 3.28Å; H108-C110 PolarHBondContact O-N 3.05Å; C110-K155 HydrophobicContact CB-CB 4.42Å
111N78.1Confident74.7Confident104 Ų10449 Ų4956%0.55626%0.26SS*.Hα-helixtrans-109.3-32.6-170.2-65.8-28.3000113.7I107 H108I107-N111 WeakPolarHBondContact O-CB 3.46Å; I107-N111 PolarHBondContact O-N 3.17Å; I107-N111 PolarHBondContact O-ND2 2.84Å; H108-N111 PolarHBondContact O-N 3.44Å
112D70.7Confident74Confident57 Ų5749.5 Ų49.531%0.30526%0.264SS..SBendtrans-91144.1-173-73.32.5000112.5Y75 H108 H163Y75-D112 PolarHBondContact OH-OD2 3.3Å; H108-D112 IonicContact CE1-OD2 3.77Å; H108-D112 IonicContact ND1-OD2 3.7Å; H108-D112 PolarHBondContact ND1-OD2 2.92Å; H108-D112 WeakPolarHBondContact O-CB 3.42Å; H108-D112 PolarHBondContact O-N 3.15Å; D112-H163 PolarHBondContact O-NE2 3.5Å
113K69.3Low73.6Confident106 Ų10649.6 Ų49.646%0.46127%0.265SS..PPolyproline II helixtrans-73.5144.4173.1-64.1178.9176.5-168.90109.2D115 S222 D223 I224K113-D115 PolarHBondContact O-N 3.27Å; K113-D115 VanDerWaalsContact O-N 3.15Å; K113-S222 PolarHBondContact NZ-O 3.09Å; K113-D223 PolarHBondContact NZ-O 3.15Å; K113-I224 HydrophobicContact CD-CD1 4.2Å; K113-I224 HydrophobicContact CD-CG1 3.68Å; K113-I224 HydrophobicContact CG-CD1 4.01Å; K113-I224 HydrophobicContact CG-CG1 3.92Å
114P65.9Low73.2Confident27 Ų2749.6 Ų49.618%0.17527%0.265CS..PPolyproline II helixtrans-62.7117175.525.5-32.8000110.3H163 L228P114-H163 WeakPolarHBondContact CA-CE1 3.46Å; P114-L228 HydrophobicContact CB-CD1 3.82Å; P114-L228 HydrophobicContact CG-CD1 3.48Å; P114-L228 VanDerWaalsContact CG-CD1 3.48Å
115D65.8Low73.1Confident85 Ų8551.2 Ų51.246%0.45527%0.271SS..PPolyproline II helixtrans-93151.8177.2-119.1-1.3000109.6K113 K117 C118K113-D115 PolarHBondContact O-N 3.27Å; K113-D115 VanDerWaalsContact O-N 3.15Å; D115-K117 PolarHBondContact O-N 3.43Å; D115-C118 VanDerWaalsContact O-CB 3.31Å; D115-C118 WeakPolarHBondContact O-CB 3.33Å; D115-C118 PolarHBondContact O-N 3.13Å
116P61.7Low72.9Confident67 Ų6751.2 Ų51.244%0.43527%0.271SS..THydrogen-bonded Turntrans-59.8-23.6177.822.2-27.5000112.2C118 S119 L227P116-C118 PolarHBondContact O-N 3Å; P116-S119 PolarHBondContact O-N 3.28Å; P116-S119 VanDerWaalsContact O-N 3.17Å; P116-S119 PolarHBondContact O-OG 2.94Å; P116-L227 HydrophobicContact CB-CD2 3.56Å; P116-L227 HydrophobicContact CG-CD2 3.58Å
117K62.8Low72.7Confident133 Ų13351.2 Ų51.258%0.57827%0.271SS*.Hα-helixtrans-60.8-29.7174.2-65.5-178-179.61770112.9D115 S119 L120 E121D115-K117 PolarHBondContact O-N 3.43Å; K117-S119 PolarHBondContact O-N 2.66Å; K117-S119 VanDerWaalsContact O-N 3.13Å; K117-L120 PolarHBondContact O-N 2.92Å; K117-E121 PolarHBondContact O-N 3.37Å
118C65.2Low72.3Confident13 Ų1353.1 Ų53.19%0.08828%0.28CS..Hα-helixtrans-60.8-23.3176.8-61.50000112.8D115 P116 E121 S122 H163D115-C118 VanDerWaalsContact O-CB 3.31Å; D115-C118 WeakPolarHBondContact O-CB 3.33Å; D115-C118 PolarHBondContact O-N 3.13Å; P116-C118 PolarHBondContact O-N 3Å; C118-E121 CarbonylContact C-O 3.58Å; C118-E121 WeakPolarHBondContact CA-O 3.42Å; C118-S122 WeakPolarHBondContact O-CA 3.41Å; C118-H163 PolarHBondContact SG-ND1 3.19Å; C118-H163 VanDerWaalsContact SG-ND1 3.45Å
119S63.5Low72.2Confident77 Ų7753.6 Ų53.654%0.53829%0.287SS..Hα-helixtrans-79.7-27.1174.369.90000113.6P116 K117P116-S119 PolarHBondContact O-N 3.28Å; P116-S119 VanDerWaalsContact O-N 3.17Å; P116-S119 PolarHBondContact O-OG 2.94Å; K117-S119 PolarHBondContact O-N 2.66Å; K117-S119 VanDerWaalsContact O-N 3.13Å
120L62.8Low71.9Confident151 Ų15161.3 Ų61.379%0.79132%0.323SS*.Hα-helixtrans-89.6-42-177.9-73.9158.5000111.8K117K117-L120 PolarHBondContact O-N 2.92Å
121E64.6Low71.6Confident110 Ų11064.8 Ų64.851%0.51435%0.354SS..SBendtrans-124106172.1-68.5178.3176.500106.5K117 C118 C123K117-E121 PolarHBondContact O-N 3.37Å; C118-E121 CarbonylContact C-O 3.58Å; C118-E121 WeakPolarHBondContact CA-O 3.42Å; E121-C123 PolarHBondContact O-N 3.31Å
122S69.5Low71.7Confident26 Ų2660.5 Ų60.518%0.18233%0.33CS..  trans-67.2107.2-17654.80000110C118 C124 E125 E128C118-S122 WeakPolarHBondContact O-CA 3.41Å; S122-C124 PolarHBondContact O-N 2.98Å; S122-C124 VanDerWaalsContact O-N 3.09Å; S122-E125 VanDerWaalsContact O-CB 3.24Å; S122-E125 WeakPolarHBondContact O-CB 3.26Å; S122-E125 PolarHBondContact O-N 3.43Å; S122-E125 WeakPolarHBondContact OG-CA 3.03Å; S122-E125 WeakPolarHBondContact OG-CB 3.49Å; S122-E128 PolarHBondContact OG-OE2 3.02Å
123C76Confident72.1Confident3 Ų358.9 Ų58.92%0.0232%0.321CS..THydrogen-bonded Turntrans-57.6-23.5169.956.50000111.6F83 L105 E121F83-C123 HydrophobicContact CD2-CB 4.14Å; F83-C123 HydrophobicContact CE2-CB 4.49Å; L105-C123 WeakPolarHBondContact CD1-O 3.37Å; E121-C123 PolarHBondContact O-N 3.31Å
124C77.2Confident72.4Confident0 Ų055.1 Ų55.10%031%0.307CS..THydrogen-bonded Turntrans-88.97.8174.4-65.50000114.6S122 L126 M127 E128 Y160 C164S122-C124 PolarHBondContact O-N 2.98Å; S122-C124 VanDerWaalsContact O-N 3.09Å; C124-L126 PolarHBondContact O-N 3.45Å; C124-L126 VanDerWaalsContact O-N 3.1Å; C124-M127 WeakPolarHBondContact O-CA 3.36Å; C124-M127 WeakPolarHBondContact O-CB 3.48Å; C124-M127 PolarHBondContact O-N 3.14Å; C124-E128 PolarHBondContact O-N 2.65Å; C124-Y160 HydrophobicContact CB-CD2 4.35Å; C124-Y160 HydrophobicContact CB-CE2 4Å; C124-C164 HydrophobicContact CB-CB 4.28Å
125E80.5Confident73.2Confident70 Ų7055.6 Ų55.633%0.32731%0.307SS..Hα-helixtrans-48-43.5-176.3-174.4-176.6-164.100112.3L86 A87 S122 M127 E128 A129L86-E125 PolarHBondContact N-OE2 3.24Å; L86-E125 VanDerWaalsContact N-OE2 3.11Å; A87-E125 HydrophobicContact CB-CG 4.36Å; S122-E125 VanDerWaalsContact O-CB 3.24Å; S122-E125 WeakPolarHBondContact O-CB 3.26Å; S122-E125 PolarHBondContact O-N 3.43Å; S122-E125 WeakPolarHBondContact OG-CA 3.03Å; S122-E125 WeakPolarHBondContact OG-CB 3.49Å; E125-M127 VanDerWaalsContact C-N 3.26Å; E125-M127 PolarHBondContact O-N 2.8Å; E125-E128 PolarHBondContact O-N 2.48Å; E125-E128 VanDerWaalsContact O-N 3.08Å; E125-A129 PolarHBondContact O-N 3.43Å
126L81.4Confident74Confident0 Ų051.5 Ų51.50%029%0.285CS..Hα-helixtrans-62.2-31.4179.7-173.962.9000113.4L86 Y90 L102 L105 C124 L132 V136L86-L126 HydrophobicContact CD2-CB 3.93Å; L86-L126 HydrophobicContact CG-CB 4.29Å; Y90-L126 HydrophobicContact CD1-CD1 3.65Å; Y90-L126 HydrophobicContact CD2-CD1 4.11Å; Y90-L126 HydrophobicContact CD2-CD2 3.72Å; Y90-L126 HydrophobicContact CE1-CD1 4.16Å; Y90-L126 HydrophobicContact CE2-CD2 4.03Å; Y90-L126 HydrophobicContact CG-CD1 3.62Å; Y90-L126 HydrophobicContact CG-CD2 4.07Å; L102-L126 HydrophobicContact CD2-CD2 3.5Å; L102-L126 VanDerWaalsContact CD2-CD2 3.5Å; L102-L126 HydrophobicContact CD2-CG 4.49Å; L102-L126 HydrophobicContact CG-CD2 4.17Å; L105-L126 HydrophobicContact CD2-CD2 4.42Å; C124-L126 PolarHBondContact O-N 3.45Å; C124-L126 VanDerWaalsContact O-N 3.1Å; L126-L132 HydrophobicContact CD1-CD1 3.69Å; L126-V136 HydrophobicContact CD1-CG2 3.78Å; L126-V136 HydrophobicContact CD2-CG2 4.32Å; L126-V136 HydrophobicContact CG-CG2 3.79Å
127M79.8Confident75.1Confident0 Ų048.4 Ų48.40%027%0.265CS..Hα-helixtrans-84.4-23176.4-62.7-68.7-67.800112.2L105 C124 E125 V136 L140 F156 Y160 N168 I171L105-M127 HydrophobicContact CD2-CG 4.12Å; C124-M127 WeakPolarHBondContact O-CA 3.36Å; C124-M127 WeakPolarHBondContact O-CB 3.48Å; C124-M127 PolarHBondContact O-N 3.14Å; E125-M127 VanDerWaalsContact C-N 3.26Å; E125-M127 PolarHBondContact O-N 2.8Å; M127-V136 HydrophobicContact SD-CG1 3.63Å; M127-L140 HydrophobicContact CE-CD1 3.84Å; M127-L140 HydrophobicContact SD-CD1 3.57Å; M127-L140 VanDerWaalsContact SD-CD1 3.57Å; M127-F156 HydrophobicContact CE-CE1 4.32Å; M127-F156 HydrophobicContact CE-CZ 3.8Å; M127-F156 HydrophobicContact SD-CZ 4.41Å; M127-Y160 HydrophobicContact CB-CD2 4.32Å; M127-Y160 HydrophobicContact CB-CE2 3.54Å; M127-Y160 HydrophobicContact CE-CE2 4.48Å; M127-Y160 HydrophobicContact CG-CD2 4.31Å; M127-Y160 HydrophobicContact CG-CE2 4.01Å; M127-N168 WeakPolarHBondContact O-CB 3.43Å; M127-N168 PolarHBondContact O-ND2 3.47Å; M127-I171 HydrophobicContact CB-CD1 4.45Å; M127-I171 HydrophobicContact CE-CB 4.32Å; M127-I171 HydrophobicContact CE-CD1 4.12Å; M127-I171 HydrophobicContact CE-CG2 3.5Å; M127-I171 WeakPolarHBondContact O-CD1 3.41Å; M127-I171 HydrophobicContact SD-CD1 4.47Å
128E77Confident75.9Confident42 Ų4242.1 Ų42.120%0.19624%0.237CC..Hα-helixtrans-85.4-19.5177.7-66.9176.1165.700111.6S122 C124 E125 E130 N165 S166S122-E128 PolarHBondContact OG-OE2 3.02Å; C124-E128 PolarHBondContact O-N 2.65Å; E125-E128 PolarHBondContact O-N 2.48Å; E125-E128 VanDerWaalsContact O-N 3.08Å; E128-E130 PolarHBondContact O-N 3.26Å; E128-N165 PolarHBondContact OE1-N 2.94Å; E128-S166 PolarHBondContact OE1-N 2.95Å; E128-S166 PolarHBondContact OE1-OG 2.92Å
129A80.2Confident76.7Confident26 Ų2641.6 Ų41.622%0.21523%0.234CC..  trans-72.4103.5179.200000113E125 A131 L132 E133E125-A129 PolarHBondContact O-N 3.43Å; A129-A131 PolarHBondContact O-N 3.4Å; A129-L132 HydrophobicContact CB-CB 4.4Å; A129-L132 HydrophobicContact CB-CD1 4.35Å; A129-L132 PolarHBondContact O-N 2.91Å; A129-E133 PolarHBondContact O-N 2.84Å
130E75.3Confident77.7Confident165 Ų16537.9 Ų37.977%0.77121%0.208SC*.G310 helixtrans-56.7-34.7178.6-65-176.9171.800113.4E128 L132 E133E128-E130 PolarHBondContact O-N 3.26Å; E130-L132 VanDerWaalsContact C-N 3.31Å; E130-L132 PolarHBondContact O-N 3.42Å; E130-E133 VanDerWaalsContact O-CB 3.3Å; E130-E133 WeakPolarHBondContact O-CB 3.34Å; E130-E133 PolarHBondContact O-N 2.98Å
131A76.9Confident78.5Confident99 Ų9930.7 Ų30.782%0.81817%0.17SC*.G310 helixtrans-67.3-30.2-178.600000113.5A129A129-A131 PolarHBondContact O-N 3.4Å
132L78.8Confident79.3Confident13 Ų1326.7 Ų26.77%0.06815%0.151CC..G310 helixtrans-98.7-2-177.9-63.2172.7000112.4A87 Y90 E91 L126 A129 E130 T134 E135 V136A87-L132 HydrophobicContact CB-CD1 4.25Å; Y90-L132 HydrophobicContact CD1-CD1 4.18Å; E91-L132 HydrophobicContact CG-CD1 4.21Å; E91-L132 HydrophobicContact CG-CD2 3.99Å; L126-L132 HydrophobicContact CD1-CD1 3.69Å; A129-L132 HydrophobicContact CB-CB 4.4Å; A129-L132 HydrophobicContact CB-CD1 4.35Å; A129-L132 PolarHBondContact O-N 2.91Å; E130-L132 VanDerWaalsContact C-N 3.31Å; E130-L132 PolarHBondContact O-N 3.42Å; L132-T134 VanDerWaalsContact C-N 3.33Å; L132-T134 PolarHBondContact O-N 2.87Å; L132-E135 PolarHBondContact O-N 2.93Å; L132-V136 HydrophobicContact CB-CG2 4.01Å; L132-V136 WeakPolarHBondContact O-CB 3.36Å; L132-V136 WeakPolarHBondContact O-CG2 3.45Å; L132-V136 PolarHBondContact O-N 3.22Å
133E79.6Confident79.8Confident23 Ų2325.5 Ų25.511%0.10714%0.143CC..Hα-helixtrans-49.9-51-170.6-166.3-166.112600112.4A129 E130 F137 S170 I171 K174A129-E133 PolarHBondContact O-N 2.84Å; E130-E133 VanDerWaalsContact O-CB 3.3Å; E130-E133 WeakPolarHBondContact O-CB 3.34Å; E130-E133 PolarHBondContact O-N 2.98Å; E133-F137 WeakPolarHBondContact O-CB 3.43Å; E133-F137 PolarHBondContact O-N 3.3Å; E133-S170 WeakPolarHBondContact OE1-CB 3.44Å; E133-S170 PolarHBondContact OE1-OG 3.32Å; E133-S170 PolarHBondContact OE2-OG 3.22Å; E133-I171 HydrophobicContact CG-CD1 3.74Å; E133-I171 HydrophobicContact CG-CG1 3.27Å; E133-K174 WeakPolarHBondContact OE1-CE 3.44Å; E133-K174 IonicContact OE1-NZ 2.95Å; E133-K174 PolarHBondContact OE1-NZ 2.9Å
134T76.6Confident80.1Confident27 Ų2725.8 Ų25.817%0.16614%0.144CC..Hα-helixtrans-66.6-45.3-176.2-54.60000112.1L20 L48 L52 L132 I138L20-T134 HydrophobicContact CD2-CG2 3.34Å; L20-T134 HydrophobicContact CG-CG2 3.82Å; L48-T134 HydrophobicContact CD2-CG2 4Å; L52-T134 HydrophobicContact CD1-CG2 4.01Å; L132-T134 VanDerWaalsContact C-N 3.33Å; L132-T134 PolarHBondContact O-N 2.87Å; T134-I138 HydrophobicContact CG2-CD1 3.78Å; T134-I138 WeakPolarHBondContact O-CB 3.09Å; T134-I138 WeakPolarHBondContact O-CD1 3.49Å; T134-I138 WeakPolarHBondContact O-CG1 3.39Å; T134-I138 PolarHBondContact O-N 2.93Å; T134-I138 VanDerWaalsContact O-N 3.13Å
135E81Confident80.1Confident37 Ų3728.8 Ų28.817%0.17316%0.157CC..Hα-helixtrans-66.1-46.4-178.7-171.5-178.5-167.300110.6L52 K98 L132 I138 I139L52-E135 HydrophobicContact CD2-CB 4.2Å; L52-E135 HydrophobicContact CD2-CG 4.15Å; K98-E135 WeakPolarHBondContact CD-OE1 3.48Å; K98-E135 IonicContact NZ-OE1 2.68Å; K98-E135 PolarHBondContact NZ-OE1 2.9Å; K98-E135 IonicContact NZ-OE2 3.53Å; K98-E135 PolarHBondContact NZ-OE2 3.42Å; L132-E135 PolarHBondContact O-N 2.93Å; E135-I138 PolarHBondContact O-N 3.39Å; E135-I139 HydrophobicContact CG-CD1 3.87Å; E135-I139 WeakPolarHBondContact O-CG1 3.28Å; E135-I139 PolarHBondContact O-N 3.2Å
136V84.1Confident80Confident0 Ų026.8 Ų26.80%016%0.156CC..Hα-helixtrans-62-48.8179.1170.50000111.1Y90 L102 L126 M127 L132 I138 I139 L140Y90-V136 HydrophobicContact CE1-CG2 4.19Å; L102-V136 HydrophobicContact CD2-CG1 3.92Å; L126-V136 HydrophobicContact CD1-CG2 3.78Å; L126-V136 HydrophobicContact CD2-CG2 4.32Å; L126-V136 HydrophobicContact CG-CG2 3.79Å; M127-V136 HydrophobicContact SD-CG1 3.63Å; L132-V136 HydrophobicContact CB-CG2 4.01Å; L132-V136 WeakPolarHBondContact O-CB 3.36Å; L132-V136 WeakPolarHBondContact O-CG2 3.45Å; L132-V136 PolarHBondContact O-N 3.22Å; V136-I138 VanDerWaalsContact C-N 3.33Å; V136-I138 PolarHBondContact O-N 3.34Å; V136-I139 PolarHBondContact O-N 2.94Å; V136-L140 HydrophobicContact CG1-CD1 3.83Å; V136-L140 HydrophobicContact CG1-CG 4.31Å; V136-L140 WeakPolarHBondContact O-CB 3.48Å; V136-L140 VanDerWaalsContact O-CG 3.25Å; V136-L140 WeakPolarHBondContact O-CG 3.49Å; V136-L140 PolarHBondContact O-N 3.37Å
137F83.3Confident79.9Confident1 Ų127.7 Ų27.70%0.00416%0.16CC..Hα-helixtrans-56.2-45.7177.5155.4-108.2000112.1P24 E133 L140 C141 I171 K174 L175 N178P24-F137 HydrophobicContact CG-CE1 3.86Å; P24-F137 HydrophobicContact CG-CZ 3.77Å; E133-F137 WeakPolarHBondContact O-CB 3.43Å; E133-F137 PolarHBondContact O-N 3.3Å; F137-L140 PolarHBondContact O-N 3.4Å; F137-C141 WeakPolarHBondContact CE2-SG 3.43Å; F137-C141 PolarHBondContact O-N 3.19Å; F137-I171 HydrophobicContact CB-CG2 4.41Å; F137-K174 HydrophobicContact CD1-CB 4.19Å; F137-K174 HydrophobicContact CD1-CD 4.23Å; F137-K174 HydrophobicContact CD2-CB 3.59Å; F137-K174 HydrophobicContact CE1-CB 4.12Å; F137-K174 HydrophobicContact CE2-CB 3.52Å; F137-K174 VanDerWaalsContact CE2-O 3.27Å; F137-K174 WeakPolarHBondContact CE2-O 3.39Å; F137-K174 HydrophobicContact CG-CB 3.97Å; F137-K174 HydrophobicContact CG-CD 4.38Å; F137-K174 HydrophobicContact CZ-CB 3.82Å; F137-L175 HydrophobicContact CD2-CD2 3.69Å; F137-L175 HydrophobicContact CD2-CG 3.85Å; F137-L175 HydrophobicContact CE2-CD2 3.99Å; F137-L175 HydrophobicContact CE2-CG 4.26Å; F137-N178 HydrophobicContact CZ-CB 4.39Å; F137-N178 WeakPolarHBondContact CZ-ND2 3.38Å
138I79.7Confident79.4Confident1 Ų131.8 Ų31.81%0.00519%0.189CC..Hα-helixtrans-67.1-44.6-177.8-70.4170.8000111.1S23 P24 L52 L56 T134 E135 V136 L140 C141 F142S23-I138 WeakPolarHBondContact OG-CD1 3.29Å; P24-I138 HydrophobicContact CG-CB 4.43Å; P24-I138 HydrophobicContact CG-CG1 3.98Å; P24-I138 HydrophobicContact CG-CG2 4.45Å; L52-I138 HydrophobicContact CD1-CD1 3.39Å; L52-I138 HydrophobicContact CD2-CD1 3.79Å; L52-I138 HydrophobicContact CG-CD1 4.09Å; L56-I138 HydrophobicContact CD1-CG2 3.83Å; L56-I138 HydrophobicContact CD2-CG2 3.9Å; L56-I138 HydrophobicContact CG-CG2 4.08Å; T134-I138 HydrophobicContact CG2-CD1 3.78Å; T134-I138 WeakPolarHBondContact O-CB 3.09Å; T134-I138 WeakPolarHBondContact O-CD1 3.49Å; T134-I138 WeakPolarHBondContact O-CG1 3.39Å; T134-I138 PolarHBondContact O-N 2.93Å; T134-I138 VanDerWaalsContact O-N 3.13Å; E135-I138 PolarHBondContact O-N 3.39Å; V136-I138 VanDerWaalsContact C-N 3.33Å; V136-I138 PolarHBondContact O-N 3.34Å; I138-L140 VanDerWaalsContact C-N 3.33Å; I138-C141 WeakPolarHBondContact O-CB 3.32Å; I138-C141 PolarHBondContact O-N 3.19Å; I138-F142 PolarHBondContact O-N 3.45Å
139I82.3Confident79.3Confident2 Ų233.4 Ų33.41%0.0120%0.199CC..Hα-helixtrans-66.9-37.6178.2-64.7165.3000110.6L59 Y90 L99 L102 E135 V136 F142 I143L59-I139 HydrophobicContact CD1-CG1 4.22Å; L59-I139 HydrophobicContact CD1-CG2 4.34Å; Y90-I139 VanDerWaalsContact OH-CD1 3.23Å; Y90-I139 WeakPolarHBondContact OH-CD1 3.29Å; L99-I139 HydrophobicContact CD1-CG2 3.96Å; L102-I139 HydrophobicContact CD1-CB 3.71Å; L102-I139 HydrophobicContact CD1-CD1 4.42Å; L102-I139 HydrophobicContact CD1-CG2 3.43Å; L102-I139 VanDerWaalsContact CD1-CG2 3.43Å; E135-I139 HydrophobicContact CG-CD1 3.87Å; E135-I139 WeakPolarHBondContact O-CG1 3.28Å; E135-I139 PolarHBondContact O-N 3.2Å; V136-I139 PolarHBondContact O-N 2.94Å; I139-F142 WeakPolarHBondContact O-CB 3.26Å; I139-F142 PolarHBondContact O-N 2.85Å; I139-I143 HydrophobicContact CG2-CD1 3.92Å; I139-I143 HydrophobicContact CG2-CG1 4.34Å; I139-I143 VanDerWaalsContact O-CG1 3.28Å; I139-I143 WeakPolarHBondContact O-CG1 3.47Å; I139-I143 PolarHBondContact O-N 3.4Å
140L84.5Confident78.7Confident0 Ų038.5 Ų38.50%021%0.214CC..Hα-helixtrans-60.6-46.4172.3-76.2174.1000112L102 I106 M127 V136 F137 I138 F142 I143 F144 F156 L175L102-L140 HydrophobicContact CD2-CD2 4.22Å; L102-L140 HydrophobicContact CD2-CG 4.36Å; I106-L140 HydrophobicContact CD1-CD2 3.68Å; I106-L140 HydrophobicContact CG1-CD2 3.9Å; M127-L140 HydrophobicContact CE-CD1 3.84Å; M127-L140 HydrophobicContact SD-CD1 3.57Å; M127-L140 VanDerWaalsContact SD-CD1 3.57Å; V136-L140 HydrophobicContact CG1-CD1 3.83Å; V136-L140 HydrophobicContact CG1-CG 4.31Å; V136-L140 WeakPolarHBondContact O-CB 3.48Å; V136-L140 VanDerWaalsContact O-CG 3.25Å; V136-L140 WeakPolarHBondContact O-CG 3.49Å; V136-L140 PolarHBondContact O-N 3.37Å; F137-L140 PolarHBondContact O-N 3.4Å; I138-L140 VanDerWaalsContact C-N 3.33Å; L140-F142 VanDerWaalsContact C-N 3.27Å; L140-F142 PolarHBondContact O-N 2.94Å; L140-I143 PolarHBondContact O-N 3.01Å; L140-F144 HydrophobicContact CB-CD2 4.39Å; L140-F144 HydrophobicContact CB-CE2 4.16Å; L140-F144 HydrophobicContact CD2-CE2 4.27Å; L140-F144 WeakPolarHBondContact O-CD2 3.2Å; L140-F144 PolarHBondContact O-N 3.25Å; L140-F156 HydrophobicContact CD1-CZ 4.15Å; L140-L175 HydrophobicContact CB-CD2 3.96Å; L140-L175 HydrophobicContact CD1-CD1 4.39Å
141C80.3Confident78.7Confident0 Ų036.4 Ų36.40%020%0.204CC..Hα-helixtrans-57-42.7173.2-84.80000111.8P24 F137 I138 H145P24-C141 HydrophobicContact CB-CB 3.58Å; P24-C141 HydrophobicContact CG-CB 3.85Å; F137-C141 WeakPolarHBondContact CE2-SG 3.43Å; F137-C141 PolarHBondContact O-N 3.19Å; I138-C141 WeakPolarHBondContact O-CB 3.32Å; I138-C141 PolarHBondContact O-N 3.19Å; C141-H145 PolarHBondContact O-N 2.79Å; C141-H145 VanDerWaalsContact O-N 3.1Å; C141-H145 PolarHBondContact O-ND1 3.35Å
142F80.3Confident78.8Confident26 Ų2632.3 Ų32.311%0.11417%0.168CC..Hα-helixtrans-63.8-42.8177.7-170.1-102.7000112.1Y27 L56 L59 I64 I138 I139 L140 G146Y27-F142 HydrophobicContact CE1-CE2 4.29Å; L56-F142 HydrophobicContact CD2-CB 3.94Å; L56-F142 HydrophobicContact CD2-CD2 3.73Å; L56-F142 HydrophobicContact CD2-CE2 4.43Å; L56-F142 HydrophobicContact CD2-CG 3.85Å; L59-F142 HydrophobicContact CB-CD1 4.08Å; L59-F142 HydrophobicContact CB-CE1 3.56Å; L59-F142 HydrophobicContact CB-CZ 4.19Å; L59-F142 HydrophobicContact CD1-CD1 4.3Å; I64-F142 HydrophobicContact CD1-CD1 3.73Å; I64-F142 HydrophobicContact CD1-CE1 3.45Å; I64-F142 VanDerWaalsContact CD1-CE1 3.45Å; I64-F142 HydrophobicContact CD1-CZ 4.18Å; I64-F142 HydrophobicContact CG1-CE1 4.34Å; I138-F142 PolarHBondContact O-N 3.45Å; I139-F142 WeakPolarHBondContact O-CB 3.26Å; I139-F142 PolarHBondContact O-N 2.85Å; L140-F142 VanDerWaalsContact C-N 3.27Å; L140-F142 PolarHBondContact O-N 2.94Å; F142-G146 PolarHBondContact O-N 2.94Å
143I82Confident78.9Confident0 Ų031.9 Ų31.90%017%0.166CC..Hα-helixtrans-60.9-53.4174.7-69.8162.8000110.8L99 L102 L103 I106 I139 L140 H145 G146 L147L99-I143 HydrophobicContact CD1-CD1 3.89Å; L99-I143 HydrophobicContact CD1-CG1 3.53Å; L102-I143 HydrophobicContact CB-CD1 3.77Å; L103-I143 HydrophobicContact CD2-CD1 4.07Å; L103-I143 HydrophobicContact CD2-CG1 4.12Å; L103-I143 HydrophobicContact CD2-CG2 3.59Å; L103-I143 HydrophobicContact CG-CD1 4.45Å; I106-I143 HydrophobicContact CD1-CB 4.42Å; I106-I143 HydrophobicContact CD1-CD1 4.18Å; I106-I143 HydrophobicContact CD1-CG2 3.68Å; I139-I143 HydrophobicContact CG2-CD1 3.92Å; I139-I143 HydrophobicContact CG2-CG1 4.34Å; I139-I143 VanDerWaalsContact O-CG1 3.28Å; I139-I143 WeakPolarHBondContact O-CG1 3.47Å; I139-I143 PolarHBondContact O-N 3.4Å; L140-I143 PolarHBondContact O-N 3.01Å; I143-H145 VanDerWaalsContact C-N 3.32Å; I143-H145 PolarHBondContact O-N 3.4Å; I143-G146 PolarHBondContact O-N 3.15Å; I143-G146 VanDerWaalsContact O-N 3.13Å; I143-L147 HydrophobicContact CG2-CD1 3.66Å; I143-L147 HydrophobicContact CG2-CG 4.24Å; I143-L147 WeakPolarHBondContact O-CG 3.45Å; I143-L147 PolarHBondContact O-N 2.95Å
144F82.3Confident78.9Confident9 Ų930.8 Ų30.84%0.03916%0.161CC..Hα-helixtrans-61.3-40.9-175.2-73-55000112.2I106 L140 S148 L152 V153 F156 L175 L179I106-F144 HydrophobicContact CD1-CE1 4.27Å; I106-F144 HydrophobicContact CD1-CZ 4.14Å; I106-F144 HydrophobicContact CG1-CZ 4.42Å; I106-F144 HydrophobicContact CG2-CE1 4.33Å; L140-F144 HydrophobicContact CB-CD2 4.39Å; L140-F144 HydrophobicContact CB-CE2 4.16Å; L140-F144 HydrophobicContact CD2-CE2 4.27Å; L140-F144 WeakPolarHBondContact O-CD2 3.2Å; L140-F144 PolarHBondContact O-N 3.25Å; F144-S148 PolarHBondContact O-N 2.75Å; F144-L152 HydrophobicContact CD1-CD2 4.23Å; F144-L152 HydrophobicContact CE1-CD2 4.1Å; F144-L152 HydrophobicContact CE1-CG 4.13Å; F144-V153 HydrophobicContact CB-CG2 4.13Å; F144-V153 HydrophobicContact CD1-CG2 3.71Å; F144-V153 HydrophobicContact CE1-CG2 4.26Å; F144-V153 HydrophobicContact CG-CG2 3.89Å; F144-F156 HydrophobicContact CE1-CB 4.22Å; F144-F156 HydrophobicContact CE1-CG 4.42Å; F144-F156 HydrophobicContact CE2-CD1 4.19Å; F144-F156 HydrophobicContact CE2-CE1 4.4Å; F144-F156 HydrophobicContact CE2-CG 4.45Å; F144-F156 HydrophobicContact CZ-CB 3.87Å; F144-F156 AromaticContact CZ-CD1 3.77Å; F144-F156 HydrophobicContact CZ-CD1 3.77Å; F144-F156 HydrophobicContact CZ-CD2 4.02Å; F144-F156 HydrophobicContact CZ-CE1 4.3Å; F144-F156 HydrophobicContact CZ-CE2 4.5Å; F144-F156 AromaticContact CZ-CG 3.61Å; F144-F156 HydrophobicContact CZ-CG 3.61Å; F144-L175 HydrophobicContact CD2-CD2 4.5Å; F144-L179 HydrophobicContact CB-CD1 4.33Å; F144-L179 HydrophobicContact CB-CD2 4.41Å; F144-L179 HydrophobicContact CD2-CD1 4.25Å
145H77.3Confident79.2Confident63 Ų6334.7 Ų34.729%0.29218%0.176SC..Hα-helixtrans-67.7-41.7174.1-74.890.8000112.3Q28 C141 I143 L147 S148 N178 L179Q28-H145 PolarHBondContact NE2-CD2 3.11Å; Q28-H145 PolarHBondContact NE2-ND1 3.04Å; Q28-H145 VanDerWaalsContact NE2-ND1 3.19Å; Q28-H145 PolarHBondContact OE1-CD2 2.91Å; Q28-H145 VanDerWaalsContact OE1-CG 3.27Å; Q28-H145 PolarHBondContact OE1-NE2 2.95Å; C141-H145 PolarHBondContact O-N 2.79Å; C141-H145 VanDerWaalsContact O-N 3.1Å; C141-H145 PolarHBondContact O-ND1 3.35Å; I143-H145 VanDerWaalsContact C-N 3.32Å; I143-H145 PolarHBondContact O-N 3.4Å; H145-L147 VanDerWaalsContact C-N 3.31Å; H145-L147 PolarHBondContact O-N 2.99Å; H145-S148 PolarHBondContact O-N 2.83Å; H145-N178 PolarHBondContact CE1-O 2.91Å; H145-L179 WeakPolarHBondContact CE1-CD2 3.46Å
146G76.7Confident79.4Confident28 Ų2833 Ų3329%0.28917%0.168SC..Hα-helixtrans-68.2-25.3-179.300000114.7F142 I143F142-G146 PolarHBondContact O-N 2.94Å; I143-G146 PolarHBondContact O-N 3.15Å; I143-G146 VanDerWaalsContact O-N 3.13Å
147L79.9Confident79.4Confident19 Ų1933 Ų3310%0.09917%0.168CC..Hα-helixtrans-81.2-21.4175.3-66.5173.2000113.3I64 W68 I143 H145 N149 L152I64-L147 HydrophobicContact CG2-CD2 3.68Å; I64-L147 HydrophobicContact CG2-CG 3.96Å; W68-L147 HydrophobicContact CB-CD2 3.48Å; W68-L147 VanDerWaalsContact CB-CD2 3.48Å; W68-L147 HydrophobicContact CD2-CD1 3.87Å; W68-L147 HydrophobicContact CD2-CD2 3.83Å; W68-L147 HydrophobicContact CE3-CD1 3.37Å; W68-L147 HydrophobicContact CE3-CD2 3.94Å; W68-L147 HydrophobicContact CE3-CG 4.3Å; W68-L147 HydrophobicContact CG-CD2 3.61Å; W68-L147 HydrophobicContact CH2-CD1 4.44Å; W68-L147 HydrophobicContact CZ3-CD1 3.72Å; I143-L147 HydrophobicContact CG2-CD1 3.66Å; I143-L147 HydrophobicContact CG2-CG 4.24Å; I143-L147 WeakPolarHBondContact O-CG 3.45Å; I143-L147 PolarHBondContact O-N 2.95Å; H145-L147 VanDerWaalsContact C-N 3.31Å; H145-L147 PolarHBondContact O-N 2.99Å; L147-N149 HydrophobicContact CB-CB 4.5Å; L147-N149 PolarHBondContact O-N 3.17Å; L147-L152 HydrophobicContact CD1-CD2 3.46Å; L147-L152 VanDerWaalsContact CD1-CD2 3.46Å
148S70.3Confident79.4Confident86 Ų8633.7 Ų33.760%0.60117%0.172SC*.  trans52.419.6-175.563.60000115F144 H145F144-S148 PolarHBondContact O-N 2.75Å; H145-S148 PolarHBondContact O-N 2.83Å
149N74Confident79.5Confident76 Ų7634 Ų3441%0.40618%0.176SC..  trans-10386.9-177.7-171-9.5000110.7L147 H151 L152L147-N149 HydrophobicContact CB-CB 4.5Å; L147-N149 PolarHBondContact O-N 3.17Å; N149-H151 PolarHBondContact O-N 3.01Å; N149-H151 VanDerWaalsContact O-N 3.1Å; N149-H151 PolarHBondContact OD1-N 2.99Å; N149-L152 HydrophobicContact CB-CB 4.32Å; N149-L152 VanDerWaalsContact O-CB 3.26Å; N149-L152 WeakPolarHBondContact O-CB 3.37Å; N149-L152 PolarHBondContact O-N 3.25Å
150Y67.7Low79.5Confident134 Ų13433.9 Ų33.953%0.52518%0.176SC..Hα-helixtrans-56.4-27.2-177.3-56.1-67.9000114L152 D182Y150-L152 VanDerWaalsContact C-N 3.27Å; Y150-L152 PolarHBondContact O-N 3.29Å; Y150-D182 WeakPolarHBondContact CD1-OD1 3.35Å
151H74.5Confident79.4Confident120 Ų12033.9 Ų33.956%0.55618%0.176SC*.Hα-helixtrans-72-21177.4-66.9-59.6000113.6N149 K155N149-H151 PolarHBondContact O-N 3.01Å; N149-H151 VanDerWaalsContact O-N 3.1Å; N149-H151 PolarHBondContact OD1-N 2.99Å; H151-K155 WeakPolarHBondContact O-CG 3.39Å; H151-K155 PolarHBondContact O-N 3.1Å
152L80.5Confident79.3Confident13 Ų1334.7 Ų34.77%0.06818%0.182CC..Hα-helixtrans-71.1-36.6-177.1-169.868.7000111.7W68 I106 F144 L147 N149 Y150 K155 F156W68-L152 HydrophobicContact CH2-CD1 4Å; W68-L152 HydrophobicContact CH2-CD2 3.7Å; W68-L152 HydrophobicContact CH2-CG 4.48Å; W68-L152 HydrophobicContact CZ2-CD1 4.08Å; W68-L152 HydrophobicContact CZ2-CD2 4.1Å; W68-L152 HydrophobicContact CZ3-CD2 4.04Å; I106-L152 HydrophobicContact CG2-CD1 4.26Å; I106-L152 HydrophobicContact CG2-CD2 4.07Å; I106-L152 HydrophobicContact CG2-CG 4.17Å; F144-L152 HydrophobicContact CD1-CD2 4.23Å; F144-L152 HydrophobicContact CE1-CD2 4.1Å; F144-L152 HydrophobicContact CE1-CG 4.13Å; L147-L152 HydrophobicContact CD1-CD2 3.46Å; L147-L152 VanDerWaalsContact CD1-CD2 3.46Å; N149-L152 HydrophobicContact CB-CB 4.32Å; N149-L152 VanDerWaalsContact O-CB 3.26Å; N149-L152 WeakPolarHBondContact O-CB 3.37Å; N149-L152 PolarHBondContact O-N 3.25Å; Y150-L152 VanDerWaalsContact C-N 3.27Å; Y150-L152 PolarHBondContact O-N 3.29Å; L152-K155 PolarHBondContact O-N 3.08Å; L152-F156 WeakPolarHBondContact O-CB 3.44Å; L152-F156 PolarHBondContact O-N 2.95Å
153V81Confident79.2Confident4 Ų433.7 Ų33.72%0.02418%0.178CC..Hα-helixtrans-62.4-48.3-179-1760000110.8F144 K155 F156 F157 L179 V186F144-V153 HydrophobicContact CB-CG2 4.13Å; F144-V153 HydrophobicContact CD1-CG2 3.71Å; F144-V153 HydrophobicContact CE1-CG2 4.26Å; F144-V153 HydrophobicContact CG-CG2 3.89Å; V153-K155 PolarHBondContact O-N 3.37Å; V153-F156 WeakPolarHBondContact O-CB 3.3Å; V153-F156 PolarHBondContact O-N 2.93Å; V153-F157 HydrophobicContact CG1-CD2 4.06Å; V153-F157 HydrophobicContact CG1-CE2 3.94Å; V153-F157 WeakPolarHBondContact O-CD2 3.47Å; V153-F157 PolarHBondContact O-N 3.23Å; V153-L179 HydrophobicContact CG1-CD1 3.95Å; V153-L179 HydrophobicContact CG2-CD1 4.13Å; V153-V186 HydrophobicContact CB-CG2 4.48Å; V153-V186 HydrophobicContact CG1-CG2 3.78Å
154G79.4Confident78.9Confident1 Ų133.8 Ų33.81%0.0118%0.179CC..Hα-helixtrans-60.2-43.6177.100000112.6F156 F157 C158G154-F156 VanDerWaalsContact C-N 3.34Å; G154-F156 PolarHBondContact O-N 3.33Å; G154-F157 PolarHBondContact O-N 3.38Å; G154-C158 PolarHBondContact O-N 3.24Å; G154-C158 VanDerWaalsContact O-N 3.11Å; G154-C158 PolarHBondContact O-SG 2.98Å; G154-C158 VanDerWaalsContact O-SG 3.4Å
155K81.2Confident78.4Confident109 Ų10937.6 Ų37.647%0.47420%0.199SC..Hα-helixtrans-63-39.7175-73.4-176.3178-175.20112.5C110 H151 L152 V153 C158 G159C110-K155 HydrophobicContact CB-CB 4.42Å; H151-K155 WeakPolarHBondContact O-CG 3.39Å; H151-K155 PolarHBondContact O-N 3.1Å; L152-K155 PolarHBondContact O-N 3.08Å; V153-K155 PolarHBondContact O-N 3.37Å; K155-C158 PolarHBondContact O-N 3.35Å; K155-G159 PolarHBondContact O-N 3.36Å
156F85.5Confident78.3Confident0 Ų037.8 Ų37.80%021%0.207CC..Hα-helixtrans-62.7-45.8176.8171.6-96.8000111.6I106 L109 M127 L140 F144 L152 V153 G154 C158 G159 Y160 L175I106-F156 HydrophobicContact CB-CD2 4.47Å; I106-F156 HydrophobicContact CG1-CD2 4.09Å; I106-F156 HydrophobicContact CG1-CE2 4.11Å; I106-F156 HydrophobicContact CG2-CD2 4.25Å; L109-F156 HydrophobicContact CD1-CD2 4.09Å; L109-F156 HydrophobicContact CD1-CE2 3.63Å; L109-F156 HydrophobicContact CD1-CZ 4.45Å; M127-F156 HydrophobicContact CE-CE1 4.32Å; M127-F156 HydrophobicContact CE-CZ 3.8Å; M127-F156 HydrophobicContact SD-CZ 4.41Å; L140-F156 HydrophobicContact CD1-CZ 4.15Å; F144-F156 HydrophobicContact CE1-CB 4.22Å; F144-F156 HydrophobicContact CE1-CG 4.42Å; F144-F156 HydrophobicContact CE2-CD1 4.19Å; F144-F156 HydrophobicContact CE2-CE1 4.4Å; F144-F156 HydrophobicContact CE2-CG 4.45Å; F144-F156 HydrophobicContact CZ-CB 3.87Å; F144-F156 AromaticContact CZ-CD1 3.77Å; F144-F156 HydrophobicContact CZ-CD1 3.77Å; F144-F156 HydrophobicContact CZ-CD2 4.02Å; F144-F156 HydrophobicContact CZ-CE1 4.3Å; F144-F156 HydrophobicContact CZ-CE2 4.5Å; F144-F156 AromaticContact CZ-CG 3.61Å; F144-F156 HydrophobicContact CZ-CG 3.61Å; L152-F156 WeakPolarHBondContact O-CB 3.44Å; L152-F156 PolarHBondContact O-N 2.95Å; V153-F156 WeakPolarHBondContact O-CB 3.3Å; V153-F156 PolarHBondContact O-N 2.93Å; G154-F156 VanDerWaalsContact C-N 3.34Å; G154-F156 PolarHBondContact O-N 3.33Å; F156-C158 VanDerWaalsContact C-N 3.33Å; F156-C158 PolarHBondContact O-N 2.83Å; F156-G159 PolarHBondContact O-N 3.03Å; F156-Y160 VanDerWaalsContact O-CB 3.3Å; F156-Y160 WeakPolarHBondContact O-CB 3.27Å; F156-Y160 PolarHBondContact O-N 3.44Å; F156-L175 HydrophobicContact CE1-CD1 3.89Å
157F84.2Confident78.2Confident1 Ų137.4 Ų37.40%0.00420%0.2CC..Hα-helixtrans-58.3-46.8175.4-90.6-113.7000111.4V153 G154 L161 L172 L175 A176 V186 L190V153-F157 HydrophobicContact CG1-CD2 4.06Å; V153-F157 HydrophobicContact CG1-CE2 3.94Å; V153-F157 WeakPolarHBondContact O-CD2 3.47Å; V153-F157 PolarHBondContact O-N 3.23Å; G154-F157 PolarHBondContact O-N 3.38Å; F157-L161 WeakPolarHBondContact O-CB 3.25Å; F157-L161 VanDerWaalsContact O-CG 3.29Å; F157-L161 WeakPolarHBondContact O-CG 3.48Å; F157-L161 PolarHBondContact O-N 3.35Å; F157-L161 VanDerWaalsContact O-N 3.08Å; F157-L172 HydrophobicContact CD1-CD2 3.94Å; F157-L172 HydrophobicContact CE1-CB 3.92Å; F157-L172 HydrophobicContact CE1-CD2 3.75Å; F157-L172 HydrophobicContact CE1-CG 4.29Å; F157-L172 HydrophobicContact CE2-CD2 4.35Å; F157-L172 HydrophobicContact CG-CD2 4.34Å; F157-L172 HydrophobicContact CZ-CB 4.3Å; F157-L172 HydrophobicContact CZ-CD2 3.97Å; F157-L175 HydrophobicContact CE2-CB 4.35Å; F157-L175 HydrophobicContact CE2-CD1 4.48Å; F157-L175 HydrophobicContact CZ-CB 4.22Å; F157-A176 HydrophobicContact CZ-CB 4.49Å; F157-V186 HydrophobicContact CB-CG1 4.03Å; F157-V186 HydrophobicContact CD1-CG1 3.51Å; F157-V186 HydrophobicContact CD2-CG1 4.12Å; F157-V186 HydrophobicContact CD2-CG2 4.34Å; F157-V186 HydrophobicContact CE1-CG1 3.91Å; F157-V186 HydrophobicContact CE2-CG1 4.47Å; F157-V186 HydrophobicContact CE2-CG2 4.49Å; F157-V186 HydrophobicContact CG-CG1 3.62Å; F157-V186 HydrophobicContact CZ-CG1 4.38Å; F157-L190 HydrophobicContact CB-CD2 4.38Å
158C82.9Confident78.2Confident15 Ų1537.7 Ų37.710%0.10120%0.201CC..Hα-helixtrans-60.8-45.7176.4-72.60000112.4G154 K155 F156 A162 E189 L193G154-C158 PolarHBondContact O-N 3.24Å; G154-C158 VanDerWaalsContact O-N 3.11Å; G154-C158 PolarHBondContact O-SG 2.98Å; G154-C158 VanDerWaalsContact O-SG 3.4Å; K155-C158 PolarHBondContact O-N 3.35Å; F156-C158 VanDerWaalsContact C-N 3.33Å; F156-C158 PolarHBondContact O-N 2.83Å; C158-A162 WeakPolarHBondContact O-CB 3.18Å; C158-A162 PolarHBondContact O-N 3.25Å; C158-A162 VanDerWaalsContact O-N 3.1Å; C158-E189 VanDerWaalsContact SG-C 3.51Å; C158-E189 PolarHBondContact SG-O 3.33Å; C158-L193 HydrophobicContact CB-CD2 3.89Å
159G82Confident78.6Confident8 Ų836.3 Ų36.38%0.08219%0.185CC..Hα-helixtrans-63.5-50.3178.500000112.7L109 K155 F156 L161 A162 H163L109-G159 WeakPolarHBondContact O-CA 3.35Å; K155-G159 PolarHBondContact O-N 3.36Å; F156-G159 PolarHBondContact O-N 3.03Å; G159-L161 VanDerWaalsContact C-N 3.31Å; G159-L161 PolarHBondContact O-N 2.88Å; G159-A162 WeakPolarHBondContact O-CB 3.43Å; G159-A162 PolarHBondContact O-N 3.12Å; G159-H163 PolarHBondContact O-CD2 3.35Å; G159-H163 VanDerWaalsContact O-CD2 3.25Å; G159-H163 PolarHBondContact O-N 2.94Å
160Y83.9Confident78.8Confident0 Ų034.6 Ų34.60%018%0.179CC..Hα-helixtrans-56.3-45.4177176-112.2000111.7C124 M127 F156 A162 H163 C164 V167 N168 L172C124-Y160 HydrophobicContact CB-CD2 4.35Å; C124-Y160 HydrophobicContact CB-CE2 4Å; M127-Y160 HydrophobicContact CB-CD2 4.32Å; M127-Y160 HydrophobicContact CB-CE2 3.54Å; M127-Y160 HydrophobicContact CE-CE2 4.48Å; M127-Y160 HydrophobicContact CG-CD2 4.31Å; M127-Y160 HydrophobicContact CG-CE2 4.01Å; F156-Y160 VanDerWaalsContact O-CB 3.3Å; F156-Y160 WeakPolarHBondContact O-CB 3.27Å; F156-Y160 PolarHBondContact O-N 3.44Å; Y160-A162 VanDerWaalsContact C-N 3.28Å; Y160-A162 PolarHBondContact O-N 3.47Å; Y160-H163 PolarHBondContact O-N 3.04Å; Y160-C164 HydrophobicContact CD2-CB 4.29Å; Y160-C164 HydrophobicContact CE2-CB 3.87Å; Y160-C164 VanDerWaalsContact O-CB 3.29Å; Y160-C164 WeakPolarHBondContact O-CB 3.39Å; Y160-C164 PolarHBondContact O-N 3.48Å; Y160-C164 PolarHBondContact O-SG 3.03Å; Y160-V167 HydrophobicContact CE1-CG1 4.3Å; Y160-N168 PolarHBondContact OH-N 3.38Å; Y160-L172 HydrophobicContact CD1-CD1 3.95Å; Y160-L172 HydrophobicContact CD1-CD2 3.77Å; Y160-L172 HydrophobicContact CD1-CG 4.15Å; Y160-L172 HydrophobicContact CE1-CD1 3.88Å; Y160-L172 HydrophobicContact CE1-CD2 4.09Å; Y160-L172 HydrophobicContact CE1-CG 4.02Å
161L80.7Confident79.4Confident0 Ų028.2 Ų28.20%015%0.154CC..Hα-helixtrans-66.4-29.6177.6-68.3173.7000113.4F157 G159 V167 L172 L190 L233 R236 I237 V240F157-L161 WeakPolarHBondContact O-CB 3.25Å; F157-L161 VanDerWaalsContact O-CG 3.29Å; F157-L161 WeakPolarHBondContact O-CG 3.48Å; F157-L161 PolarHBondContact O-N 3.35Å; F157-L161 VanDerWaalsContact O-N 3.08Å; G159-L161 VanDerWaalsContact C-N 3.31Å; G159-L161 PolarHBondContact O-N 2.88Å; L161-V167 HydrophobicContact CD2-CG1 3.86Å; L161-V167 HydrophobicContact CD2-CG2 3.75Å; L161-L172 HydrophobicContact CD2-CD1 4.24Å; L161-L190 HydrophobicContact CD1-CD2 3.44Å; L161-L190 VanDerWaalsContact CD1-CD2 3.44Å; L161-L233 HydrophobicContact CB-CD1 4.26Å; L161-L233 WeakPolarHBondContact O-CD1 3.27Å; L161-R236 HydrophobicContact CD2-CB 4.37Å; L161-R236 PolarHBondContact O-NH1 2.84Å; L161-I237 HydrophobicContact CD1-CG1 4.18Å; L161-V240 HydrophobicContact CD1-CB 4.4Å; L161-V240 HydrophobicContact CD1-CG2 4.24Å; L161-V240 HydrophobicContact CD2-CG2 3.75Å
162A78Confident79.7Confident16 Ų1622.6 Ų22.613%0.13213%0.128CC..Hα-helixtrans-73-36.4175.600000112.7C158 G159 Y160C158-A162 WeakPolarHBondContact O-CB 3.18Å; C158-A162 PolarHBondContact O-N 3.25Å; C158-A162 VanDerWaalsContact O-N 3.1Å; G159-A162 WeakPolarHBondContact O-CB 3.43Å; G159-A162 PolarHBondContact O-N 3.12Å; Y160-A162 VanDerWaalsContact C-N 3.28Å; Y160-A162 PolarHBondContact O-N 3.47Å
163H78.3Confident79.6Confident5 Ų523.4 Ų23.42%0.02313%0.132CC..Hα-helixtrans-96.5-27.3-171.8-78.7-84000115.2H108 L109 D112 P114 C118 G159 Y160H108-H163 AromaticContact NE2-CE1 3.86Å; L109-H163 HydrophobicContact CD2-CB 3.59Å; D112-H163 PolarHBondContact O-NE2 3.5Å; P114-H163 WeakPolarHBondContact CA-CE1 3.46Å; C118-H163 PolarHBondContact SG-ND1 3.19Å; C118-H163 VanDerWaalsContact SG-ND1 3.45Å; G159-H163 PolarHBondContact O-CD2 3.35Å; G159-H163 VanDerWaalsContact O-CD2 3.25Å; G159-H163 PolarHBondContact O-N 2.94Å; Y160-H163 PolarHBondContact O-N 3.04Å
164C75.9Confident79.5Confident3 Ų325 Ų252%0.0214%0.139CC..  trans-65.9152.3-176.962.70000113.3C124 Y160 R236C124-C164 HydrophobicContact CB-CB 4.28Å; Y160-C164 HydrophobicContact CD2-CB 4.29Å; Y160-C164 HydrophobicContact CE2-CB 3.87Å; Y160-C164 VanDerWaalsContact O-CB 3.29Å; Y160-C164 WeakPolarHBondContact O-CB 3.39Å; Y160-C164 PolarHBondContact O-N 3.48Å; Y160-C164 PolarHBondContact O-SG 3.03Å; C164-R236 PolarHBondContact O-NH1 3.44Å; C164-R236 PolarHBondContact SG-NH1 2.68Å; C164-R236 VanDerWaalsContact SG-NH1 3.44Å
165N72.5Confident79.4Confident88 Ų8825 Ų2547%0.47114%0.138SC..SBendtrans-92.2-42.4168.3-74.4-27.1000110E128E128-N165 PolarHBondContact OE1-N 2.94Å
166S74.1Confident79.1Confident67 Ų6720.3 Ų20.347%0.46912%0.12SC..SBendtrans-122.9122.617456.60000110.5E128 N168E128-S166 PolarHBondContact OE1-N 2.95Å; E128-S166 PolarHBondContact OE1-OG 2.92Å; S166-N168 PolarHBondContact O-N 3.24Å
167V75.6Confident78.6Confident21 Ų2121.6 Ų21.613%0.12713%0.128CC..  trans-73.9112.9178-177.80000109Y160 L161 H169 L172 R236 V240Y160-V167 HydrophobicContact CE1-CG1 4.3Å; L161-V167 HydrophobicContact CD2-CG1 3.86Å; L161-V167 HydrophobicContact CD2-CG2 3.75Å; V167-H169 PolarHBondContact O-CE1 3.41Å; V167-H169 PolarHBondContact O-N 2.93Å; V167-H169 VanDerWaalsContact O-N 3.11Å; V167-H169 PolarHBondContact O-ND1 3.06Å; V167-L172 HydrophobicContact CG1-CD1 3.87Å; V167-R236 HydrophobicContact CG2-CB 4.04Å; V167-R236 VanDerWaalsContact CG2-CD 3.44Å; V167-R236 HydrophobicContact CG2-CG 3.62Å; V167-V240 HydrophobicContact CG1-CG2 4Å
168N80.5Confident78.1Confident25 Ų2521.6 Ų21.613%0.13413%0.128CC..  trans-79.192.6168.6-166.4-7.9000109.6M127 Y160 S166 S170 I171M127-N168 WeakPolarHBondContact O-CB 3.43Å; M127-N168 PolarHBondContact O-ND2 3.47Å; Y160-N168 PolarHBondContact OH-N 3.38Å; S166-N168 PolarHBondContact O-N 3.24Å; N168-S170 VanDerWaalsContact C-N 3.27Å; N168-S170 PolarHBondContact O-N 3.44Å; N168-S170 PolarHBondContact OD1-N 3.26Å; N168-S170 PolarHBondContact OD1-OG 3.47Å; N168-I171 HydrophobicContact CB-CD1 4.29Å; N168-I171 HydrophobicContact CB-CG1 4.49Å; N168-I171 WeakPolarHBondContact ND2-CD1 3.19Å
169H78.6Confident77.7Confident57 Ų5721.2 Ų21.226%0.26413%0.125SC..Hα-helixtrans-64.5-32.8-176.8-63.282.7000111.4V167 I171 L172 M173 T239 Y243V167-H169 PolarHBondContact O-CE1 3.41Å; V167-H169 PolarHBondContact O-N 2.93Å; V167-H169 VanDerWaalsContact O-N 3.11Å; V167-H169 PolarHBondContact O-ND1 3.06Å; H169-I171 PolarHBondContact O-N 3.37Å; H169-L172 PolarHBondContact O-N 3.16Å; H169-M173 WeakPolarHBondContact O-CB 3.2Å; H169-M173 WeakPolarHBondContact O-CG 3.5Å; H169-M173 PolarHBondContact O-N 3.43Å; H169-T239 VanDerWaalsContact NE2-CG2 3.3Å; H169-T239 WeakPolarHBondContact NE2-CG2 3.29Å; H169-Y243 AromaticContact CD2-CD2 3.55Å; H169-Y243 AromaticContact CD2-CE2 3.61Å
170S77.7Confident77Confident40 Ų4024 Ų2428%0.2814%0.141SC..Hα-helixtrans-60.6-45.5-177.263.30000111.6E133 N168 M173 K174E133-S170 WeakPolarHBondContact OE1-CB 3.44Å; E133-S170 PolarHBondContact OE1-OG 3.32Å; E133-S170 PolarHBondContact OE2-OG 3.22Å; N168-S170 VanDerWaalsContact C-N 3.27Å; N168-S170 PolarHBondContact O-N 3.44Å; N168-S170 PolarHBondContact OD1-N 3.26Å; N168-S170 PolarHBondContact OD1-OG 3.47Å; S170-M173 PolarHBondContact O-N 2.92Å; S170-K174 WeakPolarHBondContact O-CB 3.28Å; S170-K174 VanDerWaalsContact O-CG 3.26Å; S170-K174 WeakPolarHBondContact O-CG 3.43Å; S170-K174 PolarHBondContact O-N 2.87Å
171I80.7Confident76.4Confident0 Ų027.8 Ų27.80%017%0.168CC..Hα-helixtrans-62.2-48.3178.8-61.7176.3000110.9M127 E133 F137 N168 H169 M173 K174 L175M127-I171 HydrophobicContact CB-CD1 4.45Å; M127-I171 HydrophobicContact CE-CB 4.32Å; M127-I171 HydrophobicContact CE-CD1 4.12Å; M127-I171 HydrophobicContact CE-CG2 3.5Å; M127-I171 WeakPolarHBondContact O-CD1 3.41Å; M127-I171 HydrophobicContact SD-CD1 4.47Å; E133-I171 HydrophobicContact CG-CD1 3.74Å; E133-I171 HydrophobicContact CG-CG1 3.27Å; F137-I171 HydrophobicContact CB-CG2 4.41Å; N168-I171 HydrophobicContact CB-CD1 4.29Å; N168-I171 HydrophobicContact CB-CG1 4.49Å; N168-I171 WeakPolarHBondContact ND2-CD1 3.19Å; H169-I171 PolarHBondContact O-N 3.37Å; I171-M173 VanDerWaalsContact C-N 3.27Å; I171-M173 PolarHBondContact O-N 2.91Å; I171-K174 PolarHBondContact O-N 2.92Å; I171-L175 HydrophobicContact CG2-CD1 3.92Å; I171-L175 HydrophobicContact CG2-CG 4.19Å; I171-L175 WeakPolarHBondContact O-CB 3.47Å; I171-L175 WeakPolarHBondContact O-CG 3.03Å; I171-L175 PolarHBondContact O-N 3.39Å
172L81.4Confident76Confident1 Ų128.1 Ų28.11%0.00517%0.169CC..Hα-helixtrans-60.9-39.6-179.9-66.4-178.6000111.5F157 Y160 L161 V167 H169 A176 V240F157-L172 HydrophobicContact CD1-CD2 3.94Å; F157-L172 HydrophobicContact CE1-CB 3.92Å; F157-L172 HydrophobicContact CE1-CD2 3.75Å; F157-L172 HydrophobicContact CE1-CG 4.29Å; F157-L172 HydrophobicContact CE2-CD2 4.35Å; F157-L172 HydrophobicContact CG-CD2 4.34Å; F157-L172 HydrophobicContact CZ-CB 4.3Å; F157-L172 HydrophobicContact CZ-CD2 3.97Å; Y160-L172 HydrophobicContact CD1-CD1 3.95Å; Y160-L172 HydrophobicContact CD1-CD2 3.77Å; Y160-L172 HydrophobicContact CD1-CG 4.15Å; Y160-L172 HydrophobicContact CE1-CD1 3.88Å; Y160-L172 HydrophobicContact CE1-CD2 4.09Å; Y160-L172 HydrophobicContact CE1-CG 4.02Å; L161-L172 HydrophobicContact CD2-CD1 4.24Å; V167-L172 HydrophobicContact CG1-CD1 3.87Å; H169-L172 PolarHBondContact O-N 3.16Å; L172-A176 WeakPolarHBondContact O-CB 3.5Å; L172-A176 PolarHBondContact O-N 3.12Å; L172-V240 HydrophobicContact CD1-CG1 4.24Å; L172-V240 HydrophobicContact CD1-CG2 3.83Å
173M77.4Confident75.8Confident31 Ų3128.5 Ų28.515%0.15317%0.168CC..Hα-helixtrans-67.6-44.2176.4-65.4-41.4-77.100111.9H169 S170 I171 A176 V177 Y243 L244 L247H169-M173 WeakPolarHBondContact O-CB 3.2Å; H169-M173 WeakPolarHBondContact O-CG 3.5Å; H169-M173 PolarHBondContact O-N 3.43Å; S170-M173 PolarHBondContact O-N 2.92Å; I171-M173 VanDerWaalsContact C-N 3.27Å; I171-M173 PolarHBondContact O-N 2.91Å; M173-A176 PolarHBondContact O-N 3.33Å; M173-V177 VanDerWaalsContact O-CG2 3.27Å; M173-V177 WeakPolarHBondContact O-CG2 3.34Å; M173-V177 PolarHBondContact O-N 2.6Å; M173-Y243 WeakPolarHBondContact CE-O 3.09Å; M173-Y243 WeakPolarHBondContact SD-CB 3.27Å; M173-Y243 HydrophobicContact SD-CG 4.5Å; M173-L244 HydrophobicContact SD-CD2 4.29Å; M173-L247 HydrophobicContact CE-CB 4.49Å; M173-L247 HydrophobicContact CE-CD1 3.17Å; M173-L247 HydrophobicContact CE-CD2 3.85Å; M173-L247 HydrophobicContact CE-CG 3.21Å; M173-L247 HydrophobicContact SD-CD1 4.37Å
174K78Confident75.8Confident38 Ų3833.4 Ų33.417%0.16519%0.186CC..Hα-helixtrans-61.3-43.4175.6-70.8174.4178176.10111.1I21 E133 F137 S170 I171 V177 N178I21-K174 HydrophobicContact CG1-CD 4.38Å; I21-K174 HydrophobicContact CG1-CG 4.16Å; I21-K174 HydrophobicContact CG2-CB 4.44Å; I21-K174 HydrophobicContact CG2-CG 4.09Å; E133-K174 WeakPolarHBondContact OE1-CE 3.44Å; E133-K174 IonicContact OE1-NZ 2.95Å; E133-K174 PolarHBondContact OE1-NZ 2.9Å; F137-K174 HydrophobicContact CD1-CB 4.19Å; F137-K174 HydrophobicContact CD1-CD 4.23Å; F137-K174 HydrophobicContact CD2-CB 3.59Å; F137-K174 HydrophobicContact CE1-CB 4.12Å; F137-K174 HydrophobicContact CE2-CB 3.52Å; F137-K174 VanDerWaalsContact CE2-O 3.27Å; F137-K174 WeakPolarHBondContact CE2-O 3.39Å; F137-K174 HydrophobicContact CG-CB 3.97Å; F137-K174 HydrophobicContact CG-CD 4.38Å; F137-K174 HydrophobicContact CZ-CB 3.82Å; S170-K174 WeakPolarHBondContact O-CB 3.28Å; S170-K174 VanDerWaalsContact O-CG 3.26Å; S170-K174 WeakPolarHBondContact O-CG 3.43Å; S170-K174 PolarHBondContact O-N 2.87Å; I171-K174 PolarHBondContact O-N 2.92Å; K174-V177 PolarHBondContact O-N 2.82Å; K174-N178 PolarHBondContact O-N 3.24Å; K174-N178 PolarHBondContact O-ND2 3.36Å
175L78.4Confident76Confident0 Ų037.5 Ų37.50%020%0.204CC..Hα-helixtrans-59.2-49.3174.2-75174.8000111.5F137 L140 F144 F156 F157 I171 V177 N178 L179F137-L175 HydrophobicContact CD2-CD2 3.69Å; F137-L175 HydrophobicContact CD2-CG 3.85Å; F137-L175 HydrophobicContact CE2-CD2 3.99Å; F137-L175 HydrophobicContact CE2-CG 4.26Å; L140-L175 HydrophobicContact CB-CD2 3.96Å; L140-L175 HydrophobicContact CD1-CD1 4.39Å; F144-L175 HydrophobicContact CD2-CD2 4.5Å; F156-L175 HydrophobicContact CE1-CD1 3.89Å; F157-L175 HydrophobicContact CE2-CB 4.35Å; F157-L175 HydrophobicContact CE2-CD1 4.48Å; F157-L175 HydrophobicContact CZ-CB 4.22Å; I171-L175 HydrophobicContact CG2-CD1 3.92Å; I171-L175 HydrophobicContact CG2-CG 4.19Å; I171-L175 WeakPolarHBondContact O-CB 3.47Å; I171-L175 WeakPolarHBondContact O-CG 3.03Å; I171-L175 PolarHBondContact O-N 3.39Å; L175-V177 VanDerWaalsContact C-N 3.31Å; L175-V177 PolarHBondContact O-N 2.8Å; L175-N178 PolarHBondContact O-N 3.1Å; L175-N178 VanDerWaalsContact O-N 3.16Å; L175-L179 PolarHBondContact O-N 3.16Å; L175-L179 VanDerWaalsContact O-N 3.11Å
176A75.9Confident76.3Confident11 Ų1133.6 Ų33.69%0.09118%0.184CC..Hα-helixtrans-63.3-35.3-179.600000112.9F157 L172 M173 N178 L179 L244 L247F157-A176 HydrophobicContact CZ-CB 4.49Å; L172-A176 WeakPolarHBondContact O-CB 3.5Å; L172-A176 PolarHBondContact O-N 3.12Å; M173-A176 PolarHBondContact O-N 3.33Å; A176-N178 VanDerWaalsContact C-N 3.31Å; A176-N178 PolarHBondContact O-N 3.29Å; A176-L179 PolarHBondContact O-N 3.25Å; A176-L244 HydrophobicContact CB-CD2 3.44Å; A176-L244 VanDerWaalsContact CB-CD2 3.44Å; A176-L247 HydrophobicContact CB-CD1 4.2Å
177V73.7Confident76.6Confident26 Ų2630.5 Ų30.516%0.15816%0.162CC..Hα-helixtrans-65.9-33.5175.9169.20000112I21 L22 M173 K174 L175 L247I21-V177 HydrophobicContact CG2-CG1 4.22Å; L22-V177 HydrophobicContact CD2-CG1 4.39Å; M173-V177 VanDerWaalsContact O-CG2 3.27Å; M173-V177 WeakPolarHBondContact O-CG2 3.34Å; M173-V177 PolarHBondContact O-N 2.6Å; K174-V177 PolarHBondContact O-N 2.82Å; L175-V177 VanDerWaalsContact C-N 3.31Å; L175-V177 PolarHBondContact O-N 2.8Å; V177-L247 HydrophobicContact CG2-CD1 3.85Å; V177-L247 HydrophobicContact CG2-CD2 3.84Å
178N74.3Confident76.8Confident1 Ų133.5 Ų33.51%0.00517%0.174CC..Hα-helixtrans-90.4-8.5-177.5-75.2-93.2000113.9I21 P24 V25 F137 H145 K174 L175 A176 P180I21-N178 PolarHBondContact O-ND2 3.16Å; I21-N178 PolarHBondContact O-OD1 3.02Å; P24-N178 WeakPolarHBondContact CD-OD1 3.33Å; V25-N178 HydrophobicContact CG2-CB 3.9Å; V25-N178 WeakPolarHBondContact CG2-OD1 3.48Å; F137-N178 HydrophobicContact CZ-CB 4.39Å; F137-N178 WeakPolarHBondContact CZ-ND2 3.38Å; H145-N178 PolarHBondContact CE1-O 2.91Å; K174-N178 PolarHBondContact O-N 3.24Å; K174-N178 PolarHBondContact O-ND2 3.36Å; L175-N178 PolarHBondContact O-N 3.1Å; L175-N178 VanDerWaalsContact O-N 3.16Å; A176-N178 VanDerWaalsContact C-N 3.31Å; A176-N178 PolarHBondContact O-N 3.29Å; N178-P180 WeakPolarHBondContact O-CD 3.47Å
179L74.8Confident76.8Confident8 Ų834.4 Ų34.44%0.04218%0.178CC..  trans-122.660.2178.4-65.7161.9000110.2F144 H145 V153 L175 A176 S181 D182F144-L179 HydrophobicContact CB-CD1 4.33Å; F144-L179 HydrophobicContact CB-CD2 4.41Å; F144-L179 HydrophobicContact CD2-CD1 4.25Å; H145-L179 WeakPolarHBondContact CE1-CD2 3.46Å; V153-L179 HydrophobicContact CG1-CD1 3.95Å; V153-L179 HydrophobicContact CG2-CD1 4.13Å; L175-L179 PolarHBondContact O-N 3.16Å; L175-L179 VanDerWaalsContact O-N 3.11Å; A176-L179 PolarHBondContact O-N 3.25Å; L179-S181 VanDerWaalsContact C-N 3.28Å; L179-S181 PolarHBondContact O-N 3.22Å; L179-D182 HydrophobicContact CB-CB 4.48Å; L179-D182 PolarHBondContact O-N 2.9Å; L179-D182 VanDerWaalsContact O-N 3.14Å
180P67Low76.9Confident65 Ų6531.7 Ų31.742%0.42217%0.166SC..G310 helixtrans-65.3-29.6-172.326.4-34.8000113.2F3 N178 D182F3-P180 HydrophobicContact CD2-CG 4.14Å; F3-P180 HydrophobicContact CE2-CG 4.02Å; F3-P180 HydrophobicContact CG-CG 4.5Å; F3-P180 HydrophobicContact CZ-CG 4.32Å; N178-P180 WeakPolarHBondContact O-CD 3.47Å; P180-D182 PolarHBondContact O-N 3.03Å
181S71.9Confident77Confident80 Ų8030.7 Ų30.756%0.55916%0.156SC*.G310 helixtrans-62.5-27.917756.30000112.9L179L179-S181 VanDerWaalsContact C-N 3.28Å; L179-S181 PolarHBondContact O-N 3.22Å
182D71.8Confident76.9Confident7 Ų735.7 Ų35.74%0.03718%0.177CC..G310 helixtrans-99.6-4-169.5-62.7-7.2000112.5Y150 L179 P180 W184 H185 V186Y150-D182 WeakPolarHBondContact CD1-OD1 3.35Å; L179-D182 HydrophobicContact CB-CB 4.48Å; L179-D182 PolarHBondContact O-N 2.9Å; L179-D182 VanDerWaalsContact O-N 3.14Å; P180-D182 PolarHBondContact O-N 3.03Å; D182-W184 VanDerWaalsContact C-N 3.31Å; D182-W184 PolarHBondContact O-N 3.43Å; D182-H185 CarbonylContact O-C 3.35Å; D182-H185 WeakPolarHBondContact O-CA 3.47Å; D182-H185 WeakPolarHBondContact O-CB 3.45Å; D182-H185 PolarHBondContact O-N 3.38Å; D182-V186 WeakPolarHBondContact O-CG2 2.99Å; D182-V186 PolarHBondContact O-N 2.96Å
183W74.2Confident76.7Confident25 Ų2537.7 Ų37.710%0.09519%0.188CC..Hα-helixtrans-51.4-48.7-176-178.391.1000112.2H185 V186 V187 L244 N248 D251W183-H185 VanDerWaalsContact C-N 3.34Å; W183-H185 PolarHBondContact O-N 3.31Å; W183-V186 PolarHBondContact O-N 3.44Å; W183-V187 HydrophobicContact CD2-CG2 4.14Å; W183-V187 HydrophobicContact CE3-CG2 4.32Å; W183-V187 HydrophobicContact CH2-CG2 4.15Å; W183-V187 HydrophobicContact CZ2-CG2 3.97Å; W183-V187 HydrophobicContact CZ3-CG2 4.32Å; W183-V187 WeakPolarHBondContact O-CG2 3.44Å; W183-V187 PolarHBondContact O-N 2.63Å; W183-L244 PolarHBondContact NE1-O 3.18Å; W183-N248 HydrophobicContact CZ2-CB 4.33Å; W183-D251 HydrophobicContact CH2-CB 3.59Å; W183-D251 HydrophobicContact CZ3-CB 4.05Å; W183-D251 WeakPolarHBondContact CZ3-OD2 3.48Å
184W78.4Confident76.5Confident108 Ų10836.4 Ų36.441%0.40918%0.182SC..Hα-helixtrans-67.2-34.1179.1-112.9104.7000112.6D182 H188 W191D182-W184 VanDerWaalsContact C-N 3.31Å; D182-W184 PolarHBondContact O-N 3.43Å; W184-H188 WeakPolarHBondContact O-CB 3.18Å; W184-H188 PolarHBondContact O-N 3.32Å; W184-W191 HydrophobicContact CH2-CH2 4.48Å; W184-W191 HydrophobicContact CH2-CZ3 4.04Å; W184-W191 AromaticContact CZ3-CZ3 3.76Å; W184-W191 HydrophobicContact CZ3-CZ3 3.76Å
185H78.7Confident76.2Confident88 Ų8840 Ų4041%0.40720%0.198SC..Hα-helixtrans-68-41.6175.6-70.4-54.7000111.7D182 W183 H188 E189D182-H185 CarbonylContact O-C 3.35Å; D182-H185 WeakPolarHBondContact O-CA 3.47Å; D182-H185 WeakPolarHBondContact O-CB 3.45Å; D182-H185 PolarHBondContact O-N 3.38Å; W183-H185 VanDerWaalsContact C-N 3.34Å; W183-H185 PolarHBondContact O-N 3.31Å; H185-H188 PolarHBondContact O-N 2.79Å; H185-E189 WeakPolarHBondContact O-CG 3.14Å; H185-E189 PolarHBondContact O-N 2.96Å
186V79.2Confident75.8Confident7 Ų742.6 Ų42.64%0.04222%0.216CC..Hα-helixtrans-62.4-50174.9174.40000110.6V153 F157 D182 W183 H188 E189 L190 L244V153-V186 HydrophobicContact CB-CG2 4.48Å; V153-V186 HydrophobicContact CG1-CG2 3.78Å; F157-V186 HydrophobicContact CB-CG1 4.03Å; F157-V186 HydrophobicContact CD1-CG1 3.51Å; F157-V186 HydrophobicContact CD2-CG1 4.12Å; F157-V186 HydrophobicContact CD2-CG2 4.34Å; F157-V186 HydrophobicContact CE1-CG1 3.91Å; F157-V186 HydrophobicContact CE2-CG1 4.47Å; F157-V186 HydrophobicContact CE2-CG2 4.49Å; F157-V186 HydrophobicContact CG-CG1 3.62Å; F157-V186 HydrophobicContact CZ-CG1 4.38Å; D182-V186 WeakPolarHBondContact O-CG2 2.99Å; D182-V186 PolarHBondContact O-N 2.96Å; W183-V186 PolarHBondContact O-N 3.44Å; V186-H188 VanDerWaalsContact C-N 3.26Å; V186-H188 PolarHBondContact O-N 3.21Å; V186-E189 PolarHBondContact O-N 2.87Å; V186-L190 HydrophobicContact CG1-CD1 4Å; V186-L190 HydrophobicContact CG1-CG 4.41Å; V186-L190 WeakPolarHBondContact O-CB 3.36Å; V186-L190 VanDerWaalsContact O-CG 3.3Å; V186-L190 WeakPolarHBondContact O-CG 3.48Å; V186-L190 PolarHBondContact O-N 3.46Å; V186-L244 HydrophobicContact CG1-CD1 4.12Å
187V79.5Confident75.3Confident1 Ų144.1 Ų44.11%0.00622%0.223CC..Hα-helixtrans-57.5-41.9176.8171.30000111W183 L190 W191 L241 L244W183-V187 HydrophobicContact CD2-CG2 4.14Å; W183-V187 HydrophobicContact CE3-CG2 4.32Å; W183-V187 HydrophobicContact CH2-CG2 4.15Å; W183-V187 HydrophobicContact CZ2-CG2 3.97Å; W183-V187 HydrophobicContact CZ3-CG2 4.32Å; W183-V187 WeakPolarHBondContact O-CG2 3.44Å; W183-V187 PolarHBondContact O-N 2.63Å; V187-L190 PolarHBondContact O-N 3.05Å; V187-W191 HydrophobicContact CG1-CD2 4.07Å; V187-W191 HydrophobicContact CG1-CE3 3.66Å; V187-W191 HydrophobicContact CG1-CH2 3.77Å; V187-W191 HydrophobicContact CG1-CZ2 4.2Å; V187-W191 HydrophobicContact CG1-CZ3 3.48Å; V187-W191 VanDerWaalsContact CG1-CZ3 3.48Å; V187-W191 PolarHBondContact O-N 3.1Å; V187-L241 HydrophobicContact CB-CD2 4.48Å; V187-L241 HydrophobicContact CG1-CD2 4.11Å; V187-L241 HydrophobicContact CG2-CD2 4.37Å; V187-L244 HydrophobicContact CG2-CD1 4.28Å
188H81Confident74.7Confident84 Ų8445.5 Ų45.539%0.38923%0.231SC..Hα-helixtrans-68.1-40.7178.8-176.9-110000113.6W184 H185 V186 W191 K192W184-H188 WeakPolarHBondContact O-CB 3.18Å; W184-H188 PolarHBondContact O-N 3.32Å; H185-H188 PolarHBondContact O-N 2.79Å; V186-H188 VanDerWaalsContact C-N 3.26Å; V186-H188 PolarHBondContact O-N 3.21Å; H188-W191 PolarHBondContact O-N 3.48Å; H188-K192 WeakPolarHBondContact CE1-CE 3.23Å; H188-K192 WeakPolarHBondContact O-CG 3.48Å; H188-K192 PolarHBondContact O-N 3.47Å
189E79.8Confident73.8Confident45 Ų4549.9 Ų49.921%0.2126%0.255CS..Hα-helixtrans-67.5-39.9174.8-74.2-57.5135.600111.9C158 H185 V186 W191 K192 L193C158-E189 VanDerWaalsContact SG-C 3.51Å; C158-E189 PolarHBondContact SG-O 3.33Å; H185-E189 WeakPolarHBondContact O-CG 3.14Å; H185-E189 PolarHBondContact O-N 2.96Å; V186-E189 PolarHBondContact O-N 2.87Å; E189-W191 VanDerWaalsContact C-N 3.3Å; E189-W191 PolarHBondContact O-N 3.28Å; E189-K192 WeakPolarHBondContact O-CB 3.48Å; E189-K192 PolarHBondContact O-N 3.14Å; E189-K192 IonicContact OE1-NZ 3.45Å; E189-K192 PolarHBondContact OE1-NZ 3.09Å; E189-L193 PolarHBondContact O-N 2.98Å
190L81.2Confident72.6Confident0 Ų053.8 Ų53.80%027%0.271CS..Hα-helixtrans-61.1-39.1173.3-70.8175.8000111.8F157 L161 V186 V187 L193 G194 I237 V240 L241 L244F157-L190 HydrophobicContact CB-CD2 4.38Å; L161-L190 HydrophobicContact CD1-CD2 3.44Å; L161-L190 VanDerWaalsContact CD1-CD2 3.44Å; V186-L190 HydrophobicContact CG1-CD1 4Å; V186-L190 HydrophobicContact CG1-CG 4.41Å; V186-L190 WeakPolarHBondContact O-CB 3.36Å; V186-L190 VanDerWaalsContact O-CG 3.3Å; V186-L190 WeakPolarHBondContact O-CG 3.48Å; V186-L190 PolarHBondContact O-N 3.46Å; V187-L190 PolarHBondContact O-N 3.05Å; L190-L193 PolarHBondContact O-N 3.33Å; L190-G194 PolarHBondContact O-N 3.42Å; L190-I237 HydrophobicContact CB-CG2 4.33Å; L190-V240 HydrophobicContact CD1-CG1 4.11Å; L190-L241 HydrophobicContact CB-CD2 4.05Å; L190-L241 HydrophobicContact CB-CG 4.48Å; L190-L241 HydrophobicContact CD1-CD2 3.9Å; L190-L241 HydrophobicContact CD1-CG 4.34Å; L190-L244 HydrophobicContact CD1-CD1 3.86Å
191W79.6Confident71.6Confident19 Ų1954.7 Ų54.77%0.07228%0.279CS..Hα-helixtrans-66.1-42.9172.7-86.8-35.9000113.1W184 V187 H188 E189 L193 G194 K195 V255 N258W184-W191 HydrophobicContact CH2-CH2 4.48Å; W184-W191 HydrophobicContact CH2-CZ3 4.04Å; W184-W191 AromaticContact CZ3-CZ3 3.76Å; W184-W191 HydrophobicContact CZ3-CZ3 3.76Å; V187-W191 HydrophobicContact CG1-CD2 4.07Å; V187-W191 HydrophobicContact CG1-CE3 3.66Å; V187-W191 HydrophobicContact CG1-CH2 3.77Å; V187-W191 HydrophobicContact CG1-CZ2 4.2Å; V187-W191 HydrophobicContact CG1-CZ3 3.48Å; V187-W191 VanDerWaalsContact CG1-CZ3 3.48Å; V187-W191 PolarHBondContact O-N 3.1Å; H188-W191 PolarHBondContact O-N 3.48Å; E189-W191 VanDerWaalsContact C-N 3.3Å; E189-W191 PolarHBondContact O-N 3.28Å; W191-L193 VanDerWaalsContact C-N 3.29Å; W191-L193 PolarHBondContact O-N 2.9Å; W191-G194 PolarHBondContact O-N 2.97Å; W191-K195 PolarHBondContact O-N 3Å; W191-V255 HydrophobicContact CH2-CB 4.39Å; W191-V255 HydrophobicContact CH2-CG2 3.94Å; W191-V255 HydrophobicContact CZ2-CB 4.24Å; W191-V255 HydrophobicContact CZ2-CG1 3.9Å; W191-V255 HydrophobicContact CZ2-CG2 4.15Å; W191-N258 HydrophobicContact CH2-CB 3.47Å; W191-N258 VanDerWaalsContact CH2-CB 3.47Å; W191-N258 WeakPolarHBondContact CH2-ND2 3.45Å; W191-N258 HydrophobicContact CZ2-CB 3.58Å; W191-N258 HydrophobicContact CZ3-CB 4.14Å; W191-N258 VanDerWaalsContact CZ3-ND2 3.32Å; W191-N258 WeakPolarHBondContact CZ3-ND2 3.25Å
192K79.3Confident69.7Low104 Ų10459.5 Ų59.545%0.45229%0.29SS..Hα-helixtrans-58.5-43.6174.7-77.9178.5-178.1166.40111.6H188 E189 K195 S196H188-K192 WeakPolarHBondContact CE1-CE 3.23Å; H188-K192 WeakPolarHBondContact O-CG 3.48Å; H188-K192 PolarHBondContact O-N 3.47Å; E189-K192 WeakPolarHBondContact O-CB 3.48Å; E189-K192 PolarHBondContact O-N 3.14Å; E189-K192 IonicContact OE1-NZ 3.45Å; E189-K192 PolarHBondContact OE1-NZ 3.09Å; K192-K195 PolarHBondContact O-N 3.03Å; K192-S196 PolarHBondContact O-N 3.33Å
193L77Confident67.6Low44 Ų4464.6 Ų64.623%0.2333%0.325CS..Hα-helixtrans-61.6-46.2175.6-176.165.6000110.6C158 E189 L190 W191 K195 S196 L197 I237C158-L193 HydrophobicContact CB-CD2 3.89Å; E189-L193 PolarHBondContact O-N 2.98Å; L190-L193 PolarHBondContact O-N 3.33Å; W191-L193 VanDerWaalsContact C-N 3.29Å; W191-L193 PolarHBondContact O-N 2.9Å; L193-K195 VanDerWaalsContact C-N 3.32Å; L193-K195 PolarHBondContact O-N 3.32Å; L193-S196 PolarHBondContact O-N 3.3Å; L193-L197 WeakPolarHBondContact O-CG 3.49Å; L193-L197 PolarHBondContact O-N 3.25Å; L193-I237 HydrophobicContact CD2-CD1 3.84Å; L193-I237 HydrophobicContact CG-CD1 4.08Å
194G72.8Confident65.4Low3 Ų372.3 Ų72.33%0.03136%0.362CS..Hα-helixtrans-54.3-44.3173.300000113.4L190 W191 L197 T198L190-G194 PolarHBondContact O-N 3.42Å; W191-G194 PolarHBondContact O-N 2.97Å; G194-L197 WeakPolarHBondContact O-CB 3.38Å; G194-L197 PolarHBondContact O-N 2.59Å; G194-T198 PolarHBondContact O-N 3.4Å
195K72.1Confident62.9Low114 Ų11469.6 Ų69.650%0.49637%0.367SS..Hα-helixtrans-65.7-40.8178.1-169.1174.6-179.3-177.70113.7W191 K192 L193 L197 T198 D199 Q264W191-K195 PolarHBondContact O-N 3Å; K192-K195 PolarHBondContact O-N 3.03Å; L193-K195 VanDerWaalsContact C-N 3.32Å; L193-K195 PolarHBondContact O-N 3.32Å; K195-L197 PolarHBondContact O-N 3.46Å; K195-T198 PolarHBondContact O-N 3.14Å; K195-T198 PolarHBondContact O-OG1 3.31Å; K195-D199 PolarHBondContact O-N 3.1Å; K195-D199 VanDerWaalsContact O-N 3.09Å; K195-Q264 VanDerWaalsContact CB-NE2 3.26Å
196S69.7Low60.4Low55 Ų5572.5 Ų72.539%0.38539%0.386SS..Hα-helixtrans-60.8-33.1176-1690000112.4K192 L193K192-S196 PolarHBondContact O-N 3.33Å; L193-S196 PolarHBondContact O-N 3.3Å
197L65.8Low57.9Low43 Ų4379.5 Ų79.523%0.22542%0.423CS..Hα-helixtrans-71-41177-65.8166.5000112L193 G194 K195 S201 L233 I237L193-L197 WeakPolarHBondContact O-CG 3.49Å; L193-L197 PolarHBondContact O-N 3.25Å; G194-L197 WeakPolarHBondContact O-CB 3.38Å; G194-L197 PolarHBondContact O-N 2.59Å; K195-L197 PolarHBondContact O-N 3.46Å; L197-S201 PolarHBondContact O-N 2.95Å; L197-L233 HydrophobicContact CD1-CB 4.43Å; L197-L233 HydrophobicContact CD1-CD2 3.74Å; L197-L233 HydrophobicContact CD1-CG 3.94Å; L197-L233 HydrophobicContact CD2-CD2 4Å; L197-L233 HydrophobicContact CG-CD2 4.44Å; L197-I237 HydrophobicContact CD1-CD1 3.98Å
198T60Low55.3Low55 Ų5585.1 Ų85.134%0.33746%0.462SS..Hα-helixtrans-70.1-43-179.553.20000112.6G194 K195 K200 S201 F202 Q264G194-T198 PolarHBondContact O-N 3.4Å; K195-T198 PolarHBondContact O-N 3.14Å; K195-T198 PolarHBondContact O-OG1 3.31Å; T198-K200 VanDerWaalsContact C-N 3.25Å; T198-K200 PolarHBondContact O-N 3.41Å; T198-S201 PolarHBondContact O-N 3.27Å; T198-S201 VanDerWaalsContact O-N 3.17Å; T198-S201 PolarHBondContact O-OG 2.85Å; T198-F202 PolarHBondContact O-N 3.2Å; T198-Q264 HydrophobicContact CG2-CG 4.49Å; T198-Q264 PolarHBondContact OG1-NE2 3.5Å
199D55.8Low52.6Low93 Ų9389.4 Ų89.450%0.49748%0.482SS..Hα-helixtrans-62.6-34.4-177.7-71.1-13.5000111.4K195 F202K195-D199 PolarHBondContact O-N 3.1Å; K195-D199 VanDerWaalsContact O-N 3.09Å; D199-F202 PolarHBondContact O-N 3.37Å
200K50.5Low50Low90 Ų9093.1 Ų93.139%0.39150%0.504SS..Hα-helixtrans-73.7-30.5177.6-74.4176.6177.7167.40113.9T198 F202T198-K200 VanDerWaalsContact C-N 3.25Å; T198-K200 PolarHBondContact O-N 3.41Å; K200-F202 PolarHBondContact O-N 3.04Å
201S45.2Very low47.4Very low84 Ų84101.8 Ų101.859%0.58754%0.542SS*.Hα-helixtrans-69.3-22.8176.669.20000113.3L197 T198L197-S201 PolarHBondContact O-N 2.95Å; T198-S201 PolarHBondContact O-N 3.27Å; T198-S201 VanDerWaalsContact O-N 3.17Å; T198-S201 PolarHBondContact O-OG 2.85Å
202F32.7Very low44.9Very low181 Ų181109.1 Ų109.179%0.79458%0.582SS**Hα-helixtrans-85.3-22.4178.9-104.6-88.9000114.1T198 D199 K200T198-F202 PolarHBondContact O-N 3.2Å; D199-F202 PolarHBondContact O-N 3.37Å; K200-F202 PolarHBondContact O-N 3.04Å
203C28.2Very low42.4Very low114 Ų114107.7 Ų107.777%0.7760%0.597SS**SBendtrans-92.68.4-175.8-66.50000115.1
204Q27.1Very low39.8Very low187 Ų187110.7 Ų110.787%0.87462%0.622SS**SBendtrans-104.222.6-178.9-115.1-178.110.200114.8
205G25.7Very low37.5Very low50 Ų50118.7 Ų118.752%0.51566%0.658SS.*SBendtrans-141.392.5167.500000108.9
206D25.7Very low35.1Very low150 Ų150123.8 Ų123.880%0.80267%0.674SS**SBendtrans162.1138.7141.9-81.5-19.4000110
207N27.4Very low32.9Very low154 Ų154128.2 Ų128.282%0.82469%0.693SS**  trans92.468.1165.9-47.4-30.5000117.4Q209N207-Q209 PolarHBondContact O-N 3.25Å
208S25.1Very low30.9Very low118 Ų118132 Ų13283%0.82572%0.723SS**  trans-74.893.3138.857.80000108.9
209Q24.8Very low29.1Very low174 Ų174137.9 Ų137.981%0.81375%0.746SS**  trans-177.7135.6147.5-103.9167.911.300110.9N207N207-Q209 PolarHBondContact O-N 3.25Å
210D24.4Very low27.8Very low124 Ų124138.4 Ų138.466%0.66376%0.758SS**  trans83.3109.2152.6-75.812000121.3
211K27.2Very low26.6Very low181 Ų181141.9 Ų141.979%0.78778%0.777SS**  99.8111.4125.5-71.4178.7-174.4179.40119.4
212D25.5Very low25.9Very low173 Ų173141.3 Ų141.393%0.92577%0.773SS**  trans-1.1119.4136.1-65.4-39000116.1
213G26.9Very low25.9Very low74 Ų74139 Ų13976%0.76377%0.769SS**  trans178.767.4176.800000111.7Q215G213-Q215 PolarHBondContact O-N 3.03Å
214S23.6Very low26.2Very low107 Ų107137.5 Ų137.575%0.74875%0.753SS**  trans-51.6123.7164.148.80000111.5
215Q24.7Very low26.6Very low171 Ų171131 Ų13180%0.79974%0.736SS**  168.1112.3124.7-88.5171.227.300113.4G213G213-Q215 PolarHBondContact O-N 3.03Å
216R21.7Very low27.3Very low222 Ų222133.5 Ų133.584%0.83875%0.751SS**  trans63.2110.8134-67.7-177.8-178.6179.21121.6
217L22.4Very low28.1Very low147 Ų147131.8 Ų131.877%0.7774%0.742SS**  81.1101128.4-63.3165000119.7
218S24.5Very low28.9Very low124 Ų124127.3 Ų127.387%0.86772%0.717SS**  -161.8102.3113.453.90000110.3S220S218-S220 PolarHBondContact O-N 3.12Å
219H22.9Very low30.3Very low177 Ų177126.9 Ų126.982%0.81971%0.706SS**  trans-77.2113.6174.1-80.8-79.7000110.2
220S26.6Very low31.7Very low105 Ų105121.6 Ų121.673%0.73469%0.687SS**SBendtrans-175.8129.7143560000109.5S218S218-S220 PolarHBondContact O-N 3.12Å
221M25.6Very low33.3Very low162 Ų162123 Ų12380%0.79869%0.687SS**SBendtrans93.415.7172.2-59.9-82.5142.200119.2
222S31.8Very low35.2Very low73 Ų73116.6 Ų116.651%0.5167%0.665SS.*  trans-86.3150.5160.365.50000111K113K113-S222 PolarHBondContact NZ-O 3.09Å
223D32.5Very low37.4Very low131 Ų131108.8 Ų108.870%0.70162%0.623SS**  trans80.460.6164.4-41.9-39.8000117.9K113K113-D223 PolarHBondContact NZ-O 3.15Å
224I34.7Very low39.5Very low84 Ų84107.2 Ų107.243%0.43160%0.6SS.*SBendtrans-116.1-5.2162.5-59.5-179.8000112.2K113K113-I224 HydrophobicContact CD-CD1 4.2Å; K113-I224 HydrophobicContact CD-CG1 3.68Å; K113-I224 HydrophobicContact CG-CD1 4.01Å; K113-I224 HydrophobicContact CG-CG1 3.92Å
225G35.6Very low41.8Very low50 Ų50105.6 Ų105.652%0.51559%0.588SS.*SBendtrans-96.5-7.1-164.900000118.4
226A40.2Very low44.2Very low102 Ų10299.2 Ų99.284%0.84356%0.557SS**SBendtrans-85.1-9.5-16500000115.6
227L41.7Very low47Very low115 Ų11588.7 Ų88.760%0.60252%0.517SS*.SBendtrans-122.2-12.9-164.9-128.776.9000116.9P116P116-L227 HydrophobicContact CB-CD2 3.56Å; P116-L227 HydrophobicContact CG-CD2 3.58Å
228L45.3Very low49.7Very low59 Ų5983 Ų8331%0.30949%0.487SS..SBendtrans-112.6130.9177.6-74.9163.1000109.4P114 P230P114-L228 HydrophobicContact CB-CD1 3.82Å; P114-L228 HydrophobicContact CG-CD1 3.48Å; P114-L228 VanDerWaalsContact CG-CD1 3.48Å; L228-P230 WeakPolarHBondContact O-CD 3.27Å
229N53.9Low52.2Low110 Ų11079.6 Ų79.659%0.58846%0.461SS*.  trans-59.7108.8175.5-159.9-9.2000108.2F231 S232N229-F231 PolarHBondContact O-N 3.41Å; N229-S232 WeakPolarHBondContact O-CB 3.2Å; N229-S232 PolarHBondContact O-N 3.35Å; N229-S232 PolarHBondContact O-OG 3.42Å
230P55.1Low54.9Low63 Ų6371.2 Ų71.241%0.40942%0.422SS..Hα-helixtrans-58.1-29.3-167.8-24.833.5000112.8L228 S234L228-P230 WeakPolarHBondContact O-CD 3.27Å; P230-S234 WeakPolarHBondContact O-CB 3.23Å; P230-S234 PolarHBondContact O-N 3.38Å
231F57.6Low57.6Low154 Ų15466.2 Ų66.268%0.67539%0.387SS*.Hα-helixtrans-62-40.2175.1-70.4-79.7000113N229 S234 C235N229-F231 PolarHBondContact O-N 3.41Å; F231-S234 PolarHBondContact O-N 3.06Å; F231-C235 WeakPolarHBondContact O-CB 3.06Å; F231-C235 PolarHBondContact O-N 2.89Å; F231-C235 PolarHBondContact O-SG 2.84Å
232S66.7Low60.2Low45 Ų4560.5 Ų60.532%0.31536%0.358SS..Hα-helixtrans-67.1-40.8-178.971.10000112.3N229 R236N229-S232 WeakPolarHBondContact O-CB 3.2Å; N229-S232 PolarHBondContact O-N 3.35Å; N229-S232 PolarHBondContact O-OG 3.42Å; S232-R236 VanDerWaalsContact O-CG 3.31Å; S232-R236 WeakPolarHBondContact O-CG 3.3Å; S232-R236 PolarHBondContact O-N 3.45Å; S232-R236 VanDerWaalsContact O-N 3.12Å; S232-R236 PolarHBondContact O-NE 3.38Å; S232-R236 PolarHBondContact OG-NH2 3.13Å
233L71.7Confident62.4Low9 Ų961.3 Ų61.35%0.04735%0.35CS..Hα-helixtrans-71.3-42178.3-177.759.9000110.7L161 L197 C235 R236 I237L161-L233 HydrophobicContact CB-CD1 4.26Å; L161-L233 WeakPolarHBondContact O-CD1 3.27Å; L197-L233 HydrophobicContact CD1-CB 4.43Å; L197-L233 HydrophobicContact CD1-CD2 3.74Å; L197-L233 HydrophobicContact CD1-CG 3.94Å; L197-L233 HydrophobicContact CD2-CD2 4Å; L197-L233 HydrophobicContact CG-CD2 4.44Å; L233-C235 PolarHBondContact O-N 3.06Å; L233-R236 PolarHBondContact O-N 3.29Å; L233-I237 HydrophobicContact CD1-CD1 4.34Å; L233-I237 HydrophobicContact CG-CD1 4.02Å; L233-I237 VanDerWaalsContact O-CG1 3.28Å; L233-I237 WeakPolarHBondContact O-CG1 3.49Å; L233-I237 PolarHBondContact O-N 3.43Å
234S71.8Confident64.6Low41 Ų4155.1 Ų55.129%0.28732%0.317SS..Hα-helixtrans-59.4-44.6174.9-175.60000112.4P230 F231 I237 Q238 F265P230-S234 WeakPolarHBondContact O-CB 3.23Å; P230-S234 PolarHBondContact O-N 3.38Å; F231-S234 PolarHBondContact O-N 3.06Å; S234-I237 PolarHBondContact O-N 3.49Å; S234-Q238 WeakPolarHBondContact O-CB 3.37Å; S234-Q238 PolarHBondContact O-N 3.12Å; S234-F265 WeakPolarHBondContact OG-CE1 3.42Å
235C71.7Confident66.7Low73 Ų7351.1 Ų51.149%0.49330%0.297SS..Hα-helixtrans-61.2-45.1174.6-79.80000112.1F231 L233 I237 Q238 T239F231-C235 WeakPolarHBondContact O-CB 3.06Å; F231-C235 PolarHBondContact O-N 2.89Å; F231-C235 PolarHBondContact O-SG 2.84Å; L233-C235 PolarHBondContact O-N 3.06Å; C235-I237 VanDerWaalsContact C-N 3.35Å; C235-I237 PolarHBondContact O-N 2.96Å; C235-Q238 PolarHBondContact O-N 2.95Å; C235-T239 PolarHBondContact O-N 3.29Å; C235-T239 PolarHBondContact O-OG1 2.89Å
236R75Confident68.6Low38 Ų3854.6 Ų54.614%0.14330%0.298CS..Hα-helixtrans-58.8-45176.6-75.4-178.8-82.2178.4-9.5112.1L161 C164 V167 S232 L233 T239 V240L161-R236 HydrophobicContact CD2-CB 4.37Å; L161-R236 PolarHBondContact O-NH1 2.84Å; C164-R236 PolarHBondContact O-NH1 3.44Å; C164-R236 PolarHBondContact SG-NH1 2.68Å; C164-R236 VanDerWaalsContact SG-NH1 3.44Å; V167-R236 HydrophobicContact CG2-CB 4.04Å; V167-R236 VanDerWaalsContact CG2-CD 3.44Å; V167-R236 HydrophobicContact CG2-CG 3.62Å; S232-R236 VanDerWaalsContact O-CG 3.31Å; S232-R236 WeakPolarHBondContact O-CG 3.3Å; S232-R236 PolarHBondContact O-N 3.45Å; S232-R236 VanDerWaalsContact O-N 3.12Å; S232-R236 PolarHBondContact O-NE 3.38Å; S232-R236 PolarHBondContact OG-NH2 3.13Å; L233-R236 PolarHBondContact O-N 3.29Å; R236-T239 PolarHBondContact O-N 2.75Å; R236-V240 WeakPolarHBondContact O-CG2 3.38Å; R236-V240 PolarHBondContact O-N 3.2Å
237I79.4Confident70.1Confident0 Ų053.4 Ų53.40%028%0.276CS..Hα-helixtrans-61.9-46.5176.4-65.9164.1000110.6L161 L190 L193 L197 L233 S234 C235 T239 V240 L241 F265L161-I237 HydrophobicContact CD1-CG1 4.18Å; L190-I237 HydrophobicContact CB-CG2 4.33Å; L193-I237 HydrophobicContact CD2-CD1 3.84Å; L193-I237 HydrophobicContact CG-CD1 4.08Å; L197-I237 HydrophobicContact CD1-CD1 3.98Å; L233-I237 HydrophobicContact CD1-CD1 4.34Å; L233-I237 HydrophobicContact CG-CD1 4.02Å; L233-I237 VanDerWaalsContact O-CG1 3.28Å; L233-I237 WeakPolarHBondContact O-CG1 3.49Å; L233-I237 PolarHBondContact O-N 3.43Å; S234-I237 PolarHBondContact O-N 3.49Å; C235-I237 VanDerWaalsContact C-N 3.35Å; C235-I237 PolarHBondContact O-N 2.96Å; I237-T239 VanDerWaalsContact C-N 3.34Å; I237-T239 PolarHBondContact O-N 2.86Å; I237-V240 PolarHBondContact O-N 3.49Å; I237-L241 HydrophobicContact CG2-CD1 3.76Å; I237-L241 HydrophobicContact CG2-CG 4.21Å; I237-L241 WeakPolarHBondContact O-CB 3.43Å; I237-L241 VanDerWaalsContact O-CG 3.29Å; I237-L241 WeakPolarHBondContact O-CG 3.31Å; I237-L241 PolarHBondContact O-N 3.43Å; I237-F265 HydrophobicContact CB-CE1 4.31Å; I237-F265 HydrophobicContact CB-CZ 4.31Å; I237-F265 HydrophobicContact CG2-CE1 4.08Å; I237-F265 HydrophobicContact CG2-CE2 4.34Å; I237-F265 HydrophobicContact CG2-CZ 3.66Å
238Q79Confident71.6Confident28 Ų2850.4 Ų50.413%0.13126%0.261CS..Hα-helixtrans-57.1-45.9176.7163.4172.7-14.300111.6S234 C235 L241 F242 F265 G267 L268 D271S234-Q238 WeakPolarHBondContact O-CB 3.37Å; S234-Q238 PolarHBondContact O-N 3.12Å; C235-Q238 PolarHBondContact O-N 2.95Å; Q238-L241 PolarHBondContact O-N 2.83Å; Q238-F242 WeakPolarHBondContact O-CB 3.42Å; Q238-F242 PolarHBondContact O-N 3.44Å; Q238-F265 HydrophobicContact CB-CD1 4.04Å; Q238-G267 VanDerWaalsContact NE2-CA 3.32Å; Q238-L268 VanDerWaalsContact CD-N 3.35Å; Q238-L268 HydrophobicContact CG-CB 3.95Å; Q238-L268 HydrophobicContact CG-CD1 4.49Å; Q238-D271 PolarHBondContact NE2-OD2 3.28Å
239T76.8Confident72.8Confident52 Ų5250.9 Ų50.932%0.31927%0.268SS..Hα-helixtrans-65.2-45.2-178.9-53.30000111.6H169 C235 R236 I237 F242 Y243H169-T239 VanDerWaalsContact NE2-CG2 3.3Å; H169-T239 WeakPolarHBondContact NE2-CG2 3.29Å; C235-T239 PolarHBondContact O-N 3.29Å; C235-T239 PolarHBondContact O-OG1 2.89Å; R236-T239 PolarHBondContact O-N 2.75Å; I237-T239 VanDerWaalsContact C-N 3.34Å; I237-T239 PolarHBondContact O-N 2.86Å; T239-F242 WeakPolarHBondContact O-CB 3.28Å; T239-F242 PolarHBondContact O-N 2.75Å; T239-Y243 HydrophobicContact CG2-CD2 3.85Å; T239-Y243 HydrophobicContact CG2-CE2 3.49Å; T239-Y243 VanDerWaalsContact CG2-CE2 3.49Å; T239-Y243 WeakPolarHBondContact O-CD2 3.34Å; T239-Y243 PolarHBondContact O-N 3.01Å
240V80.9Confident73.7Confident1 Ų153.4 Ų53.41%0.00628%0.276CS..Hα-helixtrans-63.3-44.4176.6173.30000111.3L161 V167 L172 L190 R236 I237 F242 Y243 L244L161-V240 HydrophobicContact CD1-CB 4.4Å; L161-V240 HydrophobicContact CD1-CG2 4.24Å; L161-V240 HydrophobicContact CD2-CG2 3.75Å; V167-V240 HydrophobicContact CG1-CG2 4Å; L172-V240 HydrophobicContact CD1-CG1 4.24Å; L172-V240 HydrophobicContact CD1-CG2 3.83Å; L190-V240 HydrophobicContact CD1-CG1 4.11Å; R236-V240 WeakPolarHBondContact O-CG2 3.38Å; R236-V240 PolarHBondContact O-N 3.2Å; I237-V240 PolarHBondContact O-N 3.49Å; V240-F242 VanDerWaalsContact C-N 3.31Å; V240-F242 PolarHBondContact O-N 3.46Å; V240-Y243 PolarHBondContact O-N 3.45Å; V240-L244 HydrophobicContact CG1-CD1 3.95Å; V240-L244 HydrophobicContact CG1-CG 4.21Å; V240-L244 WeakPolarHBondContact O-CB 3.46Å; V240-L244 VanDerWaalsContact O-CG 3.32Å; V240-L244 WeakPolarHBondContact O-CG 3.38Å; V240-L244 PolarHBondContact O-N 3.26Å
241L82.2Confident74.6Confident1 Ų152 Ų521%0.00527%0.265CS..Hα-helixtrans-58.7-42.4175.1-75174.1000111.6V187 L190 I237 Q238 Y243 L244 V245 F265 L268V187-L241 HydrophobicContact CB-CD2 4.48Å; V187-L241 HydrophobicContact CG1-CD2 4.11Å; V187-L241 HydrophobicContact CG2-CD2 4.37Å; L190-L241 HydrophobicContact CB-CD2 4.05Å; L190-L241 HydrophobicContact CB-CG 4.48Å; L190-L241 HydrophobicContact CD1-CD2 3.9Å; L190-L241 HydrophobicContact CD1-CG 4.34Å; I237-L241 HydrophobicContact CG2-CD1 3.76Å; I237-L241 HydrophobicContact CG2-CG 4.21Å; I237-L241 WeakPolarHBondContact O-CB 3.43Å; I237-L241 VanDerWaalsContact O-CG 3.29Å; I237-L241 WeakPolarHBondContact O-CG 3.31Å; I237-L241 PolarHBondContact O-N 3.43Å; Q238-L241 PolarHBondContact O-N 2.83Å; L241-Y243 PolarHBondContact O-N 3.13Å; L241-L244 PolarHBondContact O-N 2.96Å; L241-V245 VanDerWaalsContact O-CG2 3.27Å; L241-V245 WeakPolarHBondContact O-CG2 3.33Å; L241-V245 PolarHBondContact O-N 3.13Å; L241-F265 HydrophobicContact CD1-CD2 4.29Å; L241-F265 HydrophobicContact CD1-CE2 4.2Å; L241-L268 HydrophobicContact CB-CD1 4.33Å; L241-L268 HydrophobicContact CB-CD2 3.85Å; L241-L268 HydrophobicContact CD1-CD2 4.07Å
242F81Confident75.5Confident42 Ų4244.8 Ų44.818%0.18423%0.234CC..Hα-helixtrans-59.3-46.7176.2178.2-102000111.9Q238 T239 V240 V245 K246 L268 D271 I272Q238-F242 WeakPolarHBondContact O-CB 3.42Å; Q238-F242 PolarHBondContact O-N 3.44Å; T239-F242 WeakPolarHBondContact O-CB 3.28Å; T239-F242 PolarHBondContact O-N 2.75Å; V240-F242 VanDerWaalsContact C-N 3.31Å; V240-F242 PolarHBondContact O-N 3.46Å; F242-V245 PolarHBondContact O-N 2.84Å; F242-K246 WeakPolarHBondContact O-CB 3.34Å; F242-K246 PolarHBondContact O-N 3.1Å; F242-L268 HydrophobicContact CB-CD1 3.6Å; F242-L268 HydrophobicContact CD2-CD1 4.27Å; F242-L268 HydrophobicContact CG-CD1 4.45Å; F242-D271 HydrophobicContact CD2-CB 3.81Å; F242-D271 HydrophobicContact CE2-CB 3.87Å; F242-I272 HydrophobicContact CD2-CG1 4.1Å; F242-I272 HydrophobicContact CE2-CG1 4.47Å
243Y77.2Confident76.1Confident89 Ų8945.9 Ų45.935%0.34924%0.238SC..Hα-helixtrans-66.1-40.3177.6-74.9-67000112.3H169 M173 T239 V240 L241 V245 K246 L247H169-Y243 AromaticContact CD2-CD2 3.55Å; H169-Y243 AromaticContact CD2-CE2 3.61Å; M173-Y243 WeakPolarHBondContact CE-O 3.09Å; M173-Y243 WeakPolarHBondContact SD-CB 3.27Å; M173-Y243 HydrophobicContact SD-CG 4.5Å; T239-Y243 HydrophobicContact CG2-CD2 3.85Å; T239-Y243 HydrophobicContact CG2-CE2 3.49Å; T239-Y243 VanDerWaalsContact CG2-CE2 3.49Å; T239-Y243 WeakPolarHBondContact O-CD2 3.34Å; T239-Y243 PolarHBondContact O-N 3.01Å; V240-Y243 PolarHBondContact O-N 3.45Å; L241-Y243 PolarHBondContact O-N 3.13Å; Y243-V245 VanDerWaalsContact C-N 3.33Å; Y243-V245 PolarHBondContact O-N 2.91Å; Y243-K246 WeakPolarHBondContact O-CB 3.48Å; Y243-K246 PolarHBondContact O-N 3.46Å; Y243-K246 VanDerWaalsContact O-N 3.12Å; Y243-L247 PolarHBondContact O-N 3Å; Y243-L247 VanDerWaalsContact O-N 3.16Å
244L78.9Confident76.5Confident1 Ų148.1 Ų48.11%0.00525%0.252CS..Hα-helixtrans-60.9-40.3175.1-72.1176.4000112.1M173 A176 W183 V186 V187 L190 V240 L241 K246 L247M173-L244 HydrophobicContact SD-CD2 4.29Å; A176-L244 HydrophobicContact CB-CD2 3.44Å; A176-L244 VanDerWaalsContact CB-CD2 3.44Å; W183-L244 PolarHBondContact NE1-O 3.18Å; V186-L244 HydrophobicContact CG1-CD1 4.12Å; V187-L244 HydrophobicContact CG2-CD1 4.28Å; L190-L244 HydrophobicContact CD1-CD1 3.86Å; V240-L244 HydrophobicContact CG1-CD1 3.95Å; V240-L244 HydrophobicContact CG1-CG 4.21Å; V240-L244 WeakPolarHBondContact O-CB 3.46Å; V240-L244 VanDerWaalsContact O-CG 3.32Å; V240-L244 WeakPolarHBondContact O-CG 3.38Å; V240-L244 PolarHBondContact O-N 3.26Å; L241-L244 PolarHBondContact O-N 2.96Å; L244-K246 VanDerWaalsContact C-N 3.35Å; L244-L247 WeakPolarHBondContact O-CB 3.22Å; L244-L247 PolarHBondContact O-N 3.36Å
245V79.8Confident76.7Confident0 Ų046.1 Ų46.10%024%0.238CC..Hα-helixtrans-69.2-34.3174.2174.90000111.6L241 F242 Y243 L247 N248 A252 V255 I272 L276L241-V245 VanDerWaalsContact O-CG2 3.27Å; L241-V245 WeakPolarHBondContact O-CG2 3.33Å; L241-V245 PolarHBondContact O-N 3.13Å; F242-V245 PolarHBondContact O-N 2.84Å; Y243-V245 VanDerWaalsContact C-N 3.33Å; Y243-V245 PolarHBondContact O-N 2.91Å; V245-L247 PolarHBondContact O-N 3.23Å; V245-N248 CarbonylContact O-C 3.55Å; V245-N248 PolarHBondContact O-N 2.96Å; V245-N248 VanDerWaalsContact O-O 3.09Å; V245-A252 HydrophobicContact CG1-CB 3.72Å; V245-V255 HydrophobicContact CG2-CB 4.14Å; V245-V255 HydrophobicContact CG2-CG1 3.96Å; V245-V255 HydrophobicContact CG2-CG2 3.78Å; V245-I272 HydrophobicContact CG1-CD1 4.26Å; V245-I272 HydrophobicContact CG1-CG1 4.47Å; V245-L276 HydrophobicContact CG1-CD1 3.82Å
246K75Confident77.1Confident124 Ų12442.7 Ų42.754%0.53922%0.215SC..Hα-helixtrans-62.3-29.1174.7-171177.6178.9-178.10112.4F242 Y243 L244 L276F242-K246 WeakPolarHBondContact O-CB 3.34Å; F242-K246 PolarHBondContact O-N 3.1Å; Y243-K246 WeakPolarHBondContact O-CB 3.48Å; Y243-K246 PolarHBondContact O-N 3.46Å; Y243-K246 VanDerWaalsContact O-N 3.12Å; L244-K246 VanDerWaalsContact C-N 3.35Å; K246-L276 HydrophobicContact CG-CD2 4.47Å
247L72.1Confident77.4Confident76 Ų7643.9 Ų43.940%0.39822%0.222SC..Hα-helixtrans-69.8-34.6171.9-69.9173.7000112.8M173 A176 V177 Y243 L244 V245M173-L247 HydrophobicContact CE-CB 4.49Å; M173-L247 HydrophobicContact CE-CD1 3.17Å; M173-L247 HydrophobicContact CE-CD2 3.85Å; M173-L247 HydrophobicContact CE-CG 3.21Å; M173-L247 HydrophobicContact SD-CD1 4.37Å; A176-L247 HydrophobicContact CB-CD1 4.2Å; V177-L247 HydrophobicContact CG2-CD1 3.85Å; V177-L247 HydrophobicContact CG2-CD2 3.84Å; Y243-L247 PolarHBondContact O-N 3Å; Y243-L247 VanDerWaalsContact O-N 3.16Å; L244-L247 WeakPolarHBondContact O-CB 3.22Å; L244-L247 PolarHBondContact O-N 3.36Å; V245-L247 PolarHBondContact O-N 3.23Å
248N72.2Confident77.5Confident53 Ų5346.2 Ų46.228%0.28324%0.235SC..  trans-127.380.5179-165.57.3000112W183 V245 H250 D251W183-N248 HydrophobicContact CZ2-CB 4.33Å; V245-N248 CarbonylContact O-C 3.55Å; V245-N248 PolarHBondContact O-N 2.96Å; V245-N248 VanDerWaalsContact O-O 3.09Å; N248-H250 PolarHBondContact O-N 3.23Å; N248-H250 VanDerWaalsContact O-N 3.12Å; N248-D251 PolarHBondContact ND2-OD2 3.15Å; N248-D251 PolarHBondContact O-N 2.92Å
249P71.5Confident77.5Confident69 Ų6944.9 Ų44.945%0.44823%0.229SC..G310 helixtrans-66-16.6-175.127-35.5000113.6D251 A252P249-D251 PolarHBondContact O-N 3.4Å; P249-A252 VanDerWaalsContact O-CB 3.23Å; P249-A252 WeakPolarHBondContact O-CB 3.47Å; P249-A252 PolarHBondContact O-N 3.36Å
250H72.6Confident77.7Confident162 Ų16242.9 Ų42.975%0.7522%0.216SC*.G310 helixtrans-63.7-31.3176.8-69.8-67.6000112.5N248 A252N248-H250 PolarHBondContact O-N 3.23Å; N248-H250 VanDerWaalsContact O-N 3.12Å; H250-A252 VanDerWaalsContact C-N 3.34Å
251D74.9Confident77.7Confident35 Ų3547.3 Ų47.319%0.18724%0.243CC..G310 helixtrans-89.42.3178.6-69-37.2000112.9W183 N248 P249 V253 T254 V255W183-D251 HydrophobicContact CH2-CB 3.59Å; W183-D251 HydrophobicContact CZ3-CB 4.05Å; W183-D251 WeakPolarHBondContact CZ3-OD2 3.48Å; N248-D251 PolarHBondContact ND2-OD2 3.15Å; N248-D251 PolarHBondContact O-N 2.92Å; P249-D251 PolarHBondContact O-N 3.4Å; D251-V253 VanDerWaalsContact C-N 3.26Å; D251-V253 PolarHBondContact O-N 2.95Å; D251-T254 WeakPolarHBondContact CA-OG1 3.47Å; D251-T254 PolarHBondContact O-N 3.28Å; D251-T254 VanDerWaalsContact O-N 3.17Å; D251-T254 PolarHBondContact O-OG1 2.99Å; D251-V255 WeakPolarHBondContact O-CG2 3.34Å; D251-V255 PolarHBondContact O-N 3.19Å
252A76.1Confident77.6Confident2 Ų250.1 Ų50.12%0.01726%0.26CS..Hα-helixtrans-58.7-38.318000000112.7V245 P249 H250 I256 I272 L276 I277V245-A252 HydrophobicContact CG1-CB 3.72Å; P249-A252 VanDerWaalsContact O-CB 3.23Å; P249-A252 WeakPolarHBondContact O-CB 3.47Å; P249-A252 PolarHBondContact O-N 3.36Å; H250-A252 VanDerWaalsContact C-N 3.34Å; A252-I256 VanDerWaalsContact O-CG1 3.31Å; A252-I256 WeakPolarHBondContact O-CG1 3.38Å; A252-I256 PolarHBondContact O-N 3.37Å; A252-I272 HydrophobicContact CB-CG2 3.85Å; A252-L276 HydrophobicContact CB-CD1 4.38Å; A252-I277 HydrophobicContact CB-CD1 4.42Å
253V79.1Confident77.5Confident68 Ų6853.6 Ų53.641%0.41227%0.272SS..Hα-helixtrans-70.4-41.8177.7-179.80000111D251 V255 I256 E257 I277D251-V253 VanDerWaalsContact C-N 3.26Å; D251-V253 PolarHBondContact O-N 2.95Å; V253-V255 VanDerWaalsContact C-N 3.31Å; V253-V255 PolarHBondContact O-N 3.1Å; V253-I256 PolarHBondContact O-N 3.49Å; V253-E257 WeakPolarHBondContact O-CG 3.44Å; V253-E257 PolarHBondContact O-N 3.09Å; V253-I277 HydrophobicContact CG2-CD1 4.34Å
254T78.8Confident77.5Confident55 Ų5550 Ų5034%0.33726%0.258SS..Hα-helixtrans-65.7-37.917957.80000110.9D251 E257 N258D251-T254 WeakPolarHBondContact CA-OG1 3.47Å; D251-T254 PolarHBondContact O-N 3.28Å; D251-T254 VanDerWaalsContact O-N 3.17Å; D251-T254 PolarHBondContact O-OG1 2.99Å; T254-E257 PolarHBondContact O-N 2.8Å; T254-N258 WeakPolarHBondContact O-CB 3.34Å; T254-N258 VanDerWaalsContact O-CG 3.26Å; T254-N258 PolarHBondContact O-N 3.44Å
255V77.8Confident77.5Confident0 Ų050.4 Ų50.40%026%0.26CS..Hα-helixtrans-64.6-43.4172.6170.70000111.7W191 V245 D251 V253 N258 C259 L268 I272W191-V255 HydrophobicContact CH2-CB 4.39Å; W191-V255 HydrophobicContact CH2-CG2 3.94Å; W191-V255 HydrophobicContact CZ2-CB 4.24Å; W191-V255 HydrophobicContact CZ2-CG1 3.9Å; W191-V255 HydrophobicContact CZ2-CG2 4.15Å; V245-V255 HydrophobicContact CG2-CB 4.14Å; V245-V255 HydrophobicContact CG2-CG1 3.96Å; V245-V255 HydrophobicContact CG2-CG2 3.78Å; D251-V255 WeakPolarHBondContact O-CG2 3.34Å; D251-V255 PolarHBondContact O-N 3.19Å; V253-V255 VanDerWaalsContact C-N 3.31Å; V253-V255 PolarHBondContact O-N 3.1Å; V255-N258 PolarHBondContact O-N 2.89Å; V255-C259 WeakPolarHBondContact O-CB 3.36Å; V255-C259 PolarHBondContact O-N 2.87Å; V255-C259 PolarHBondContact O-SG 2.98Å; V255-L268 HydrophobicContact CG1-CD2 4.24Å; V255-I272 HydrophobicContact CG1-CD1 3.93Å
256I79.7Confident77.5Confident0 Ų051.4 Ų51.40%027%0.266CS..Hα-helixtrans-60.5-47.6174.9-75.2169.3000111.1A252 V253 N258 C259 I260 V269 I272 I277 F286A252-I256 VanDerWaalsContact O-CG1 3.31Å; A252-I256 WeakPolarHBondContact O-CG1 3.38Å; A252-I256 PolarHBondContact O-N 3.37Å; V253-I256 PolarHBondContact O-N 3.49Å; I256-N258 VanDerWaalsContact C-N 3.3Å; I256-N258 PolarHBondContact O-N 3.25Å; I256-C259 PolarHBondContact O-N 2.81Å; I256-I260 HydrophobicContact CG2-CD1 3.6Å; I256-I260 HydrophobicContact CG2-CG1 4.33Å; I256-I260 WeakPolarHBondContact O-CB 3.3Å; I256-I260 VanDerWaalsContact O-CG1 3.25Å; I256-I260 WeakPolarHBondContact O-CG1 3.38Å; I256-I260 PolarHBondContact O-N 3.13Å; I256-V269 HydrophobicContact CG2-CG1 4.36Å; I256-I272 HydrophobicContact CD1-CB 4.14Å; I256-I272 HydrophobicContact CD1-CG2 3.56Å; I256-I272 HydrophobicContact CG1-CB 4.33Å; I256-I272 HydrophobicContact CG1-CD1 4.28Å; I256-I272 HydrophobicContact CG1-CG2 4.03Å; I256-I277 HydrophobicContact CD1-CD1 3.47Å; I256-I277 VanDerWaalsContact CD1-CD1 3.47Å; I256-F286 HydrophobicContact CG2-CE2 3.66Å; I256-F286 HydrophobicContact CG2-CZ 4.09Å
257E81.3Confident77.7Confident63 Ų6345.5 Ų45.529%0.29424%0.241SC..Hα-helixtrans-60.3-41.8177.4-67.8-52.4145.200111.4V253 T254 I260 T261 R289V253-E257 WeakPolarHBondContact O-CG 3.44Å; V253-E257 PolarHBondContact O-N 3.09Å; T254-E257 PolarHBondContact O-N 2.8Å; E257-I260 PolarHBondContact O-N 3.38Å; E257-T261 WeakPolarHBondContact O-CB 3.48Å; E257-T261 VanDerWaalsContact O-CG2 3.25Å; E257-T261 WeakPolarHBondContact O-CG2 3.45Å; E257-T261 PolarHBondContact O-N 3.21Å; E257-T261 PolarHBondContact O-OG1 3.38Å; E257-R289 IonicContact OE1-CZ 3.14Å; E257-R289 IonicContact OE1-NH1 2.86Å; E257-R289 PolarHBondContact OE1-NH1 3.1Å; E257-R289 IonicContact OE1-NH2 3.04Å; E257-R289 PolarHBondContact OE1-NH2 3.06Å; E257-R289 IonicContact OE2-CZ 2.86Å; E257-R289 IonicContact OE2-NH1 2.76Å; E257-R289 IonicContact OE2-NH2 3.73Å
258N80.1Confident78.2Confident50 Ų5041.9 Ų41.927%0.26722%0.222SC..Hα-helixtrans-65.3-40.7176.4-75.1-3.4000111.9W191 T254 V255 I256 I260 T261 T262W191-N258 HydrophobicContact CH2-CB 3.47Å; W191-N258 VanDerWaalsContact CH2-CB 3.47Å; W191-N258 WeakPolarHBondContact CH2-ND2 3.45Å; W191-N258 HydrophobicContact CZ2-CB 3.58Å; W191-N258 HydrophobicContact CZ3-CB 4.14Å; W191-N258 VanDerWaalsContact CZ3-ND2 3.32Å; W191-N258 WeakPolarHBondContact CZ3-ND2 3.25Å; T254-N258 WeakPolarHBondContact O-CB 3.34Å; T254-N258 VanDerWaalsContact O-CG 3.26Å; T254-N258 PolarHBondContact O-N 3.44Å; V255-N258 PolarHBondContact O-N 2.89Å; I256-N258 VanDerWaalsContact C-N 3.3Å; I256-N258 PolarHBondContact O-N 3.25Å; N258-I260 VanDerWaalsContact C-N 3.35Å; N258-I260 PolarHBondContact O-N 2.68Å; N258-T261 WeakPolarHBondContact CA-OG1 3.25Å; N258-T261 PolarHBondContact O-N 2.82Å; N258-T261 PolarHBondContact O-OG1 3.43Å; N258-T262 VanDerWaalsContact O-CB 3.29Å; N258-T262 WeakPolarHBondContact O-CB 3.34Å; N258-T262 VanDerWaalsContact O-CG2 3.27Å; N258-T262 WeakPolarHBondContact O-CG2 3.35Å; N258-T262 PolarHBondContact O-N 3.2Å; N258-T262 PolarHBondContact O-OG1 2.84Å
259C80.4Confident78.7Confident0 Ų039.3 Ų39.30%021%0.208CC..Hα-helixtrans-65.2-38.3175.7-67.30000112V255 I256 T262 R263 Q264 V269V255-C259 WeakPolarHBondContact O-CB 3.36Å; V255-C259 PolarHBondContact O-N 2.87Å; V255-C259 PolarHBondContact O-SG 2.98Å; I256-C259 PolarHBondContact O-N 2.81Å; C259-T262 PolarHBondContact O-OG1 3.27Å; C259-R263 VanDerWaalsContact O-CA 3.28Å; C259-R263 WeakPolarHBondContact O-CA 3.29Å; C259-R263 PolarHBondContact O-N 3.36Å; C259-Q264 WeakPolarHBondContact CB-O 3.32Å; C259-Q264 PolarHBondContact O-N 3.11Å; C259-V269 HydrophobicContact CB-CG2 3.44Å; C259-V269 VanDerWaalsContact CB-CG2 3.44Å
260I81.5Confident79.2Confident10 Ų1036.1 Ų36.15%0.05119%0.187CC..Hα-helixtrans-68.5-45.7176.8-68.7168000110.9I256 E257 N258 R263 F286 I290 I298 W301I256-I260 HydrophobicContact CG2-CD1 3.6Å; I256-I260 HydrophobicContact CG2-CG1 4.33Å; I256-I260 WeakPolarHBondContact O-CB 3.3Å; I256-I260 VanDerWaalsContact O-CG1 3.25Å; I256-I260 WeakPolarHBondContact O-CG1 3.38Å; I256-I260 PolarHBondContact O-N 3.13Å; E257-I260 PolarHBondContact O-N 3.38Å; N258-I260 VanDerWaalsContact C-N 3.35Å; N258-I260 PolarHBondContact O-N 2.68Å; I260-R263 PolarHBondContact O-N 3.48Å; I260-F286 HydrophobicContact CD1-CE2 3.88Å; I260-F286 HydrophobicContact CD1-CZ 4.11Å; I260-I290 HydrophobicContact CD1-CD1 4.1Å; I260-I290 HydrophobicContact CD1-CG1 4.36Å; I260-I290 HydrophobicContact CG1-CD1 4.39Å; I260-I298 HydrophobicContact CG2-CD1 3.77Å; I260-I298 HydrophobicContact CG2-CG1 4.38Å; I260-I298 HydrophobicContact CG2-CG2 3.95Å; I260-W301 HydrophobicContact CG1-CZ3 4.4Å
261T80.8Confident79.5Confident94 Ų9430.1 Ų30.158%0.57716%0.161SC*.Hα-helixtrans-68.2-38.1-179.852.30000112.2E257 N258E257-T261 WeakPolarHBondContact O-CB 3.48Å; E257-T261 VanDerWaalsContact O-CG2 3.25Å; E257-T261 WeakPolarHBondContact O-CG2 3.45Å; E257-T261 PolarHBondContact O-N 3.21Å; E257-T261 PolarHBondContact O-OG1 3.38Å; N258-T261 WeakPolarHBondContact CA-OG1 3.25Å; N258-T261 PolarHBondContact O-N 2.82Å; N258-T261 PolarHBondContact O-OG1 3.43Å
262T78.9Confident79.8Confident59 Ų5928.5 Ų28.536%0.36215%0.152SC..Hα-helixtrans-80.9-16.3175.659.20000113.3N258 C259N258-T262 VanDerWaalsContact O-CB 3.29Å; N258-T262 WeakPolarHBondContact O-CB 3.34Å; N258-T262 VanDerWaalsContact O-CG2 3.27Å; N258-T262 WeakPolarHBondContact O-CG2 3.35Å; N258-T262 PolarHBondContact O-N 3.2Å; N258-T262 PolarHBondContact O-OG1 2.84Å; C259-T262 PolarHBondContact O-OG1 3.27Å
263R79.5Confident80Confident116 Ų11628.4 Ų28.444%0.43815%0.151SC..THydrogen-bonded Turntrans58.446-174.8-59.3171.7-74-169.9-5.6112.2C259 I260 D297 I298 W301C259-R263 VanDerWaalsContact O-CA 3.28Å; C259-R263 WeakPolarHBondContact O-CA 3.29Å; C259-R263 PolarHBondContact O-N 3.36Å; I260-R263 PolarHBondContact O-N 3.48Å; R263-D297 IonicContact NH1-OD2 3.13Å; R263-D297 PolarHBondContact NH1-OD2 3.43Å; R263-I298 HydrophobicContact CG-CG1 4.37Å; R263-W301 VanDerWaalsContact C-CE2 3.48Å; R263-W301 VanDerWaalsContact C-NE1 3.3Å; R263-W301 HydrophobicContact CB-CB 4.49Å; R263-W301 HydrophobicContact CB-CD2 4.17Å; R263-W301 HydrophobicContact CB-CG 4Å; R263-W301 PolarHBondContact O-NE1 3.43Å
264Q77.5Confident79.9Confident12 Ų1226.8 Ų26.86%0.05614%0.139CC..  trans-126.9151-176.1-67.5178.4-1.900111.8K195 T198 C259 W301K195-Q264 VanDerWaalsContact CB-NE2 3.26Å; T198-Q264 HydrophobicContact CG2-CG 4.49Å; T198-Q264 PolarHBondContact OG1-NE2 3.5Å; C259-Q264 WeakPolarHBondContact CB-O 3.32Å; C259-Q264 PolarHBondContact O-N 3.11Å; Q264-W301 WeakPolarHBondContact O-CZ2 3.3Å
265F78.5Confident79.6Confident11 Ų1126.6 Ų26.65%0.04815%0.148CC..  trans51.259.8176.6-49.9-68.9000114.5S234 I237 Q238 L241 G267 L268 V269S234-F265 WeakPolarHBondContact OG-CE1 3.42Å; I237-F265 HydrophobicContact CB-CE1 4.31Å; I237-F265 HydrophobicContact CB-CZ 4.31Å; I237-F265 HydrophobicContact CG2-CE1 4.08Å; I237-F265 HydrophobicContact CG2-CE2 4.34Å; I237-F265 HydrophobicContact CG2-CZ 3.66Å; Q238-F265 HydrophobicContact CB-CD1 4.04Å; L241-F265 HydrophobicContact CD1-CD2 4.29Å; L241-F265 HydrophobicContact CD1-CE2 4.2Å; F265-G267 PolarHBondContact O-N 3.11Å; F265-L268 HydrophobicContact CB-CB 3.7Å; F265-L268 HydrophobicContact CB-CD2 4.25Å; F265-L268 VanDerWaalsContact O-CB 3.31Å; F265-L268 WeakPolarHBondContact O-CB 3.07Å; F265-L268 PolarHBondContact O-N 3.38Å; F265-V269 PolarHBondContact O-N 3.48Å
266P80.2Confident79.1Confident20 Ų2029.4 Ų29.413%0.1316%0.163CC..Hα-helixtrans-59.8-30.9178.324.8-34.9000113V269 L270 W301 M302 F305P266-V269 PolarHBondContact O-N 3.16Å; P266-L270 PolarHBondContact O-N 3.22Å; P266-W301 HydrophobicContact CB-CH2 4.16Å; P266-W301 HydrophobicContact CB-CZ2 3.56Å; P266-W301 HydrophobicContact CG-CZ2 4.16Å; P266-M302 HydrophobicContact CB-CE 4.44Å; P266-M302 HydrophobicContact CB-SD 4.34Å; P266-F305 HydrophobicContact CB-CB 3.73Å; P266-F305 HydrophobicContact CB-CD1 3.73Å; P266-F305 HydrophobicContact CB-CD2 3.95Å; P266-F305 HydrophobicContact CB-CE1 4.34Å; P266-F305 HydrophobicContact CB-CE2 4.48Å; P266-F305 HydrophobicContact CB-CG 3.5Å; P266-F305 VanDerWaalsContact CB-CG 3.5Å; P266-F305 HydrophobicContact CG-CB 3.61Å; P266-F305 HydrophobicContact CG-CD1 4.03Å; P266-F305 HydrophobicContact CG-CD2 3.27Å; P266-F305 HydrophobicContact CG-CE2 3.86Å; P266-F305 HydrophobicContact CG-CG 3.33Å; P266-F305 HydrophobicContact CG-CZ 4.46Å
267G79.1Confident78.4Confident0 Ų030.7 Ų30.70%017%0.169CC..Hα-helixtrans-62.3-44.6172.200000112.2Q238 F265 V269 L270 D271Q238-G267 VanDerWaalsContact NE2-CA 3.32Å; F265-G267 PolarHBondContact O-N 3.11Å; G267-V269 VanDerWaalsContact C-N 3.26Å; G267-V269 PolarHBondContact O-N 2.86Å; G267-L270 PolarHBondContact O-N 3.49Å; G267-L270 VanDerWaalsContact O-N 3.1Å; G267-D271 WeakPolarHBondContact O-CB 3.45Å; G267-D271 PolarHBondContact O-N 3.35Å
268L81.6Confident77.7Confident0 Ų033.3 Ų33.30%019%0.185CC..Hα-helixtrans-57.3-42.6177.5-178.762000111Q238 L241 F242 V255 F265 L270 D271 I272Q238-L268 VanDerWaalsContact CD-N 3.35Å; Q238-L268 HydrophobicContact CG-CB 3.95Å; Q238-L268 HydrophobicContact CG-CD1 4.49Å; L241-L268 HydrophobicContact CB-CD1 4.33Å; L241-L268 HydrophobicContact CB-CD2 3.85Å; L241-L268 HydrophobicContact CD1-CD2 4.07Å; F242-L268 HydrophobicContact CB-CD1 3.6Å; F242-L268 HydrophobicContact CD2-CD1 4.27Å; F242-L268 HydrophobicContact CG-CD1 4.45Å; V255-L268 HydrophobicContact CG1-CD2 4.24Å; F265-L268 HydrophobicContact CB-CB 3.7Å; F265-L268 HydrophobicContact CB-CD2 4.25Å; F265-L268 VanDerWaalsContact O-CB 3.31Å; F265-L268 WeakPolarHBondContact O-CB 3.07Å; F265-L268 PolarHBondContact O-N 3.38Å; L268-L270 VanDerWaalsContact C-N 3.34Å; L268-L270 PolarHBondContact O-N 3.43Å; L268-D271 PolarHBondContact O-N 3.08Å; L268-I272 HydrophobicContact CD1-CD1 3.92Å; L268-I272 HydrophobicContact CD1-CG1 4.15Å; L268-I272 HydrophobicContact CD2-CD1 4.47Å; L268-I272 HydrophobicContact CG-CD1 3.78Å; L268-I272 HydrophobicContact CG-CG1 4.39Å; L268-I272 WeakPolarHBondContact O-CB 3.42Å; L268-I272 WeakPolarHBondContact O-CG1 3.36Å; L268-I272 PolarHBondContact O-N 3.45Å
269V83.2Confident76.9Confident0 Ų038.7 Ų38.70%021%0.206CC..Hα-helixtrans-61.1-43.1179172.20000111.5I256 C259 F265 P266 G267 L273 F286 W301 M302I256-V269 HydrophobicContact CG2-CG1 4.36Å; C259-V269 HydrophobicContact CB-CG2 3.44Å; C259-V269 VanDerWaalsContact CB-CG2 3.44Å; F265-V269 PolarHBondContact O-N 3.48Å; P266-V269 PolarHBondContact O-N 3.16Å; G267-V269 VanDerWaalsContact C-N 3.26Å; G267-V269 PolarHBondContact O-N 2.86Å; V269-L273 VanDerWaalsContact O-CB 3.28Å; V269-L273 WeakPolarHBondContact O-CB 3.23Å; V269-L273 PolarHBondContact O-N 3.38Å; V269-L273 VanDerWaalsContact O-N 3.07Å; V269-F286 HydrophobicContact CG1-CE1 3.96Å; V269-F286 HydrophobicContact CG1-CE2 4.48Å; V269-F286 HydrophobicContact CG1-CZ 3.41Å; V269-F286 VanDerWaalsContact CG1-CZ 3.41Å; V269-W301 HydrophobicContact CG2-CH2 4.22Å; V269-M302 HydrophobicContact CG1-CE 4.26Å
270L82.4Confident76Confident2 Ų246.3 Ų46.31%0.0124%0.242CC..Hα-helixtrans-73.3-37.8177.5-67.5169.6000112P266 G267 L268 L273 F274 M302 F305 L306 Y314P266-L270 PolarHBondContact O-N 3.22Å; G267-L270 PolarHBondContact O-N 3.49Å; G267-L270 VanDerWaalsContact O-N 3.1Å; L268-L270 VanDerWaalsContact C-N 3.34Å; L268-L270 PolarHBondContact O-N 3.43Å; L270-L273 PolarHBondContact O-N 2.89Å; L270-F274 HydrophobicContact CB-CD2 4.4Å; L270-F274 HydrophobicContact CB-CE2 4.39Å; L270-F274 HydrophobicContact CD2-CE2 4.39Å; L270-F274 WeakPolarHBondContact O-CD2 3.17Å; L270-F274 PolarHBondContact O-N 2.84Å; L270-M302 HydrophobicContact CD1-SD 4.39Å; L270-F305 HydrophobicContact CD1-CD1 4.11Å; L270-F305 HydrophobicContact CD1-CE1 3.75Å; L270-L306 HydrophobicContact CD1-CD2 3.87Å; L270-Y314 HydrophobicContact CB-CD1 3.62Å; L270-Y314 HydrophobicContact CB-CE1 3.64Å; L270-Y314 HydrophobicContact CB-CG 4.37Å; L270-Y314 HydrophobicContact CD1-CD1 4.03Å; L270-Y314 HydrophobicContact CD1-CD2 4.35Å; L270-Y314 HydrophobicContact CD1-CG 3.93Å; L270-Y314 HydrophobicContact CG-CD1 4.43Å
271D79.3Confident75.3Confident36 Ų3647.2 Ų47.219%0.19325%0.253CS..Hα-helixtrans-60.9-44.8175.4-66.8-27.6000111.2Q238 F242 G267 L268 G275 Y314Q238-D271 PolarHBondContact NE2-OD2 3.28Å; F242-D271 HydrophobicContact CD2-CB 3.81Å; F242-D271 HydrophobicContact CE2-CB 3.87Å; G267-D271 WeakPolarHBondContact O-CB 3.45Å; G267-D271 PolarHBondContact O-N 3.35Å; L268-D271 PolarHBondContact O-N 3.08Å; D271-G275 WeakPolarHBondContact O-CA 3.35Å; D271-G275 PolarHBondContact O-N 3.33Å; D271-Y314 VanDerWaalsContact CG-OH 3.26Å; D271-Y314 WeakPolarHBondContact OD1-CE1 3.33Å; D271-Y314 VanDerWaalsContact OD1-CZ 3.29Å; D271-Y314 PolarHBondContact OD1-OH 2.79Å; D271-Y314 PolarHBondContact OD2-OH 2.9Å
272I80Confident74.9Confident0 Ų046.1 Ų46.10%024%0.239CC..Hα-helixtrans-65.2-41.8175.6-65.5168.1000110.4F242 V245 A252 V255 I256 L268 L276 I277F242-I272 HydrophobicContact CD2-CG1 4.1Å; F242-I272 HydrophobicContact CE2-CG1 4.47Å; V245-I272 HydrophobicContact CG1-CD1 4.26Å; V245-I272 HydrophobicContact CG1-CG1 4.47Å; A252-I272 HydrophobicContact CB-CG2 3.85Å; V255-I272 HydrophobicContact CG1-CD1 3.93Å; I256-I272 HydrophobicContact CD1-CB 4.14Å; I256-I272 HydrophobicContact CD1-CG2 3.56Å; I256-I272 HydrophobicContact CG1-CB 4.33Å; I256-I272 HydrophobicContact CG1-CD1 4.28Å; I256-I272 HydrophobicContact CG1-CG2 4.03Å; L268-I272 HydrophobicContact CD1-CD1 3.92Å; L268-I272 HydrophobicContact CD1-CG1 4.15Å; L268-I272 HydrophobicContact CD2-CD1 4.47Å; L268-I272 HydrophobicContact CG-CD1 3.78Å; L268-I272 HydrophobicContact CG-CG1 4.39Å; L268-I272 WeakPolarHBondContact O-CB 3.42Å; L268-I272 WeakPolarHBondContact O-CG1 3.36Å; L268-I272 PolarHBondContact O-N 3.45Å; I272-L276 HydrophobicContact CG2-CB 4.4Å; I272-L276 HydrophobicContact CG2-CD1 4.26Å; I272-L276 PolarHBondContact O-N 2.78Å; I272-I277 HydrophobicContact CG2-CD1 3.94Å; I272-I277 HydrophobicContact CG2-CG1 4.27Å; I272-I277 PolarHBondContact O-N 3.18Å
273L79.7Confident74.9Confident1 Ų143.4 Ų43.41%0.00522%0.223CC..Hα-helixtrans-63.4-45.7-179.4-178.6140000112.3V269 L270 T283 F286V269-L273 VanDerWaalsContact O-CB 3.28Å; V269-L273 WeakPolarHBondContact O-CB 3.23Å; V269-L273 PolarHBondContact O-N 3.38Å; V269-L273 VanDerWaalsContact O-N 3.07Å; L270-L273 PolarHBondContact O-N 2.89Å; L273-T283 HydrophobicContact CD2-CG2 3.72Å; L273-F286 HydrophobicContact CD1-CB 3.89Å; L273-F286 HydrophobicContact CD1-CD1 3.08Å; L273-F286 HydrophobicContact CD1-CD2 4.19Å; L273-F286 HydrophobicContact CD1-CE1 3.49Å; L273-F286 VanDerWaalsContact CD1-CE1 3.49Å; L273-F286 HydrophobicContact CD1-CG 3.45Å; L273-F286 VanDerWaalsContact CD1-CG 3.45Å; L273-F286 HydrophobicContact CD1-CZ 4.19Å
274F77.4Confident75.1Confident34 Ų3438.3 Ų38.315%0.14920%0.204CC..Hα-helixtrans-77.6-34.6177.8-71.2-61.2000112.9L270 W313 Y314 N317 L318L270-F274 HydrophobicContact CB-CD2 4.4Å; L270-F274 HydrophobicContact CB-CE2 4.39Å; L270-F274 HydrophobicContact CD2-CE2 4.39Å; L270-F274 WeakPolarHBondContact O-CD2 3.17Å; L270-F274 PolarHBondContact O-N 2.84Å; F274-W313 HydrophobicContact CD2-CZ3 4.49Å; F274-Y314 HydrophobicContact CD2-CD1 4.16Å; F274-Y314 HydrophobicContact CE2-CD1 4.05Å; F274-N317 HydrophobicContact CE1-CB 4.03Å; F274-N317 HydrophobicContact CE2-CB 4.38Å; F274-N317 HydrophobicContact CZ-CB 3.93Å; F274-L318 HydrophobicContact CE1-CD2 4.43Å; F274-L318 HydrophobicContact CZ-CD2 3.7Å; F274-L318 HydrophobicContact CZ-CG 3.87Å
275G72.1Confident75.3Confident51 Ų5142.4 Ų42.453%0.52623%0.226SC..Hα-helixtrans-85.1-42.6-172.700000115.1D271D271-G275 WeakPolarHBondContact O-CA 3.35Å; D271-G275 PolarHBondContact O-N 3.33Å
276L67.8Low75.5Confident59 Ų5942.1 Ų42.131%0.30923%0.225SC..THydrogen-bonded Turntrans-112.5-35-169.5-67.6171.7000113.4V245 K246 A252 I272V245-L276 HydrophobicContact CG1-CD1 3.82Å; K246-L276 HydrophobicContact CG-CD2 4.47Å; A252-L276 HydrophobicContact CB-CD1 4.38Å; I272-L276 HydrophobicContact CG2-CB 4.4Å; I272-L276 HydrophobicContact CG2-CD1 4.26Å; I272-L276 PolarHBondContact O-N 2.78Å
277I65.8Low75.7Confident26 Ų2641.3 Ų41.313%0.13322%0.22CC..  trans-105.932-170.7-44.5175.4000111.2A252 V253 I256 I272 K279 Y282A252-I277 HydrophobicContact CB-CD1 4.42Å; V253-I277 HydrophobicContact CG2-CD1 4.34Å; I256-I277 HydrophobicContact CD1-CD1 3.47Å; I256-I277 VanDerWaalsContact CD1-CD1 3.47Å; I272-I277 HydrophobicContact CG2-CD1 3.94Å; I272-I277 HydrophobicContact CG2-CG1 4.27Å; I272-I277 PolarHBondContact O-N 3.18Å; I277-K279 PolarHBondContact O-N 2.89Å; I277-Y282 HydrophobicContact CB-CD1 4.43Å; I277-Y282 HydrophobicContact CD1-CE1 4.41Å; I277-Y282 HydrophobicContact CG2-CD1 3.62Å; I277-Y282 HydrophobicContact CG2-CE1 3.75Å; I277-Y282 HydrophobicContact CG2-CG 4.03Å
278N65.4Low76Confident119 Ų11944.3 Ų44.364%0.63623%0.233SC*.  trans-70.150.9-171.7-156.910.2000114.4
279K63.8Low76.1Confident162 Ų16248.1 Ų48.170%0.70425%0.247SC*.  trans-89.8122.9172.9-69.6-170.4177.8-178.30109I277 G281 Y282I277-K279 PolarHBondContact O-N 2.89Å; K279-G281 PolarHBondContact O-N 2.88Å; K279-G281 VanDerWaalsContact O-N 3.17Å; K279-Y282 PolarHBondContact O-N 2.89Å
280E61.9Low76.2Confident160 Ų16048.2 Ų48.275%0.74825%0.248SC*.THydrogen-bonded Turntrans-53120.6176.9-59.7-169.3150.300110.1K324E280-K324 IonicContact OE1-NZ 2.66Å; E280-K324 PolarHBondContact OE1-NZ 2.94Å
281G66Low76.2Confident29 Ų2948.1 Ų48.130%0.29925%0.247SC..THydrogen-bonded Turntrans101.5-26.5-178.700000116K279 T283 L284 N285K279-G281 PolarHBondContact O-N 2.88Å; K279-G281 VanDerWaalsContact O-N 3.17Å; G281-T283 VanDerWaalsContact C-N 3.32Å; G281-T283 PolarHBondContact O-N 2.93Å; G281-L284 PolarHBondContact O-N 3.33Å; G281-N285 PolarHBondContact O-N 3.26Å
282Y74Confident76.3Confident71 Ų7148.1 Ų48.128%0.27825%0.247SC..Hα-helixtrans-63.1-41.8177.7-172.5-96.5000111I277 K279 L284 N285 F286I277-Y282 HydrophobicContact CB-CD1 4.43Å; I277-Y282 HydrophobicContact CD1-CE1 4.41Å; I277-Y282 HydrophobicContact CG2-CD1 3.62Å; I277-Y282 HydrophobicContact CG2-CE1 3.75Å; I277-Y282 HydrophobicContact CG2-CG 4.03Å; K279-Y282 PolarHBondContact O-N 2.89Å; Y282-L284 PolarHBondContact O-N 3.22Å; Y282-N285 PolarHBondContact O-N 3.03Å; Y282-F286 HydrophobicContact CD1-CB 4.41Å; Y282-F286 HydrophobicContact CE1-CB 4.32Å; Y282-F286 HydrophobicContact CE1-CD2 4.23Å; Y282-F286 WeakPolarHBondContact O-CB 3.5Å; Y282-F286 PolarHBondContact O-N 3.34Å
283T78.8Confident76.4Confident2 Ų253 Ų531%0.01227%0.273CS..Hα-helixtrans-57-44.8177.8-52.50000112.9L273 G281 F286 L287 L318L273-T283 HydrophobicContact CD2-CG2 3.72Å; G281-T283 VanDerWaalsContact C-N 3.32Å; G281-T283 PolarHBondContact O-N 2.93Å; T283-F286 PolarHBondContact O-N 3.06Å; T283-L287 HydrophobicContact CG2-CD1 4.15Å; T283-L287 WeakPolarHBondContact O-CB 3.34Å; T283-L287 VanDerWaalsContact O-CG 3.25Å; T283-L287 WeakPolarHBondContact O-CG 3.45Å; T283-L287 PolarHBondContact O-N 3.31Å; T283-L318 HydrophobicContact CG2-CD2 4.27Å
284L82.2Confident76.2Confident10 Ų1054.7 Ų54.75%0.05229%0.285CS..Hα-helixtrans-67.1-44.7-179.5-179.963.3000111.3G281 Y282 F286 L287 K288 I325 L349 V352G281-L284 PolarHBondContact O-N 3.33Å; Y282-L284 PolarHBondContact O-N 3.22Å; L284-F286 VanDerWaalsContact C-N 3.31Å; L284-F286 PolarHBondContact O-N 2.9Å; L284-L287 PolarHBondContact O-N 3.24Å; L284-K288 WeakPolarHBondContact O-CB 3.33Å; L284-K288 PolarHBondContact O-N 3.07Å; L284-I325 HydrophobicContact CB-CD1 4.18Å; L284-I325 HydrophobicContact CD2-CD1 4.38Å; L284-L349 HydrophobicContact CD1-CB 4.43Å; L284-L349 HydrophobicContact CD1-CD1 4.12Å; L284-L349 HydrophobicContact CD2-CB 4.4Å; L284-V352 HydrophobicContact CD1-CB 4.24Å; L284-V352 HydrophobicContact CD1-CG1 4.49Å; L284-V352 HydrophobicContact CD1-CG2 4.05Å
285N82.7Confident76.4Confident97 Ų9754.7 Ų54.752%0.51929%0.294SS..Hα-helixtrans-66.8-34.9177.8-73.1-25.8000112G281 Y282 K288 R289G281-N285 PolarHBondContact O-N 3.26Å; Y282-N285 PolarHBondContact O-N 3.03Å; N285-K288 WeakPolarHBondContact O-CB 3.39Å; N285-K288 PolarHBondContact O-N 3.27Å; N285-R289 WeakPolarHBondContact O-CB 3.4Å; N285-R289 PolarHBondContact O-N 3.46Å
286F82.7Confident76.9Confident5 Ų559.6 Ų59.62%0.02230%0.304CS..Hα-helixtrans-65-47.3174.6179.7-97.8000111.9I256 I260 V269 L273 Y282 T283 L284 K288 R289 I290I256-F286 HydrophobicContact CG2-CE2 3.66Å; I256-F286 HydrophobicContact CG2-CZ 4.09Å; I260-F286 HydrophobicContact CD1-CE2 3.88Å; I260-F286 HydrophobicContact CD1-CZ 4.11Å; V269-F286 HydrophobicContact CG1-CE1 3.96Å; V269-F286 HydrophobicContact CG1-CE2 4.48Å; V269-F286 HydrophobicContact CG1-CZ 3.41Å; V269-F286 VanDerWaalsContact CG1-CZ 3.41Å; L273-F286 HydrophobicContact CD1-CB 3.89Å; L273-F286 HydrophobicContact CD1-CD1 3.08Å; L273-F286 HydrophobicContact CD1-CD2 4.19Å; L273-F286 HydrophobicContact CD1-CE1 3.49Å; L273-F286 VanDerWaalsContact CD1-CE1 3.49Å; L273-F286 HydrophobicContact CD1-CG 3.45Å; L273-F286 VanDerWaalsContact CD1-CG 3.45Å; L273-F286 HydrophobicContact CD1-CZ 4.19Å; Y282-F286 HydrophobicContact CD1-CB 4.41Å; Y282-F286 HydrophobicContact CE1-CB 4.32Å; Y282-F286 HydrophobicContact CE1-CD2 4.23Å; Y282-F286 WeakPolarHBondContact O-CB 3.5Å; Y282-F286 PolarHBondContact O-N 3.34Å; T283-F286 PolarHBondContact O-N 3.06Å; L284-F286 VanDerWaalsContact C-N 3.31Å; L284-F286 PolarHBondContact O-N 2.9Å; F286-K288 VanDerWaalsContact C-N 3.31Å; F286-K288 PolarHBondContact O-N 3.01Å; F286-R289 WeakPolarHBondContact O-CB 3.12Å; F286-R289 PolarHBondContact O-N 2.89Å; F286-R289 VanDerWaalsContact O-N 3.14Å; F286-I290 HydrophobicContact CD1-CD1 4.02Å; F286-I290 HydrophobicContact CE1-CD1 3.25Å; F286-I290 HydrophobicContact CE1-CG1 4.19Å; F286-I290 HydrophobicContact CE2-CD1 3.92Å; F286-I290 HydrophobicContact CE2-CG1 4.42Å; F286-I290 HydrophobicContact CZ-CD1 3.19Å; F286-I290 HydrophobicContact CZ-CG1 4.12Å; F286-I290 PolarHBondContact O-N 3.21Å
287L84.3Confident77.5Confident4 Ų461.2 Ų61.22%0.02131%0.313CS..Hα-helixtrans-63.5-38.6175.9-70.2171.5000111.9T283 L284 I290 L291 L318 F322 V352 F356T283-L287 HydrophobicContact CG2-CD1 4.15Å; T283-L287 WeakPolarHBondContact O-CB 3.34Å; T283-L287 VanDerWaalsContact O-CG 3.25Å; T283-L287 WeakPolarHBondContact O-CG 3.45Å; T283-L287 PolarHBondContact O-N 3.31Å; L284-L287 PolarHBondContact O-N 3.24Å; L287-I290 PolarHBondContact O-N 3.41Å; L287-L291 VanDerWaalsContact O-CB 3.32Å; L287-L291 WeakPolarHBondContact O-CB 3.3Å; L287-L291 WeakPolarHBondContact O-CG 3.48Å; L287-L291 PolarHBondContact O-N 2.83Å; L287-L318 HydrophobicContact CD1-CD2 3.79Å; L287-F322 HydrophobicContact CD1-CE1 3.91Å; L287-F322 HydrophobicContact CD1-CZ 3.8Å; L287-V352 HydrophobicContact CB-CG1 3.89Å; L287-V352 HydrophobicContact CB-CG2 4.37Å; L287-V352 HydrophobicContact CD1-CG1 4.28Å; L287-F356 HydrophobicContact CD1-CE2 4.08Å; L287-F356 HydrophobicContact CD1-CZ 4.24Å; L287-F356 HydrophobicContact CD2-CE2 3.97Å; L287-F356 HydrophobicContact CD2-CZ 3.89Å; L287-F356 HydrophobicContact CG-CE2 4.42Å
288K85.5Confident78.3Confident63 Ų6361.4 Ų61.427%0.27431%0.314SS..Hα-helixtrans-58-49.2171.1-174.5-158.7167.1-171.90110.5L284 N285 F286 I290 L292 D293 T348 V352L284-K288 WeakPolarHBondContact O-CB 3.33Å; L284-K288 PolarHBondContact O-N 3.07Å; N285-K288 WeakPolarHBondContact O-CB 3.39Å; N285-K288 PolarHBondContact O-N 3.27Å; F286-K288 VanDerWaalsContact C-N 3.31Å; F286-K288 PolarHBondContact O-N 3.01Å; K288-I290 PolarHBondContact O-N 3.41Å; K288-L292 HydrophobicContact CG-CD1 3.87Å; K288-L292 WeakPolarHBondContact O-CA 3.32Å; K288-L292 VanDerWaalsContact O-CB 3.28Å; K288-L292 WeakPolarHBondContact O-CB 3.47Å; K288-L292 PolarHBondContact O-N 2.65Å; K288-D293 PolarHBondContact O-N 2.82Å; K288-T348 HydrophobicContact CD-CG2 4.04Å; K288-V352 HydrophobicContact CB-CG2 3.97Å
289R84.2Confident79.2Confident80 Ų8058.2 Ų58.230%0.30229%0.293SS..Iπ-helixtrans-58.8-47.7179.7-172.3177.975.1165.47.8111.8E257 N285 F286 D293 S294E257-R289 IonicContact OE1-CZ 3.14Å; E257-R289 IonicContact OE1-NH1 2.86Å; E257-R289 PolarHBondContact OE1-NH1 3.1Å; E257-R289 IonicContact OE1-NH2 3.04Å; E257-R289 PolarHBondContact OE1-NH2 3.06Å; E257-R289 IonicContact OE2-CZ 2.86Å; E257-R289 IonicContact OE2-NH1 2.76Å; E257-R289 IonicContact OE2-NH2 3.73Å; N285-R289 WeakPolarHBondContact O-CB 3.4Å; N285-R289 PolarHBondContact O-N 3.46Å; F286-R289 WeakPolarHBondContact O-CB 3.12Å; F286-R289 PolarHBondContact O-N 2.89Å; F286-R289 VanDerWaalsContact O-N 3.14Å; R289-D293 CarbonylContact O-C 2.99Å; R289-D293 PolarHBondContact O-N 3.04Å; R289-S294 VanDerWaalsContact O-CB 3.29Å; R289-S294 WeakPolarHBondContact O-CB 3.49Å; R289-S294 PolarHBondContact O-N 3.37Å; R289-S294 PolarHBondContact O-OG 3.37Å
290I84Confident80.1Confident1 Ų153.6 Ų53.61%0.00528%0.281CS..Iπ-helixtrans-68.9-48.5-178.6-71-169.9000111.6I260 F286 L287 K288 S294 I298 M302I260-I290 HydrophobicContact CD1-CD1 4.1Å; I260-I290 HydrophobicContact CD1-CG1 4.36Å; I260-I290 HydrophobicContact CG1-CD1 4.39Å; F286-I290 HydrophobicContact CD1-CD1 4.02Å; F286-I290 HydrophobicContact CE1-CD1 3.25Å; F286-I290 HydrophobicContact CE1-CG1 4.19Å; F286-I290 HydrophobicContact CE2-CD1 3.92Å; F286-I290 HydrophobicContact CE2-CG1 4.42Å; F286-I290 HydrophobicContact CZ-CD1 3.19Å; F286-I290 HydrophobicContact CZ-CG1 4.12Å; F286-I290 PolarHBondContact O-N 3.21Å; L287-I290 PolarHBondContact O-N 3.41Å; K288-I290 PolarHBondContact O-N 3.41Å; I290-S294 WeakPolarHBondContact CA-OG 3.47Å; I290-S294 PolarHBondContact O-OG 3.42Å; I290-I298 HydrophobicContact CG2-CG2 4.2Å; I290-M302 HydrophobicContact CD1-CE 3.82Å; I290-M302 HydrophobicContact CG2-CB 3.75Å; I290-M302 HydrophobicContact CG2-CG 3.91Å
291L81.8Confident81.2Confident1 Ų147.5 Ų47.51%0.00525%0.251CS..Iπ-helixtrans-84.4-27.6-170.9-65.7175.9000113.3L287 R299 A355 F356L287-L291 VanDerWaalsContact O-CB 3.32Å; L287-L291 WeakPolarHBondContact O-CB 3.3Å; L287-L291 WeakPolarHBondContact O-CG 3.48Å; L287-L291 PolarHBondContact O-N 2.83Å; L291-R299 HydrophobicContact CD2-CG 4.18Å; L291-R299 VanDerWaalsContact O-CZ 3.22Å; L291-R299 PolarHBondContact O-NE 3.17Å; L291-R299 PolarHBondContact O-NH2 3.26Å; L291-A355 HydrophobicContact CB-CB 4.05Å; L291-A355 HydrophobicContact CD1-CB 4.2Å; L291-F356 HydrophobicContact CD1-CD2 3.39Å; L291-F356 HydrophobicContact CD1-CE2 3.28Å; L291-F356 HydrophobicContact CD1-CG 4.43Å; L291-F356 HydrophobicContact CD1-CZ 4.24Å
292L81.5Confident82.1Confident35 Ų3546.2 Ų46.218%0.18324%0.237CC..Iπ-helixtrans-109.6-46.1-174.7-54179.4000112K288 R299 R351 A355 L502K288-L292 HydrophobicContact CG-CD1 3.87Å; K288-L292 WeakPolarHBondContact O-CA 3.32Å; K288-L292 VanDerWaalsContact O-CB 3.28Å; K288-L292 WeakPolarHBondContact O-CB 3.47Å; K288-L292 PolarHBondContact O-N 2.65Å; L292-R299 PolarHBondContact O-NH2 3.16Å; L292-R351 HydrophobicContact CD1-CB 3.67Å; L292-A355 HydrophobicContact CD2-CB 3.98Å; L292-L502 HydrophobicContact CD2-CD1 4.42Å; L292-L502 HydrophobicContact CD2-CD2 3.75Å; L292-L502 HydrophobicContact CD2-CG 4.45Å
293D81.8Confident82.6Confident103 Ų10343 Ų4355%0.55123%0.225SC*.Iπ-helixtrans-93.9-30.5-164.9-53.5-31.9000113.6K288 R289 G295K288-D293 PolarHBondContact O-N 2.82Å; R289-D293 CarbonylContact O-C 2.99Å; R289-D293 PolarHBondContact O-N 3.04Å; D293-G295 PolarHBondContact O-N 2.94Å
294S77.4Confident82.7Confident37 Ų3745.9 Ų45.926%0.25925%0.245SC..SBendtrans-82.2-2.8-168.7720000116.5R289 I290 I298R289-S294 VanDerWaalsContact O-CB 3.29Å; R289-S294 WeakPolarHBondContact O-CB 3.49Å; R289-S294 PolarHBondContact O-N 3.37Å; R289-S294 PolarHBondContact O-OG 3.37Å; I290-S294 WeakPolarHBondContact CA-OG 3.47Å; I290-S294 PolarHBondContact O-OG 3.42Å; S294-I298 WeakPolarHBondContact O-CD1 3.48Å; S294-I298 WeakPolarHBondContact OG-CB 3.22Å; S294-I298 WeakPolarHBondContact OG-CG2 3.45Å
295G80.5Confident82.6Confident33 Ų3347 Ų4734%0.3425%0.25SC..  trans97.7174.9178.400000115.1D293 R299D293-G295 PolarHBondContact O-N 2.94Å; G295-R299 VanDerWaalsContact O-CB 3.31Å; G295-R299 WeakPolarHBondContact O-CB 3.23Å; G295-R299 PolarHBondContact O-N 3.43Å
296Q82.4Confident82.7Confident155 Ų15542.5 Ų42.572%0.72423%0.226SC*.Hα-helixtrans-69.3-37.2-170-177.8169.5-13.800113.4S300Q296-S300 WeakPolarHBondContact O-CB 3.29Å; Q296-S300 PolarHBondContact O-N 3.28Å; Q296-S300 PolarHBondContact O-OG 3.46Å
297D81.1Confident82.6Confident93 Ų9348.1 Ų48.150%0.49725%0.25SS..Hα-helixtrans-70.9-42.5-176-71.2-2.5000113.3R263 S300 W301R263-D297 IonicContact NH1-OD2 3.13Å; R263-D297 PolarHBondContact NH1-OD2 3.43Å; D297-S300 WeakPolarHBondContact CA-OG 3.36Å; D297-S300 PolarHBondContact O-N 2.84Å; D297-S300 PolarHBondContact O-OG 3.44Å; D297-W301 VanDerWaalsContact O-CB 3.3Å; D297-W301 WeakPolarHBondContact O-CB 3.27Å; D297-W301 PolarHBondContact O-N 2.91Å
298I83Confident82.3Confident30 Ų3051.5 Ų51.515%0.15427%0.268CS..Hα-helixtrans-70.1-40.1178.7-65.8170.7000109.6I260 R263 I290 S294 W301 M302I260-I298 HydrophobicContact CG2-CD1 3.77Å; I260-I298 HydrophobicContact CG2-CG1 4.38Å; I260-I298 HydrophobicContact CG2-CG2 3.95Å; R263-I298 HydrophobicContact CG-CG1 4.37Å; I290-I298 HydrophobicContact CG2-CG2 4.2Å; S294-I298 WeakPolarHBondContact O-CD1 3.48Å; S294-I298 WeakPolarHBondContact OG-CB 3.22Å; S294-I298 WeakPolarHBondContact OG-CG2 3.45Å; I298-W301 HydrophobicContact CG2-CE3 4.17Å; I298-W301 HydrophobicContact CG2-CZ3 4.45Å; I298-W301 PolarHBondContact O-N 2.81Å; I298-M302 PolarHBondContact O-N 2.85Å
299R83.5Confident81.5Confident51 Ų5154.1 Ų54.119%0.19229%0.292CS..Hα-helixtrans-60.7-45.4173.5177.7-163.2-67.2165.17.4111.9L291 L292 G295 S303 F359L291-R299 HydrophobicContact CD2-CG 4.18Å; L291-R299 VanDerWaalsContact O-CZ 3.22Å; L291-R299 PolarHBondContact O-NE 3.17Å; L291-R299 PolarHBondContact O-NH2 3.26Å; L292-R299 PolarHBondContact O-NH2 3.16Å; G295-R299 VanDerWaalsContact O-CB 3.31Å; G295-R299 WeakPolarHBondContact O-CB 3.23Å; G295-R299 PolarHBondContact O-N 3.43Å; R299-S303 WeakPolarHBondContact O-CB 3.48Å; R299-S303 PolarHBondContact O-N 3.12Å; R299-S303 PolarHBondContact O-OG 3.07Å; R299-F359 VanDerWaalsContact CD-CZ 3.41Å; R299-F359 HydrophobicContact CG-CD1 4.46Å; R299-F359 HydrophobicContact CG-CD2 3.89Å; R299-F359 HydrophobicContact CG-CE2 4.14Å; R299-F359 HydrophobicContact CG-CG 4.08Å
300S82.4Confident80.9Confident65 Ų6554.3 Ų54.346%0.45531%0.305SS..Hα-helixtrans-67.2-39.4-179.865.80000111.5Q296 D297 S303 S304Q296-S300 WeakPolarHBondContact O-CB 3.29Å; Q296-S300 PolarHBondContact O-N 3.28Å; Q296-S300 PolarHBondContact O-OG 3.46Å; D297-S300 WeakPolarHBondContact CA-OG 3.36Å; D297-S300 PolarHBondContact O-N 2.84Å; D297-S300 PolarHBondContact O-OG 3.44Å; S300-S303 PolarHBondContact O-N 3.42Å; S300-S304 WeakPolarHBondContact O-CB 3.21Å; S300-S304 PolarHBondContact O-N 3.35Å; S300-S304 PolarHBondContact O-OG 2.84Å
301W85.4Confident80.5Confident32 Ų3254.3 Ų54.312%0.12131%0.305CS..Hα-helixtrans-59.6-51.2173.3165.572000113I260 R263 Q264 P266 V269 D297 I298 S303 S304 F305I260-W301 HydrophobicContact CG1-CZ3 4.4Å; R263-W301 VanDerWaalsContact C-CE2 3.48Å; R263-W301 VanDerWaalsContact C-NE1 3.3Å; R263-W301 HydrophobicContact CB-CB 4.49Å; R263-W301 HydrophobicContact CB-CD2 4.17Å; R263-W301 HydrophobicContact CB-CG 4Å; R263-W301 PolarHBondContact O-NE1 3.43Å; Q264-W301 WeakPolarHBondContact O-CZ2 3.3Å; P266-W301 HydrophobicContact CB-CH2 4.16Å; P266-W301 HydrophobicContact CB-CZ2 3.56Å; P266-W301 HydrophobicContact CG-CZ2 4.16Å; V269-W301 HydrophobicContact CG2-CH2 4.22Å; D297-W301 VanDerWaalsContact O-CB 3.3Å; D297-W301 WeakPolarHBondContact O-CB 3.27Å; D297-W301 PolarHBondContact O-N 2.91Å; I298-W301 HydrophobicContact CG2-CE3 4.17Å; I298-W301 HydrophobicContact CG2-CZ3 4.45Å; I298-W301 PolarHBondContact O-N 2.81Å; W301-S303 VanDerWaalsContact C-N 3.34Å; W301-S303 PolarHBondContact O-N 3.36Å; W301-S304 PolarHBondContact O-OG 3.42Å; W301-F305 PolarHBondContact O-N 3.41Å
302M85.8Confident80.3Confident2 Ų257.3 Ų57.31%0.0133%0.326CS..Hα-helixtrans-68.4-37.3178.5-175.260.572.200111.4P266 V269 L270 I290 I298 F305 L306P266-M302 HydrophobicContact CB-CE 4.44Å; P266-M302 HydrophobicContact CB-SD 4.34Å; V269-M302 HydrophobicContact CG1-CE 4.26Å; L270-M302 HydrophobicContact CD1-SD 4.39Å; I290-M302 HydrophobicContact CD1-CE 3.82Å; I290-M302 HydrophobicContact CG2-CB 3.75Å; I290-M302 HydrophobicContact CG2-CG 3.91Å; I298-M302 PolarHBondContact O-N 2.85Å; M302-F305 PolarHBondContact O-N 3.43Å; M302-L306 HydrophobicContact CG-CD1 3.94Å; M302-L306 HydrophobicContact CG-CG 4.49Å; M302-L306 WeakPolarHBondContact O-CG 3.31Å; M302-L306 PolarHBondContact O-N 3.24Å; M302-L306 HydrophobicContact SD-CD1 4.21Å; M302-L306 HydrophobicContact SD-CG 4.32Å
303S83.4Confident80.3Confident4 Ų462.3 Ų62.33%0.02834%0.343CS..Hα-helixtrans-71.5-32.7-179.4-57.30000112.8R299 S300 W301 K307 F359R299-S303 WeakPolarHBondContact O-CB 3.48Å; R299-S303 PolarHBondContact O-N 3.12Å; R299-S303 PolarHBondContact O-OG 3.07Å; S300-S303 PolarHBondContact O-N 3.42Å; W301-S303 VanDerWaalsContact C-N 3.34Å; W301-S303 PolarHBondContact O-N 3.36Å; S303-K307 VanDerWaalsContact O-CG 3.26Å; S303-K307 WeakPolarHBondContact O-CG 3.46Å; S303-K307 PolarHBondContact O-N 2.94Å; S303-F359 WeakPolarHBondContact OG-CB 3.39Å
304S80.4Confident80.3Confident63 Ų6358.7 Ų58.744%0.44132%0.322SS..Hα-helixtrans-67.4-43.1173.964.90000110.1S300 W301 K307 L308S300-S304 WeakPolarHBondContact O-CB 3.21Å; S300-S304 PolarHBondContact O-N 3.35Å; S300-S304 PolarHBondContact O-OG 2.84Å; W301-S304 PolarHBondContact O-OG 3.42Å; S304-K307 WeakPolarHBondContact O-CB 3.28Å; S304-K307 PolarHBondContact O-N 3.01Å; S304-L308 WeakPolarHBondContact O-CD1 3.42Å
305F81.9Confident80.6Confident33 Ų3358.4 Ų58.415%0.14532%0.317CS..Hα-helixtrans-59.3-49.6175.3179.6-104.7000112.8P266 L270 W301 M302 K307 L308 S311 Y314P266-F305 HydrophobicContact CB-CB 3.73Å; P266-F305 HydrophobicContact CB-CD1 3.73Å; P266-F305 HydrophobicContact CB-CD2 3.95Å; P266-F305 HydrophobicContact CB-CE1 4.34Å; P266-F305 HydrophobicContact CB-CE2 4.48Å; P266-F305 HydrophobicContact CB-CG 3.5Å; P266-F305 VanDerWaalsContact CB-CG 3.5Å; P266-F305 HydrophobicContact CG-CB 3.61Å; P266-F305 HydrophobicContact CG-CD1 4.03Å; P266-F305 HydrophobicContact CG-CD2 3.27Å; P266-F305 HydrophobicContact CG-CE2 3.86Å; P266-F305 HydrophobicContact CG-CG 3.33Å; P266-F305 HydrophobicContact CG-CZ 4.46Å; L270-F305 HydrophobicContact CD1-CD1 4.11Å; L270-F305 HydrophobicContact CD1-CE1 3.75Å; W301-F305 PolarHBondContact O-N 3.41Å; M302-F305 PolarHBondContact O-N 3.43Å; F305-K307 PolarHBondContact O-N 2.86Å; F305-K307 VanDerWaalsContact O-N 3.16Å; F305-L308 WeakPolarHBondContact O-CB 3.34Å; F305-L308 PolarHBondContact O-N 3.43Å; F305-S311 PolarHBondContact O-OG 3.2Å; F305-Y314 HydrophobicContact CE1-CD2 4.09Å; F305-Y314 HydrophobicContact CE1-CE2 4.12Å; F305-Y314 HydrophobicContact CZ-CD2 4.34Å; F305-Y314 AromaticContact CZ-CE2 3.97Å; F305-Y314 HydrophobicContact CZ-CE2 3.97Å
306L83.8Confident80.6Confident2 Ų261.1 Ų61.11%0.0132%0.323CS..THydrogen-bonded Turntrans-69.4-9.1-179.4-70.4172.9000113.9L270 M302 S311 L315 F356 I360L270-L306 HydrophobicContact CD1-CD2 3.87Å; M302-L306 HydrophobicContact CG-CD1 3.94Å; M302-L306 HydrophobicContact CG-CG 4.49Å; M302-L306 WeakPolarHBondContact O-CG 3.31Å; M302-L306 PolarHBondContact O-N 3.24Å; M302-L306 HydrophobicContact SD-CD1 4.21Å; M302-L306 HydrophobicContact SD-CG 4.32Å; L306-S311 WeakPolarHBondContact CA-OG 3.27Å; L306-S311 PolarHBondContact O-OG 3.14Å; L306-L315 HydrophobicContact CD2-CD2 4.24Å; L306-F356 HydrophobicContact CD1-CE1 4.1Å; L306-F356 HydrophobicContact CD1-CZ 4.19Å; L306-I360 HydrophobicContact CB-CD1 3.9Å; L306-I360 HydrophobicContact CB-CG1 4.13Å; L306-I360 HydrophobicContact CB-CG2 3.95Å; L306-I360 HydrophobicContact CD1-CD1 3.47Å; L306-I360 VanDerWaalsContact CD1-CD1 3.47Å; L306-I360 HydrophobicContact CD1-CG1 4.48Å; L306-I360 HydrophobicContact CG-CD1 4.34Å
307K80.8Confident80.5Confident124 Ų12456 Ų5654%0.53930%0.301SS..THydrogen-bonded Turntrans-84.2-18.2170.3-79.3173.3-175.2175.90113S303 S304 F305 F359 I360S303-K307 VanDerWaalsContact O-CG 3.26Å; S303-K307 WeakPolarHBondContact O-CG 3.46Å; S303-K307 PolarHBondContact O-N 2.94Å; S304-K307 WeakPolarHBondContact O-CB 3.28Å; S304-K307 PolarHBondContact O-N 3.01Å; F305-K307 PolarHBondContact O-N 2.86Å; F305-K307 VanDerWaalsContact O-N 3.16Å; K307-F359 WeakPolarHBondContact CE-O 3.25Å; K307-F359 PolarHBondContact NZ-O 2.94Å; K307-I360 HydrophobicContact CG-CG2 4.26Å; K307-I360 WeakPolarHBondContact CG-O 3.15Å
308L77.7Confident80.7Confident74 Ų7451.7 Ų51.739%0.38728%0.278SS..SBendtrans-69.1139.3-178.5-87.670.4000109.8S304 F305 S310 S311S304-L308 WeakPolarHBondContact O-CD1 3.42Å; F305-L308 WeakPolarHBondContact O-CB 3.34Å; F305-L308 PolarHBondContact O-N 3.43Å; L308-S310 PolarHBondContact O-N 3.22Å; L308-S310 VanDerWaalsContact O-N 3.14Å; L308-S311 WeakPolarHBondContact O-CB 3.26Å; L308-S311 PolarHBondContact O-N 3.33Å; L308-S311 PolarHBondContact O-OG 3.48Å
309P69.7Low80.8Confident119 Ų11950.8 Ų50.877%0.77327%0.274SS*.G310 helixtrans-59.7-27.2178.122.7-31.8000112.9S311 S312P309-S311 PolarHBondContact O-N 3.19Å; P309-S312 WeakPolarHBondContact O-CB 3.4Å; P309-S312 PolarHBondContact O-N 3.3Å; P309-S312 PolarHBondContact O-OG 3.41Å
310S70.6Confident80.7Confident84 Ų8454.3 Ų54.359%0.58729%0.293SS*.G310 helixtrans-64.6-17.3174.456.10000114L308 S312L308-S310 PolarHBondContact O-N 3.22Å; L308-S310 VanDerWaalsContact O-N 3.14Å; S310-S312 VanDerWaalsContact C-N 3.31Å
311S76.8Confident80.8Confident0 Ų052.9 Ų52.90%028%0.279CS..G310 helixtrans-88.66.1178.870.60000114.1F305 L306 L308 P309 W313 Y314 L315F305-S311 PolarHBondContact O-OG 3.2Å; L306-S311 WeakPolarHBondContact CA-OG 3.27Å; L306-S311 PolarHBondContact O-OG 3.14Å; L308-S311 WeakPolarHBondContact O-CB 3.26Å; L308-S311 PolarHBondContact O-N 3.33Å; L308-S311 PolarHBondContact O-OG 3.48Å; P309-S311 PolarHBondContact O-N 3.19Å; S311-W313 VanDerWaalsContact C-N 3.27Å; S311-W313 PolarHBondContact O-N 2.87Å; S311-Y314 WeakPolarHBondContact O-CB 2.81Å; S311-Y314 PolarHBondContact O-N 3.28Å; S311-L315 PolarHBondContact O-N 3.15Å; S311-L315 VanDerWaalsContact O-N 3.07Å
312S77.3Confident80.9Confident65 Ų6551.3 Ų51.346%0.45527%0.273SS..Hα-helixtrans-51.1-45.3-178.857.10000112.6P309 S310 Y314 L315 D316P309-S312 WeakPolarHBondContact O-CB 3.4Å; P309-S312 PolarHBondContact O-N 3.3Å; P309-S312 PolarHBondContact O-OG 3.41Å; S310-S312 VanDerWaalsContact C-N 3.31Å; S312-Y314 VanDerWaalsContact C-N 3.32Å; S312-Y314 PolarHBondContact O-N 3.29Å; S312-L315 PolarHBondContact O-N 3.14Å; S312-L315 VanDerWaalsContact O-N 3.12Å; S312-D316 PolarHBondContact O-N 3.02Å
313W80.5Confident80.9Confident140 Ų14052.2 Ų52.253%0.5328%0.277SS..Hα-helixtrans-58.9-40.1177.7-177.286.7000113.1F274 S311 D316 N317F274-W313 HydrophobicContact CD2-CZ3 4.49Å; S311-W313 VanDerWaalsContact C-N 3.27Å; S311-W313 PolarHBondContact O-N 2.87Å; W313-D316 PolarHBondContact O-N 2.74Å; W313-N317 VanDerWaalsContact CE2-ND2 3.27Å; W313-N317 WeakPolarHBondContact CH2-ND2 3.25Å; W313-N317 WeakPolarHBondContact CZ2-ND2 3.1Å; W313-N317 VanDerWaalsContact CZ3-ND2 3.29Å; W313-N317 WeakPolarHBondContact CZ3-ND2 3.48Å; W313-N317 PolarHBondContact O-N 3.43Å
314Y82.3Confident80.9Confident27 Ų2757.3 Ų57.311%0.10630%0.299CS..Hα-helixtrans-68.3-40.9176.2-60.3-72.2000111.5L270 D271 F274 F305 S311 S312 D316 N317 L318L270-Y314 HydrophobicContact CB-CD1 3.62Å; L270-Y314 HydrophobicContact CB-CE1 3.64Å; L270-Y314 HydrophobicContact CB-CG 4.37Å; L270-Y314 HydrophobicContact CD1-CD1 4.03Å; L270-Y314 HydrophobicContact CD1-CD2 4.35Å; L270-Y314 HydrophobicContact CD1-CG 3.93Å; L270-Y314 HydrophobicContact CG-CD1 4.43Å; D271-Y314 VanDerWaalsContact CG-OH 3.26Å; D271-Y314 WeakPolarHBondContact OD1-CE1 3.33Å; D271-Y314 VanDerWaalsContact OD1-CZ 3.29Å; D271-Y314 PolarHBondContact OD1-OH 2.79Å; D271-Y314 PolarHBondContact OD2-OH 2.9Å; F274-Y314 HydrophobicContact CD2-CD1 4.16Å; F274-Y314 HydrophobicContact CE2-CD1 4.05Å; F305-Y314 HydrophobicContact CE1-CD2 4.09Å; F305-Y314 HydrophobicContact CE1-CE2 4.12Å; F305-Y314 HydrophobicContact CZ-CD2 4.34Å; F305-Y314 AromaticContact CZ-CE2 3.97Å; F305-Y314 HydrophobicContact CZ-CE2 3.97Å; S311-Y314 WeakPolarHBondContact O-CB 2.81Å; S311-Y314 PolarHBondContact O-N 3.28Å; S312-Y314 VanDerWaalsContact C-N 3.32Å; S312-Y314 PolarHBondContact O-N 3.29Å; Y314-D316 VanDerWaalsContact C-N 3.32Å; Y314-N317 PolarHBondContact O-N 2.84Å; Y314-L318 WeakPolarHBondContact O-CB 3.36Å; Y314-L318 VanDerWaalsContact O-CG 3.23Å; Y314-L318 WeakPolarHBondContact O-CG 3.49Å; Y314-L318 PolarHBondContact O-N 3.21Å
315L83.7Confident81.1Confident31 Ų3155.8 Ų55.816%0.16229%0.286CS..Hα-helixtrans-63.4-39.6176.4-69.3176.9000111.6L306 S311 S312 L318 S319 F356 Y362L306-L315 HydrophobicContact CD2-CD2 4.24Å; S311-L315 PolarHBondContact O-N 3.15Å; S311-L315 VanDerWaalsContact O-N 3.07Å; S312-L315 PolarHBondContact O-N 3.14Å; S312-L315 VanDerWaalsContact O-N 3.12Å; L315-L318 PolarHBondContact O-N 3.48Å; L315-S319 WeakPolarHBondContact O-CB 3.43Å; L315-S319 PolarHBondContact O-N 3.13Å; L315-F356 HydrophobicContact CD2-CE1 4.4Å; L315-Y362 HydrophobicContact CB-CE2 4.45Å; L315-Y362 HydrophobicContact CD2-CD2 4.07Å; L315-Y362 HydrophobicContact CD2-CE2 4.38Å
316D81.3Confident81.3Confident89 Ų8954.2 Ų54.248%0.47628%0.279SS..Hα-helixtrans-64.1-46.7176-70.7-21.3000110.7S312 W313 Y314 L318 S319 H320S312-D316 PolarHBondContact O-N 3.02Å; W313-D316 PolarHBondContact O-N 2.74Å; Y314-D316 VanDerWaalsContact C-N 3.32Å; D316-L318 VanDerWaalsContact C-N 3.35Å; D316-L318 PolarHBondContact O-N 3.34Å; D316-S319 WeakPolarHBondContact O-CB 3.34Å; D316-S319 PolarHBondContact O-N 2.88Å; D316-S319 VanDerWaalsContact O-N 3.13Å; D316-S319 PolarHBondContact O-OG 2.99Å; D316-H320 PolarHBondContact O-N 2.63Å; D316-H320 PolarHBondContact O-ND1 3.39Å
317N79.9Confident81.4Confident49 Ų4956.3 Ų56.326%0.26229%0.294SS..Hα-helixtrans-62.2-41.2175.5-75.1-16000112.8F274 W313 Y314 S319 H320 H321F274-N317 HydrophobicContact CE1-CB 4.03Å; F274-N317 HydrophobicContact CE2-CB 4.38Å; F274-N317 HydrophobicContact CZ-CB 3.93Å; W313-N317 VanDerWaalsContact CE2-ND2 3.27Å; W313-N317 WeakPolarHBondContact CH2-ND2 3.25Å; W313-N317 WeakPolarHBondContact CZ2-ND2 3.1Å; W313-N317 VanDerWaalsContact CZ3-ND2 3.29Å; W313-N317 WeakPolarHBondContact CZ3-ND2 3.48Å; W313-N317 PolarHBondContact O-N 3.43Å; Y314-N317 PolarHBondContact O-N 2.84Å; N317-S319 VanDerWaalsContact C-N 3.3Å; N317-S319 PolarHBondContact O-N 3.38Å; N317-H320 PolarHBondContact O-N 3.21Å; N317-H321 WeakPolarHBondContact O-CB 3.49Å; N317-H321 PolarHBondContact O-N 2.84Å
318L84.6Confident81.5Confident1 Ų154.9 Ų54.91%0.00530%0.298CS..Hα-helixtrans-62.4-39.6173.7-74.3175.7000111.5F274 T283 L287 Y314 L315 D316 H321 F322 F356F274-L318 HydrophobicContact CE1-CD2 4.43Å; F274-L318 HydrophobicContact CZ-CD2 3.7Å; F274-L318 HydrophobicContact CZ-CG 3.87Å; T283-L318 HydrophobicContact CG2-CD2 4.27Å; L287-L318 HydrophobicContact CD1-CD2 3.79Å; Y314-L318 WeakPolarHBondContact O-CB 3.36Å; Y314-L318 VanDerWaalsContact O-CG 3.23Å; Y314-L318 WeakPolarHBondContact O-CG 3.49Å; Y314-L318 PolarHBondContact O-N 3.21Å; L315-L318 PolarHBondContact O-N 3.48Å; D316-L318 VanDerWaalsContact C-N 3.35Å; D316-L318 PolarHBondContact O-N 3.34Å; L318-H321 WeakPolarHBondContact O-CB 3.23Å; L318-H321 PolarHBondContact O-N 2.79Å; L318-F322 HydrophobicContact CB-CD2 4.37Å; L318-F322 HydrophobicContact CB-CE2 3.93Å; L318-F322 HydrophobicContact CB-CZ 4.48Å; L318-F322 WeakPolarHBondContact O-CB 3.4Å; L318-F322 WeakPolarHBondContact O-CD2 3.15Å; L318-F322 WeakPolarHBondContact O-CG 3.4Å; L318-F322 PolarHBondContact O-N 3.35Å; L318-F356 HydrophobicContact CD1-CE1 3.77Å; L318-F356 HydrophobicContact CD1-CZ 3.74Å
319S84.8Confident81.8Confident11 Ų1152 Ų528%0.07728%0.284CS..Hα-helixtrans-61.8-46.4177.782.10000111.6L315 D316 N317 H321 F322 I323 Y362L315-S319 WeakPolarHBondContact O-CB 3.43Å; L315-S319 PolarHBondContact O-N 3.13Å; D316-S319 WeakPolarHBondContact O-CB 3.34Å; D316-S319 PolarHBondContact O-N 2.88Å; D316-S319 VanDerWaalsContact O-N 3.13Å; D316-S319 PolarHBondContact O-OG 2.99Å; N317-S319 VanDerWaalsContact C-N 3.3Å; N317-S319 PolarHBondContact O-N 3.38Å; S319-H321 VanDerWaalsContact C-N 3.3Å; S319-H321 PolarHBondContact O-N 3Å; S319-F322 PolarHBondContact O-N 3.38Å; S319-I323 WeakPolarHBondContact O-CB 3.48Å; S319-I323 VanDerWaalsContact O-CG1 3.26Å; S319-I323 WeakPolarHBondContact O-CG1 3.39Å; S319-I323 PolarHBondContact O-N 3.29Å; S319-Y362 WeakPolarHBondContact CB-OH 3.5Å
320H82.9Confident82.4Confident125 Ų12548 Ų4858%0.57926%0.255SS*.Hα-helixtrans-60.8-42.3175.3-72.485.7000110.8D316 N317 I323 K324D316-H320 PolarHBondContact O-N 2.63Å; D316-H320 PolarHBondContact O-ND1 3.39Å; N317-H320 PolarHBondContact O-N 3.21Å; H320-I323 PolarHBondContact O-N 3.07Å; H320-K324 WeakPolarHBondContact O-CB 2.95Å; H320-K324 PolarHBondContact O-N 3.4Å
321H83.3Confident82.6Confident35 Ų3545.3 Ų45.316%0.16224%0.235CC..Hα-helixtrans-64.3-43.8176.6-178.9-96.2000112.2N317 L318 S319 K324 I325N317-H321 WeakPolarHBondContact O-CB 3.49Å; N317-H321 PolarHBondContact O-N 2.84Å; L318-H321 WeakPolarHBondContact O-CB 3.23Å; L318-H321 PolarHBondContact O-N 2.79Å; S319-H321 VanDerWaalsContact C-N 3.3Å; S319-H321 PolarHBondContact O-N 3Å; H321-K324 PolarHBondContact O-N 3.4Å; H321-I325 WeakPolarHBondContact CE1-CD1 3.46Å; H321-I325 WeakPolarHBondContact O-CG1 3.39Å; H321-I325 PolarHBondContact O-N 2.83Å
322F87.7Confident82.5Confident0 Ų057.9 Ų57.90%028%0.283CS..Hα-helixtrans-65.2-41.4176.1-64.8-44.3000111.9L287 L318 S319 K324 I325 T326 L349 V352 L353 F356 L368L287-F322 HydrophobicContact CD1-CE1 3.91Å; L287-F322 HydrophobicContact CD1-CZ 3.8Å; L318-F322 HydrophobicContact CB-CD2 4.37Å; L318-F322 HydrophobicContact CB-CE2 3.93Å; L318-F322 HydrophobicContact CB-CZ 4.48Å; L318-F322 WeakPolarHBondContact O-CB 3.4Å; L318-F322 WeakPolarHBondContact O-CD2 3.15Å; L318-F322 WeakPolarHBondContact O-CG 3.4Å; L318-F322 PolarHBondContact O-N 3.35Å; S319-F322 PolarHBondContact O-N 3.38Å; F322-K324 VanDerWaalsContact C-N 3.35Å; F322-I325 PolarHBondContact O-N 3.22Å; F322-T326 VanDerWaalsContact O-CB 3.28Å; F322-T326 WeakPolarHBondContact O-CB 3.26Å; F322-T326 PolarHBondContact O-N 3.18Å; F322-T326 PolarHBondContact O-OG1 3.1Å; F322-L349 HydrophobicContact CD1-CD1 3.87Å; F322-V352 HydrophobicContact CE1-CG1 4.08Å; F322-V352 HydrophobicContact CZ-CG1 4.13Å; F322-L353 HydrophobicContact CB-CD2 4.45Å; F322-L353 HydrophobicContact CD1-CD2 4.19Å; F322-L353 HydrophobicContact CD2-CD2 3.8Å; F322-L353 HydrophobicContact CE1-CD2 4.37Å; F322-L353 HydrophobicContact CE2-CD2 3.99Å; F322-L353 HydrophobicContact CG-CD2 3.91Å; F322-L353 HydrophobicContact CZ-CD2 4.27Å; F322-F356 HydrophobicContact CE2-CD1 4.45Å; F322-F356 HydrophobicContact CE2-CE1 4.33Å; F322-F356 HydrophobicContact CE2-CE2 4.49Å; F322-F356 HydrophobicContact CE2-CZ 4.36Å; F322-F356 HydrophobicContact CZ-CD2 4.21Å; F322-F356 HydrophobicContact CZ-CE1 4.44Å; F322-F356 AromaticContact CZ-CE2 3.87Å; F322-F356 HydrophobicContact CZ-CE2 3.87Å; F322-F356 HydrophobicContact CZ-CZ 4.02Å; F322-L368 HydrophobicContact CB-CD1 3.44Å; F322-L368 VanDerWaalsContact CB-CD1 3.44Å; F322-L368 HydrophobicContact CG-CD1 4.43Å
323I85.6Confident82.3Confident20 Ų2058.7 Ų58.710%0.10328%0.282CS..Hα-helixtrans-61.6-44.9175.5-69.5166.4000110.2S319 H320 T326 S327 P365 E367 L368 K371S319-I323 WeakPolarHBondContact O-CB 3.48Å; S319-I323 VanDerWaalsContact O-CG1 3.26Å; S319-I323 WeakPolarHBondContact O-CG1 3.39Å; S319-I323 PolarHBondContact O-N 3.29Å; H320-I323 PolarHBondContact O-N 3.07Å; I323-T326 PolarHBondContact O-N 3.35Å; I323-S327 WeakPolarHBondContact O-CB 3.32Å; I323-S327 PolarHBondContact O-N 3.47Å; I323-S327 PolarHBondContact O-OG 3.46Å; I323-P365 HydrophobicContact CD1-CG 4.3Å; I323-E367 HydrophobicContact CD1-CB 4.38Å; I323-E367 HydrophobicContact CG2-CG 4.46Å; I323-E367 WeakPolarHBondContact CG2-OE1 3.41Å; I323-L368 HydrophobicContact CD1-CB 4.41Å; I323-L368 HydrophobicContact CG1-CB 3.82Å; I323-L368 HydrophobicContact CG1-CD1 4.05Å; I323-L368 HydrophobicContact CG1-CG 4.41Å; I323-K371 HydrophobicContact CG2-CD 4.25Å
324K84.3Confident81.8Confident111 Ų11156.5 Ų56.548%0.48329%0.288SS..Hα-helixtrans-60.3-52.3177.7-174.5179.5172.7-172.40111.2E280 H320 H321 F322 T326 S327 C328E280-K324 IonicContact OE1-NZ 2.66Å; E280-K324 PolarHBondContact OE1-NZ 2.94Å; H320-K324 WeakPolarHBondContact O-CB 2.95Å; H320-K324 PolarHBondContact O-N 3.4Å; H321-K324 PolarHBondContact O-N 3.4Å; F322-K324 VanDerWaalsContact C-N 3.35Å; K324-T326 PolarHBondContact O-N 2.9Å; K324-S327 PolarHBondContact O-N 3.25Å; K324-C328 PolarHBondContact O-N 3.26Å; K324-C328 PolarHBondContact O-SG 3.38Å
325I84.5Confident81.2Confident31 Ų3158.2 Ų58.216%0.15931%0.308CS..Hα-helixtrans-60.6-46.6178.5-68-178.9000111.1L284 H321 F322 S327 C328 L329 L349L284-I325 HydrophobicContact CB-CD1 4.18Å; L284-I325 HydrophobicContact CD2-CD1 4.38Å; H321-I325 WeakPolarHBondContact CE1-CD1 3.46Å; H321-I325 WeakPolarHBondContact O-CG1 3.39Å; H321-I325 PolarHBondContact O-N 2.83Å; F322-I325 PolarHBondContact O-N 3.22Å; I325-S327 VanDerWaalsContact C-N 3.25Å; I325-S327 PolarHBondContact O-N 3.05Å; I325-C328 PolarHBondContact O-N 3.34Å; I325-C328 VanDerWaalsContact O-N 3.1Å; I325-L329 HydrophobicContact CG2-CD1 3.91Å; I325-L329 HydrophobicContact CG2-CG 4.35Å; I325-L329 WeakPolarHBondContact O-CG 3.32Å; I325-L329 PolarHBondContact O-N 3.16Å; I325-L349 HydrophobicContact CG2-CD1 4.21Å; I325-L349 HydrophobicContact CG2-CD2 4.21Å
326T85.8Confident80.8Confident0 Ų061.2 Ų61.20%032%0.323CS..Hα-helixtrans-58.6-41.6178.8-51.70000110.6F322 I323 K324 C328 L329 I330 K371 L375F322-T326 VanDerWaalsContact O-CB 3.28Å; F322-T326 WeakPolarHBondContact O-CB 3.26Å; F322-T326 PolarHBondContact O-N 3.18Å; F322-T326 PolarHBondContact O-OG1 3.1Å; I323-T326 PolarHBondContact O-N 3.35Å; K324-T326 PolarHBondContact O-N 2.9Å; T326-C328 VanDerWaalsContact C-N 3.34Å; T326-C328 PolarHBondContact O-N 3.48Å; T326-L329 PolarHBondContact O-N 3.37Å; T326-I330 HydrophobicContact CG2-CD1 4.14Å; T326-I330 WeakPolarHBondContact O-CG1 3.25Å; T326-I330 PolarHBondContact O-N 3.15Å; T326-K371 HydrophobicContact CG2-CB 3.86Å; T326-L375 HydrophobicContact CG2-CD2 4.08Å
327S85.1Confident80.8Confident46 Ų4659.7 Ų59.732%0.32232%0.318SS..Hα-helixtrans-66.4-34.7177.9-52.90000112.6I323 K324 I325 L329 K371I323-S327 WeakPolarHBondContact O-CB 3.32Å; I323-S327 PolarHBondContact O-N 3.47Å; I323-S327 PolarHBondContact O-OG 3.46Å; K324-S327 PolarHBondContact O-N 3.25Å; I325-S327 VanDerWaalsContact C-N 3.25Å; I325-S327 PolarHBondContact O-N 3.05Å; S327-L329 VanDerWaalsContact C-N 3.33Å; S327-K371 WeakPolarHBondContact OG-CD 3.42Å; S327-K371 WeakPolarHBondContact OG-CE 3.41Å; S327-K371 PolarHBondContact OG-NZ 2.99Å
328C83.8Confident80.8Confident94 Ų9457.4 Ų57.464%0.63531%0.306SS*.Hα-helixtrans-70.9-27.7175.5-670000113K324 I325 T326K324-C328 PolarHBondContact O-N 3.26Å; K324-C328 PolarHBondContact O-SG 3.38Å; I325-C328 PolarHBondContact O-N 3.34Å; I325-C328 VanDerWaalsContact O-N 3.1Å; T326-C328 VanDerWaalsContact C-N 3.34Å; T326-C328 PolarHBondContact O-N 3.48Å
329L82.6Confident80.7Confident15 Ų1560.5 Ų60.58%0.07932%0.322CS..Hα-helixtrans-84.6-15-179.8-68174.4000113.9I325 T326 S327 P331 M342 T345 A346 L349 L375I325-L329 HydrophobicContact CG2-CD1 3.91Å; I325-L329 HydrophobicContact CG2-CG 4.35Å; I325-L329 WeakPolarHBondContact O-CG 3.32Å; I325-L329 PolarHBondContact O-N 3.16Å; T326-L329 PolarHBondContact O-N 3.37Å; S327-L329 VanDerWaalsContact C-N 3.33Å; L329-P331 WeakPolarHBondContact O-CD 3.38Å; L329-M342 HydrophobicContact CD2-CB 4.42Å; L329-M342 WeakPolarHBondContact O-CE 3.39Å; L329-T345 VanDerWaalsContact CD2-OG1 3.23Å; L329-T345 WeakPolarHBondContact CD2-OG1 3.24Å; L329-A346 HydrophobicContact CD1-CB 4.18Å; L329-L349 HydrophobicContact CD1-CD2 3.94Å; L329-L375 HydrophobicContact CB-CD1 4.24Å
330I82.7Confident80.4Confident35 Ų3563 Ų6318%0.17934%0.335CS..SBendtrans-88.7113.5177.5-62.9162.3000108.3T326 K371 I374 L375T326-I330 HydrophobicContact CG2-CD1 4.14Å; T326-I330 WeakPolarHBondContact O-CG1 3.25Å; T326-I330 PolarHBondContact O-N 3.15Å; I330-K371 HydrophobicContact CD1-CB 3.98Å; I330-K371 HydrophobicContact CD1-CG 4.46Å; I330-K371 WeakPolarHBondContact CD1-O 3.21Å; I330-I374 HydrophobicContact CD1-CG2 4.44Å; I330-I374 HydrophobicContact CG2-CG2 4.06Å; I330-L375 HydrophobicContact CD1-CB 4.43Å; I330-L375 HydrophobicContact CG1-CB 4.12Å; I330-L375 HydrophobicContact CG1-CD1 4.19Å
331P75.9Confident80.3Confident26 Ų2660.6 Ų60.617%0.16933%0.332CS..  trans-59.5142173.8-20.233.1000110.7L329 D333 L338 M342L329-P331 WeakPolarHBondContact O-CD 3.38Å; P331-D333 PolarHBondContact O-N 3.1Å; P331-L338 HydrophobicContact CG-CD2 4.22Å; P331-M342 HydrophobicContact CG-CE 4.38Å
332R73.3Confident80.3Confident264 Ų26461.2 Ų61.2100%0.99634%0.335SS*.SBendtrans-63-27.5177.4-69.8-176.1-178.2173.30.7112.8
333D73.6Confident80.1Confident83 Ų8361.2 Ų61.244%0.44434%0.335SS..SBendtrans-106.6114.2176.9-172.6-3.1000110.1P331 A335 I336P331-D333 PolarHBondContact O-N 3.1Å; D333-A335 PolarHBondContact O-N 3.37Å; D333-A335 VanDerWaalsContact O-N 3.09Å; D333-A335 WeakPolarHBondContact OD1-CB 3.14Å; D333-A335 PolarHBondContact OD1-N 3.32Å; D333-A335 VanDerWaalsContact OD1-N 3.12Å; D333-I336 HydrophobicContact CB-CD1 3.78Å; D333-I336 HydrophobicContact CB-CG1 4Å; D333-I336 PolarHBondContact O-N 2.96Å; D333-I336 VanDerWaalsContact O-N 3.15Å
334S70.9Confident80Confident93 Ų9364.8 Ų64.865%0.6535%0.354SS*.THydrogen-bonded Turntrans-61.3-14.7179.764.30000114.5
335A69.7Low80Confident63 Ų6362 Ų6252%0.52135%0.347SS..THydrogen-bonded Turntrans-77.3-24.1177.300000113.2D333 P337D333-A335 PolarHBondContact O-N 3.37Å; D333-A335 VanDerWaalsContact O-N 3.09Å; D333-A335 WeakPolarHBondContact OD1-CB 3.14Å; D333-A335 PolarHBondContact OD1-N 3.32Å; D333-A335 VanDerWaalsContact OD1-N 3.12Å; A335-P337 WeakPolarHBondContact O-CD 3.45Å
336I75.6Confident80.1Confident94 Ų9460.6 Ų60.648%0.48234%0.339SS..SBendtrans-83.6112.5-172.9-57.3174.4000109.8D333 H378D333-I336 HydrophobicContact CB-CD1 3.78Å; D333-I336 HydrophobicContact CB-CG1 4Å; D333-I336 PolarHBondContact O-N 2.96Å; D333-I336 VanDerWaalsContact O-N 3.15Å; I336-H378 PolarHBondContact O-CE1 2.89Å
337P80.3Confident80.2Confident57 Ų5761.4 Ų61.437%0.3734%0.344SS..PPolyproline II helixtrans-66.8149.3-178.529.1-35.1000112.5A335 D339 R379 V381A335-P337 WeakPolarHBondContact O-CD 3.45Å; P337-D339 PolarHBondContact O-N 3.42Å; P337-R379 WeakPolarHBondContact CA-O 3.45Å; P337-R379 HydrophobicContact CB-CB 4.44Å; P337-V381 HydrophobicContact CB-CG2 3.87Å; P337-V381 HydrophobicContact CG-CG2 3.84Å
338L81Confident80.3Confident1 Ų159.9 Ų59.91%0.00533%0.333CS..BIsolated β-bridgetrans-63.9127.2174.7-68.7166.4000110.7P331 M342 I343 L375 H378 R379 T380 V381 Y389P331-L338 HydrophobicContact CG-CD2 4.22Å; L338-M342 HydrophobicContact CD2-CB 4.11Å; L338-M342 HydrophobicContact CD2-CE 4.23Å; L338-M342 HydrophobicContact CD2-SD 4.42Å; L338-I343 HydrophobicContact CB-CD1 4.46Å; L338-I343 HydrophobicContact CB-CG1 3.96Å; L338-I343 WeakPolarHBondContact O-CD1 3.33Å; L338-L375 HydrophobicContact CD1-CD1 4.33Å; L338-H378 HydrophobicContact CD1-CB 4.02Å; L338-R379 PolarHBondContact N-O 3.38Å; L338-T380 HydrophobicContact CD1-CG2 4.4Å; L338-V381 VanDerWaalsContact O-CG2 3.26Å; L338-V381 WeakPolarHBondContact O-CG2 3.5Å; L338-V381 PolarHBondContact O-N 3.4Å; L338-V381 VanDerWaalsContact O-N 3.09Å; L338-Y389 HydrophobicContact CD1-CE1 4.25Å
339D81.5Confident80.5Confident67 Ų6755.4 Ų55.436%0.35830%0.302SS..PPolyproline II helixtrans-77.9168.2175.876.6-23.2000111.9P337 S341 M342 I343P337-D339 PolarHBondContact O-N 3.42Å; D339-S341 PolarHBondContact O-N 2.91Å; D339-S341 VanDerWaalsContact O-N 3.16Å; D339-S341 PolarHBondContact OD1-OG 3.4Å; D339-S341 PolarHBondContact OD2-OG 2.87Å; D339-M342 PolarHBondContact O-N 3.33Å; D339-M342 WeakPolarHBondContact OD1-CA 3.3Å; D339-M342 WeakPolarHBondContact OD1-CB 3.38Å; D339-M342 WeakPolarHBondContact OD1-CG 3.45Å; D339-M342 PolarHBondContact OD1-N 2.95Å; D339-I343 WeakPolarHBondContact O-CB 3.48Å; D339-I343 WeakPolarHBondContact O-CD1 3.5Å; D339-I343 WeakPolarHBondContact O-CG1 3.46Å; D339-I343 PolarHBondContact O-N 3.29Å
340D79.5Confident80.8Confident64 Ų6454.7 Ų54.734%0.34230%0.299SS..Hα-helixtrans-64.3-22.2-177-77.7-18.4000113.6L344 S383D340-L344 PolarHBondContact O-N 3.14Å; D340-S383 WeakPolarHBondContact OD1-CB 3.41Å; D340-S383 PolarHBondContact OD1-OG 3.26Å
341S79.2Confident81.1Confident73 Ų7357.9 Ų57.951%0.5131%0.309SS..Hα-helixtrans-79.3-43.9178.982.30000111.7D339 L344 T345D339-S341 PolarHBondContact O-N 2.91Å; D339-S341 VanDerWaalsContact O-N 3.16Å; D339-S341 PolarHBondContact OD1-OG 3.4Å; D339-S341 PolarHBondContact OD2-OG 2.87Å; S341-L344 PolarHBondContact O-N 3.35Å; S341-T345 PolarHBondContact O-N 3.29Å; S341-T345 PolarHBondContact O-OG1 3.28Å
342M83.1Confident81.7Confident48 Ų4856.7 Ų56.724%0.23630%0.3CS..Hα-helixtrans-68.5-35.1172.5-64.9173.887.100111L329 P331 L338 D339 L344 T345 A346L329-M342 HydrophobicContact CD2-CB 4.42Å; L329-M342 WeakPolarHBondContact O-CE 3.39Å; P331-M342 HydrophobicContact CG-CE 4.38Å; L338-M342 HydrophobicContact CD2-CB 4.11Å; L338-M342 HydrophobicContact CD2-CE 4.23Å; L338-M342 HydrophobicContact CD2-SD 4.42Å; D339-M342 PolarHBondContact O-N 3.33Å; D339-M342 WeakPolarHBondContact OD1-CA 3.3Å; D339-M342 WeakPolarHBondContact OD1-CB 3.38Å; D339-M342 WeakPolarHBondContact OD1-CG 3.45Å; D339-M342 PolarHBondContact OD1-N 2.95Å; M342-L344 VanDerWaalsContact C-N 3.34Å; M342-L344 PolarHBondContact O-N 3.23Å; M342-T345 WeakPolarHBondContact CA-OG1 3.26Å; M342-T345 PolarHBondContact O-N 3.25Å; M342-T345 PolarHBondContact O-OG1 3.26Å; M342-A346 WeakPolarHBondContact O-CB 3.5Å; M342-A346 PolarHBondContact O-N 3.02Å
343I85.2Confident82.4Confident0 Ų044.1 Ų44.10%025%0.253CS..Hα-helixtrans-61-43174.4-72.1164.3000111.2L338 D339 T345 A346 L347 T380 R385 Y389L338-I343 HydrophobicContact CB-CD1 4.46Å; L338-I343 HydrophobicContact CB-CG1 3.96Å; L338-I343 WeakPolarHBondContact O-CD1 3.33Å; D339-I343 WeakPolarHBondContact O-CB 3.48Å; D339-I343 WeakPolarHBondContact O-CD1 3.5Å; D339-I343 WeakPolarHBondContact O-CG1 3.46Å; D339-I343 PolarHBondContact O-N 3.29Å; I343-T345 PolarHBondContact O-N 3.3Å; I343-A346 PolarHBondContact O-N 3.37Å; I343-L347 HydrophobicContact CG2-CD1 3.96Å; I343-L347 HydrophobicContact CG2-CG 4.32Å; I343-L347 WeakPolarHBondContact O-CB 3.49Å; I343-L347 WeakPolarHBondContact O-CG 3.34Å; I343-L347 PolarHBondContact O-N 3.28Å; I343-T380 HydrophobicContact CD1-CG2 4.4Å; I343-R385 HydrophobicContact CG2-CB 4.18Å; I343-Y389 HydrophobicContact CG2-CD2 4.21Å; I343-Y389 HydrophobicContact CG2-CG 4.35Å
344L83.5Confident83Confident95 Ų9540.1 Ų40.150%0.49723%0.232SC..Hα-helixtrans-64.9-42.6-178.9-168.1120.2000111.7D340 S341 M342 T348D340-L344 PolarHBondContact O-N 3.14Å; S341-L344 PolarHBondContact O-N 3.35Å; M342-L344 VanDerWaalsContact C-N 3.34Å; M342-L344 PolarHBondContact O-N 3.23Å; L344-T348 WeakPolarHBondContact O-CG2 3.48Å; L344-T348 PolarHBondContact O-N 3.19Å; L344-T348 VanDerWaalsContact O-N 3.09Å; L344-T348 PolarHBondContact O-OG1 3.42Å
345T84.2Confident83.6Confident54 Ų5435.7 Ų35.733%0.33120%0.201SC..Hα-helixtrans-72.5-34.1177.750.20000112.5L329 S341 M342 I343 T348 L349L329-T345 VanDerWaalsContact CD2-OG1 3.23Å; L329-T345 WeakPolarHBondContact CD2-OG1 3.24Å; S341-T345 PolarHBondContact O-N 3.29Å; S341-T345 PolarHBondContact O-OG1 3.28Å; M342-T345 WeakPolarHBondContact CA-OG1 3.26Å; M342-T345 PolarHBondContact O-N 3.25Å; M342-T345 PolarHBondContact O-OG1 3.26Å; I343-T345 PolarHBondContact O-N 3.3Å; T345-T348 WeakPolarHBondContact CA-OG1 3.41Å; T345-T348 PolarHBondContact O-OG1 3.47Å; T345-L349 WeakPolarHBondContact O-CB 3.44Å; T345-L349 PolarHBondContact O-N 2.93Å
346A86.9Confident84.3Confident0 Ų032.7 Ų32.70%018%0.176CC..Hα-helixtrans-67-43.3171.900000111.5L329 M342 I343 T348 L349 L350 L375 Y389L329-A346 HydrophobicContact CD1-CB 4.18Å; M342-A346 WeakPolarHBondContact O-CB 3.5Å; M342-A346 PolarHBondContact O-N 3.02Å; I343-A346 PolarHBondContact O-N 3.37Å; A346-T348 PolarHBondContact O-N 2.93Å; A346-L349 WeakPolarHBondContact O-CB 3.49Å; A346-L349 PolarHBondContact O-N 3.2Å; A346-L350 WeakPolarHBondContact O-CB 3.05Å; A346-L350 VanDerWaalsContact O-CG 3.22Å; A346-L350 WeakPolarHBondContact O-CG 3.5Å; A346-L350 PolarHBondContact O-N 2.85Å; A346-L375 HydrophobicContact CB-CD2 4.48Å; A346-Y389 HydrophobicContact CB-CE2 3.78Å
347L87.2Confident84.6Confident18 Ų1829.4 Ų29.49%0.09416%0.158CC..Hα-helixtrans-62.1-40.9175.7-80174.9000112.4I343 R351 Y389 Y392I343-L347 HydrophobicContact CG2-CD1 3.96Å; I343-L347 HydrophobicContact CG2-CG 4.32Å; I343-L347 WeakPolarHBondContact O-CB 3.49Å; I343-L347 WeakPolarHBondContact O-CG 3.34Å; I343-L347 PolarHBondContact O-N 3.28Å; L347-R351 WeakPolarHBondContact O-CB 3.33Å; L347-R351 VanDerWaalsContact O-CG 3.25Å; L347-R351 WeakPolarHBondContact O-CG 3.44Å; L347-R351 PolarHBondContact O-N 3.41Å; L347-Y389 HydrophobicContact CD2-CD2 3.88Å; L347-Y389 HydrophobicContact CG-CD2 3.94Å; L347-Y392 HydrophobicContact CD2-CD1 4.23Å; L347-Y392 HydrophobicContact CD2-CD2 4.49Å; L347-Y392 HydrophobicContact CD2-CG 3.91Å
348T86.3Confident84.6Confident14 Ų1427.5 Ų27.59%0.08615%0.148CC..Hα-helixtrans-65.8-43.2175.954.20000111.2K288 L344 T345 A346 R351 V352K288-T348 HydrophobicContact CD-CG2 4.04Å; L344-T348 WeakPolarHBondContact O-CG2 3.48Å; L344-T348 PolarHBondContact O-N 3.19Å; L344-T348 VanDerWaalsContact O-N 3.09Å; L344-T348 PolarHBondContact O-OG1 3.42Å; T345-T348 WeakPolarHBondContact CA-OG1 3.41Å; T345-T348 PolarHBondContact O-OG1 3.47Å; A346-T348 PolarHBondContact O-N 2.93Å; T348-R351 PolarHBondContact O-N 3.38Å; T348-V352 WeakPolarHBondContact O-CB 3.21Å; T348-V352 VanDerWaalsContact O-CG2 3.29Å; T348-V352 WeakPolarHBondContact O-CG2 3.34Å; T348-V352 PolarHBondContact O-N 3.49Å
349L89.2Confident84.6Confident0 Ų029.4 Ų29.40%016%0.157CC..Hα-helixtrans-57.4-51.5173.2179.972.6000111.8L284 F322 I325 L329 T345 A346 R351 V352 L353 L375L284-L349 HydrophobicContact CD1-CB 4.43Å; L284-L349 HydrophobicContact CD1-CD1 4.12Å; L284-L349 HydrophobicContact CD2-CB 4.4Å; F322-L349 HydrophobicContact CD1-CD1 3.87Å; I325-L349 HydrophobicContact CG2-CD1 4.21Å; I325-L349 HydrophobicContact CG2-CD2 4.21Å; L329-L349 HydrophobicContact CD1-CD2 3.94Å; T345-L349 WeakPolarHBondContact O-CB 3.44Å; T345-L349 PolarHBondContact O-N 2.93Å; A346-L349 WeakPolarHBondContact O-CB 3.49Å; A346-L349 PolarHBondContact O-N 3.2Å; L349-R351 VanDerWaalsContact C-N 3.34Å; L349-R351 PolarHBondContact O-N 2.94Å; L349-V352 PolarHBondContact O-N 2.94Å; L349-L353 HydrophobicContact CD1-CD1 4.13Å; L349-L353 HydrophobicContact CD1-CG 4.41Å; L349-L353 HydrophobicContact CD2-CD1 4.49Å; L349-L353 HydrophobicContact CG-CD1 3.92Å; L349-L353 HydrophobicContact CG-CG 4.49Å; L349-L353 WeakPolarHBondContact O-CB 3.41Å; L349-L353 WeakPolarHBondContact O-CG 3.43Å; L349-L353 PolarHBondContact O-N 2.95Å; L349-L375 HydrophobicContact CD2-CD2 4.29Å
350L88.9Confident84.4Confident0 Ų026.7 Ų26.70%014%0.142CC..Hα-helixtrans-63.2-39.1-178.5-69.7173.8000112A346 L353 A354 L372 L376 Y389 Y392 F396A346-L350 WeakPolarHBondContact O-CB 3.05Å; A346-L350 VanDerWaalsContact O-CG 3.22Å; A346-L350 WeakPolarHBondContact O-CG 3.5Å; A346-L350 PolarHBondContact O-N 2.85Å; L350-L353 PolarHBondContact O-N 2.98Å; L350-A354 VanDerWaalsContact O-CB 3.29Å; L350-A354 WeakPolarHBondContact O-CB 3.28Å; L350-A354 PolarHBondContact O-N 3.4Å; L350-L372 HydrophobicContact CD2-CD1 4.14Å; L350-L372 HydrophobicContact CD2-CD2 4.44Å; L350-L372 HydrophobicContact CD2-CG 4.19Å; L350-L376 HydrophobicContact CD1-CD2 3.59Å; L350-L376 HydrophobicContact CD2-CD2 3.67Å; L350-L376 HydrophobicContact CD2-CG 4.19Å; L350-L376 HydrophobicContact CG-CD2 4.28Å; L350-Y389 HydrophobicContact CD1-CD2 4.49Å; L350-Y389 HydrophobicContact CD1-CE2 3.68Å; L350-Y392 HydrophobicContact CB-CD1 4.12Å; L350-Y392 HydrophobicContact CB-CE1 3.73Å; L350-Y392 HydrophobicContact CD1-CD1 4.36Å; L350-F396 HydrophobicContact CD2-CE2 4.36Å
351R88.4Confident84.5Confident102 Ų10228 Ų2839%0.38515%0.149SC..Hα-helixtrans-65.5-42.1174.4-74.3175.3178.4-175.12.8112.7L292 L347 T348 L349 A354 A355 Y392L292-R351 HydrophobicContact CD1-CB 3.67Å; L347-R351 WeakPolarHBondContact O-CB 3.33Å; L347-R351 VanDerWaalsContact O-CG 3.25Å; L347-R351 WeakPolarHBondContact O-CG 3.44Å; L347-R351 PolarHBondContact O-N 3.41Å; T348-R351 PolarHBondContact O-N 3.38Å; L349-R351 VanDerWaalsContact C-N 3.34Å; L349-R351 PolarHBondContact O-N 2.94Å; R351-A354 PolarHBondContact O-N 2.99Å; R351-A355 WeakPolarHBondContact O-CB 3.43Å; R351-A355 PolarHBondContact O-N 3.48Å; R351-Y392 VanDerWaalsContact CA-OH 3.32Å; R351-Y392 WeakPolarHBondContact CA-OH 3.29Å; R351-Y392 HydrophobicContact CG-CE1 4.25Å; R351-Y392 HydrophobicContact CG-CE2 3.56Å; R351-Y392 VanDerWaalsContact CG-CZ 3.43Å; R351-Y392 VanDerWaalsContact CG-OH 3.31Å; R351-Y392 WeakPolarHBondContact CG-OH 3.4Å
352V88.3Confident84.6Confident0 Ų025.5 Ų25.50%013%0.128CC..Hα-helixtrans-62.7-47.2174.5170.20000109.8L284 L287 K288 F322 T348 L349 A354 A355 F356L284-V352 HydrophobicContact CD1-CB 4.24Å; L284-V352 HydrophobicContact CD1-CG1 4.49Å; L284-V352 HydrophobicContact CD1-CG2 4.05Å; L287-V352 HydrophobicContact CB-CG1 3.89Å; L287-V352 HydrophobicContact CB-CG2 4.37Å; L287-V352 HydrophobicContact CD1-CG1 4.28Å; K288-V352 HydrophobicContact CB-CG2 3.97Å; F322-V352 HydrophobicContact CE1-CG1 4.08Å; F322-V352 HydrophobicContact CZ-CG1 4.13Å; T348-V352 WeakPolarHBondContact O-CB 3.21Å; T348-V352 VanDerWaalsContact O-CG2 3.29Å; T348-V352 WeakPolarHBondContact O-CG2 3.34Å; T348-V352 PolarHBondContact O-N 3.49Å; L349-V352 PolarHBondContact O-N 2.94Å; V352-A354 PolarHBondContact O-N 3.27Å; V352-A355 CarbonylContact O-C 3.54Å; V352-A355 WeakPolarHBondContact O-CB 3.37Å; V352-A355 PolarHBondContact O-N 3.33Å; V352-A355 VanDerWaalsContact O-N 3.12Å; V352-F356 HydrophobicContact CG1-CD2 3.69Å; V352-F356 HydrophobicContact CG1-CE2 3.71Å; V352-F356 WeakPolarHBondContact O-CD2 3.31Å; V352-F356 PolarHBondContact O-N 3.5Å
353L87.8Confident84.5Confident0 Ų028.6 Ų28.60%015%0.146CC..Hα-helixtrans-64.4-37.7178.8-70.3174.1000112.8F322 L349 L350 A355 F356 R357 F364 L372F322-L353 HydrophobicContact CB-CD2 4.45Å; F322-L353 HydrophobicContact CD1-CD2 4.19Å; F322-L353 HydrophobicContact CD2-CD2 3.8Å; F322-L353 HydrophobicContact CE1-CD2 4.37Å; F322-L353 HydrophobicContact CE2-CD2 3.99Å; F322-L353 HydrophobicContact CG-CD2 3.91Å; F322-L353 HydrophobicContact CZ-CD2 4.27Å; L349-L353 HydrophobicContact CD1-CD1 4.13Å; L349-L353 HydrophobicContact CD1-CG 4.41Å; L349-L353 HydrophobicContact CD2-CD1 4.49Å; L349-L353 HydrophobicContact CG-CD1 3.92Å; L349-L353 HydrophobicContact CG-CG 4.49Å; L349-L353 WeakPolarHBondContact O-CB 3.41Å; L349-L353 WeakPolarHBondContact O-CG 3.43Å; L349-L353 PolarHBondContact O-N 2.95Å; L350-L353 PolarHBondContact O-N 2.98Å; L353-A355 VanDerWaalsContact C-N 3.34Å; L353-F356 PolarHBondContact O-N 3.17Å; L353-R357 WeakPolarHBondContact O-CB 3.23Å; L353-R357 PolarHBondContact O-N 3.43Å; L353-F364 HydrophobicContact CB-CE1 4.29Å; L353-F364 HydrophobicContact CB-CZ 4.19Å; L353-F364 HydrophobicContact CD2-CE1 4.14Å; L353-L372 HydrophobicContact CD1-CD1 3.29Å
354A85.7Confident84.5Confident0 Ų029.5 Ų29.50%015%0.15CC..Hα-helixtrans-63.1-40.3172.500000111.6L350 R351 V352 R357 G358 F396 L400 L502L350-A354 VanDerWaalsContact O-CB 3.29Å; L350-A354 WeakPolarHBondContact O-CB 3.28Å; L350-A354 PolarHBondContact O-N 3.4Å; R351-A354 PolarHBondContact O-N 2.99Å; V352-A354 PolarHBondContact O-N 3.27Å; A354-R357 PolarHBondContact O-N 2.73Å; A354-G358 PolarHBondContact O-N 3.23Å; A354-F396 HydrophobicContact CB-CD2 4.13Å; A354-F396 HydrophobicContact CB-CE2 3.92Å; A354-L400 HydrophobicContact CB-CD1 3.95Å; A354-L502 HydrophobicContact CB-CD1 3.67Å
355A84.3Confident84.5Confident0 Ų026.7 Ų26.70%014%0.137CC..Hα-helixtrans-67.3-41.5174.500000112.1L291 L292 R351 V352 L353 R357 G358 F359 L502L291-A355 HydrophobicContact CB-CB 4.05Å; L291-A355 HydrophobicContact CD1-CB 4.2Å; L292-A355 HydrophobicContact CD2-CB 3.98Å; R351-A355 WeakPolarHBondContact O-CB 3.43Å; R351-A355 PolarHBondContact O-N 3.48Å; V352-A355 CarbonylContact O-C 3.54Å; V352-A355 WeakPolarHBondContact O-CB 3.37Å; V352-A355 PolarHBondContact O-N 3.33Å; V352-A355 VanDerWaalsContact O-N 3.12Å; L353-A355 VanDerWaalsContact C-N 3.34Å; A355-R357 VanDerWaalsContact C-N 3.33Å; A355-R357 PolarHBondContact O-N 3.29Å; A355-G358 PolarHBondContact O-N 3.26Å; A355-F359 HydrophobicContact CB-CD2 3.83Å; A355-F359 HydrophobicContact CB-CE2 3.84Å; A355-F359 WeakPolarHBondContact O-CB 3.3Å; A355-F359 WeakPolarHBondContact O-CD2 3.5Å; A355-F359 PolarHBondContact O-N 3.46Å; A355-L502 HydrophobicContact CB-CD1 4.05Å; A355-L502 HydrophobicContact CB-CD2 4.48Å
356F84.6Confident84.3Confident0 Ų028.1 Ų28.10%015%0.148CC..Iπ-helixtrans-59.5-44.8173.4-95.9-101.7000111.3L287 L291 L306 L315 L318 F322 V352 L353 I360 N361 Y362L287-F356 HydrophobicContact CD1-CE2 4.08Å; L287-F356 HydrophobicContact CD1-CZ 4.24Å; L287-F356 HydrophobicContact CD2-CE2 3.97Å; L287-F356 HydrophobicContact CD2-CZ 3.89Å; L287-F356 HydrophobicContact CG-CE2 4.42Å; L291-F356 HydrophobicContact CD1-CD2 3.39Å; L291-F356 HydrophobicContact CD1-CE2 3.28Å; L291-F356 HydrophobicContact CD1-CG 4.43Å; L291-F356 HydrophobicContact CD1-CZ 4.24Å; L306-F356 HydrophobicContact CD1-CE1 4.1Å; L306-F356 HydrophobicContact CD1-CZ 4.19Å; L315-F356 HydrophobicContact CD2-CE1 4.4Å; L318-F356 HydrophobicContact CD1-CE1 3.77Å; L318-F356 HydrophobicContact CD1-CZ 3.74Å; F322-F356 HydrophobicContact CE2-CD1 4.45Å; F322-F356 HydrophobicContact CE2-CE1 4.33Å; F322-F356 HydrophobicContact CE2-CE2 4.49Å; F322-F356 HydrophobicContact CE2-CZ 4.36Å; F322-F356 HydrophobicContact CZ-CD2 4.21Å; F322-F356 HydrophobicContact CZ-CE1 4.44Å; F322-F356 AromaticContact CZ-CE2 3.87Å; F322-F356 HydrophobicContact CZ-CE2 3.87Å; F322-F356 HydrophobicContact CZ-CZ 4.02Å; V352-F356 HydrophobicContact CG1-CD2 3.69Å; V352-F356 HydrophobicContact CG1-CE2 3.71Å; V352-F356 WeakPolarHBondContact O-CD2 3.31Å; V352-F356 PolarHBondContact O-N 3.5Å; L353-F356 PolarHBondContact O-N 3.17Å; F356-I360 HydrophobicContact CD1-CD1 3.47Å; F356-I360 VanDerWaalsContact CD1-CD1 3.47Å; F356-I360 HydrophobicContact CD2-CD1 4.4Å; F356-I360 HydrophobicContact CE1-CD1 3.59Å; F356-I360 HydrophobicContact CG-CD1 3.9Å; F356-I360 HydrophobicContact CZ-CD1 4.13Å; F356-I360 CarbonylContact O-C 3.48Å; F356-I360 WeakPolarHBondContact O-CA 3.37Å; F356-I360 VanDerWaalsContact O-CB 3.27Å; F356-I360 WeakPolarHBondContact O-CB 3.15Å; F356-I360 PolarHBondContact O-N 2.82Å; F356-N361 PolarHBondContact O-N 3.21Å; F356-N361 VanDerWaalsContact O-N 3.16Å; F356-Y362 HydrophobicContact CB-CD1 4.37Å; F356-Y362 HydrophobicContact CD1-CD1 4.41Å; F356-Y362 HydrophobicContact CD1-CG 4.27Å; F356-Y362 PolarHBondContact O-N 3.43Å
357R82.4Confident84Confident25 Ų2532.6 Ų32.69%0.09417%0.169CC..Iπ-helixtrans-65.9-44176.1-178.854.6-177.6176.9-0.5111.9L353 A354 A355 N361 Y362 N363 F364 L400 S403L353-R357 WeakPolarHBondContact O-CB 3.23Å; L353-R357 PolarHBondContact O-N 3.43Å; A354-R357 PolarHBondContact O-N 2.73Å; A355-R357 VanDerWaalsContact C-N 3.33Å; A355-R357 PolarHBondContact O-N 3.29Å; R357-N361 VanDerWaalsContact CZ-OD1 3.31Å; R357-N361 PolarHBondContact NH1-O 2.94Å; R357-N361 PolarHBondContact NH1-OD1 2.86Å; R357-N361 VanDerWaalsContact O-CA 3.27Å; R357-N361 WeakPolarHBondContact O-CA 3.32Å; R357-N361 PolarHBondContact O-N 3.12Å; R357-Y362 VanDerWaalsContact CD-O 3.23Å; R357-Y362 WeakPolarHBondContact CD-O 3.42Å; R357-Y362 PolarHBondContact NH1-O 3.11Å; R357-N363 PolarHBondContact NH1-OD1 2.84Å; R357-F364 HydrophobicContact CB-CE1 4.48Å; R357-F364 HydrophobicContact CB-CZ 4.01Å; R357-L400 HydrophobicContact CB-CD1 4.41Å; R357-L400 HydrophobicContact CB-CD2 4.45Å; R357-L400 HydrophobicContact CG-CD1 4.48Å; R357-L400 HydrophobicContact CG-CD2 3.78Å; R357-S403 VanDerWaalsContact CD-OG 3.3Å; R357-S403 WeakPolarHBondContact CD-OG 3.18Å; R357-S403 PolarHBondContact NE-OG 3.09Å
358G78.9Confident84Confident17 Ų1731.8 Ų31.818%0.17516%0.164CC..Iπ-helixtrans-72.1-42.9-175.200000114.3A354 A355A354-G358 PolarHBondContact O-N 3.23Å; A355-G358 PolarHBondContact O-N 3.26Å
359F81.5Confident84Confident41 Ų4131.2 Ų31.218%0.1816%0.161CC..Iπ-helixtrans-95.8-40-174.2-56.7-57.7000113.2R299 S303 K307 A355 L502R299-F359 VanDerWaalsContact CD-CZ 3.41Å; R299-F359 HydrophobicContact CG-CD1 4.46Å; R299-F359 HydrophobicContact CG-CD2 3.89Å; R299-F359 HydrophobicContact CG-CE2 4.14Å; R299-F359 HydrophobicContact CG-CG 4.08Å; S303-F359 WeakPolarHBondContact OG-CB 3.39Å; K307-F359 WeakPolarHBondContact CE-O 3.25Å; K307-F359 PolarHBondContact NZ-O 2.94Å; A355-F359 HydrophobicContact CB-CD2 3.83Å; A355-F359 HydrophobicContact CB-CE2 3.84Å; A355-F359 WeakPolarHBondContact O-CB 3.3Å; A355-F359 WeakPolarHBondContact O-CD2 3.5Å; A355-F359 PolarHBondContact O-N 3.46Å; F359-L502 HydrophobicContact CE2-CD2 3.76Å; F359-L502 HydrophobicContact CZ-CD2 3.87Å
360I78.5Confident83.7Confident9 Ų936.6 Ų36.65%0.04619%0.186CC..Iπ-helixtrans-94-19.7-176-58.7160.5000111.3L306 K307 F356L306-I360 HydrophobicContact CB-CD1 3.9Å; L306-I360 HydrophobicContact CB-CG1 4.13Å; L306-I360 HydrophobicContact CB-CG2 3.95Å; L306-I360 HydrophobicContact CD1-CD1 3.47Å; L306-I360 VanDerWaalsContact CD1-CD1 3.47Å; L306-I360 HydrophobicContact CD1-CG1 4.48Å; L306-I360 HydrophobicContact CG-CD1 4.34Å; K307-I360 HydrophobicContact CG-CG2 4.26Å; K307-I360 WeakPolarHBondContact CG-O 3.15Å; F356-I360 HydrophobicContact CD1-CD1 3.47Å; F356-I360 VanDerWaalsContact CD1-CD1 3.47Å; F356-I360 HydrophobicContact CD2-CD1 4.4Å; F356-I360 HydrophobicContact CE1-CD1 3.59Å; F356-I360 HydrophobicContact CG-CD1 3.9Å; F356-I360 HydrophobicContact CZ-CD1 4.13Å; F356-I360 CarbonylContact O-C 3.48Å; F356-I360 WeakPolarHBondContact O-CA 3.37Å; F356-I360 VanDerWaalsContact O-CB 3.27Å; F356-I360 WeakPolarHBondContact O-CB 3.15Å; F356-I360 PolarHBondContact O-N 2.82Å
361N80Confident83.5Confident92 Ų9239.1 Ų39.149%0.49220%0.197SC..  trans6131.5-168.8-164.740.6000112.5F356 R357 N363F356-N361 PolarHBondContact O-N 3.21Å; F356-N361 VanDerWaalsContact O-N 3.16Å; R357-N361 VanDerWaalsContact CZ-OD1 3.31Å; R357-N361 PolarHBondContact NH1-O 2.94Å; R357-N361 PolarHBondContact NH1-OD1 2.86Å; R357-N361 VanDerWaalsContact O-CA 3.27Å; R357-N361 WeakPolarHBondContact O-CA 3.32Å; R357-N361 PolarHBondContact O-N 3.12Å; N361-N363 PolarHBondContact O-N 3.04Å
362Y82.1Confident83.4Confident20 Ų2034.2 Ų34.28%0.07818%0.179CC..PPolyproline II helixtrans-58131.5176.9179-116.1000110.5L315 S319 F356 R357 F364 P365L315-Y362 HydrophobicContact CB-CE2 4.45Å; L315-Y362 HydrophobicContact CD2-CD2 4.07Å; L315-Y362 HydrophobicContact CD2-CE2 4.38Å; S319-Y362 WeakPolarHBondContact CB-OH 3.5Å; F356-Y362 HydrophobicContact CB-CD1 4.37Å; F356-Y362 HydrophobicContact CD1-CD1 4.41Å; F356-Y362 HydrophobicContact CD1-CG 4.27Å; F356-Y362 PolarHBondContact O-N 3.43Å; R357-Y362 VanDerWaalsContact CD-O 3.23Å; R357-Y362 WeakPolarHBondContact CD-O 3.42Å; R357-Y362 PolarHBondContact NH1-O 3.11Å; Y362-F364 AromaticContact CD1-CD1 3.59Å; Y362-F364 HydrophobicContact CD1-CD1 3.59Å; Y362-F364 AromaticContact CD1-CE1 3.77Å; Y362-F364 HydrophobicContact CD1-CE1 3.77Å; Y362-F364 AromaticContact CE1-CD1 3.68Å; Y362-F364 HydrophobicContact CE1-CD1 3.68Å; Y362-F364 HydrophobicContact CE1-CE1 4.19Å; Y362-P365 WeakPolarHBondContact OH-CD 3.44Å
363N81.6Confident83.3Confident114 Ų11435.3 Ų35.361%0.6118%0.184SC*.PPolyproline II helixtrans-94.6123.7175.2-71.7-28000108.4R357 N361R357-N363 PolarHBondContact NH1-OD1 2.84Å; N361-N363 PolarHBondContact O-N 3.04Å
364F84.4Confident83.1Confident18 Ų1839.5 Ų39.58%0.07921%0.206CC..PPolyproline II helixtrans-69.7127.1-179.6-59.4-30.8000109.9L353 R357 Y362 L368 F396 S403L353-F364 HydrophobicContact CB-CE1 4.29Å; L353-F364 HydrophobicContact CB-CZ 4.19Å; L353-F364 HydrophobicContact CD2-CE1 4.14Å; R357-F364 HydrophobicContact CB-CE1 4.48Å; R357-F364 HydrophobicContact CB-CZ 4.01Å; Y362-F364 AromaticContact CD1-CD1 3.59Å; Y362-F364 HydrophobicContact CD1-CD1 3.59Å; Y362-F364 AromaticContact CD1-CE1 3.77Å; Y362-F364 HydrophobicContact CD1-CE1 3.77Å; Y362-F364 AromaticContact CE1-CD1 3.68Å; Y362-F364 HydrophobicContact CE1-CD1 3.68Å; Y362-F364 HydrophobicContact CE1-CE1 4.19Å; F364-L368 HydrophobicContact CB-CD2 3.61Å; F364-L368 HydrophobicContact CD1-CD2 3.8Å; F364-L368 HydrophobicContact CD2-CD2 4.29Å; F364-L368 HydrophobicContact CG-CD2 3.64Å; F364-F396 HydrophobicContact CE2-CE1 4.42Å; F364-F396 HydrophobicContact CE2-CZ 4.03Å; F364-F396 HydrophobicContact CZ-CZ 4.22Å; F364-S403 WeakPolarHBondContact CD2-O 3.32Å; F364-S403 VanDerWaalsContact CE2-CB 3.5Å
365P83.7Confident83.2Confident36 Ų3639.5 Ų39.523%0.23421%0.206CC..PPolyproline II helixtrans-61.1151.5172.921.6-28.9000110.2I323 Y362 E367 L368 S369I323-P365 HydrophobicContact CD1-CG 4.3Å; Y362-P365 WeakPolarHBondContact OH-CD 3.44Å; P365-E367 VanDerWaalsContact C-N 3.26Å; P365-E367 PolarHBondContact O-N 3.23Å; P365-L368 HydrophobicContact CG-CB 3.78Å; P365-L368 WeakPolarHBondContact O-CB 3.42Å; P365-L368 PolarHBondContact O-N 3.32Å; P365-S369 PolarHBondContact O-N 3.01Å
366P78.9Confident83.3Confident84 Ų8439.5 Ų39.555%0.54521%0.206SC..Hα-helixtrans-57.7-39.1-171.821.2-32.5000112.3L368 S369 Q370 T406P366-L368 PolarHBondContact O-N 2.92Å; P366-S369 WeakPolarHBondContact CA-OG 3.45Å; P366-S369 PolarHBondContact O-N 3.19Å; P366-S369 PolarHBondContact O-OG 3.38Å; P366-Q370 WeakPolarHBondContact O-CG 3.5Å; P366-Q370 PolarHBondContact O-N 3.49Å; P366-T406 HydrophobicContact CB-CG2 4.21Å
367E82.3Confident83.3Confident95 Ų9541 Ų4144%0.44422%0.215SC..Hα-helixtrans-61.3-43.1175.9-169.1-173.5162.200112.6I323 P365 K371I323-E367 HydrophobicContact CD1-CB 4.38Å; I323-E367 HydrophobicContact CG2-CG 4.46Å; I323-E367 WeakPolarHBondContact CG2-OE1 3.41Å; P365-E367 VanDerWaalsContact C-N 3.26Å; P365-E367 PolarHBondContact O-N 3.23Å; E367-K371 HydrophobicContact CG-CD 4.34Å; E367-K371 WeakPolarHBondContact O-CG 3.32Å; E367-K371 PolarHBondContact O-N 3.43Å; E367-K371 VanDerWaalsContact O-N 3.17Å; E367-K371 WeakPolarHBondContact OE1-CE 3.17Å; E367-K371 IonicContact OE1-NZ 3.57Å; E367-K371 PolarHBondContact OE1-NZ 3.46Å
368L86.3Confident83.3Confident0 Ų040.7 Ų40.70%021%0.214CC..Hα-helixtrans-66.1-42.7176.9-176.1139.3000110.8F322 I323 F364 P365 P366 Q370 K371 L372F322-L368 HydrophobicContact CB-CD1 3.44Å; F322-L368 VanDerWaalsContact CB-CD1 3.44Å; F322-L368 HydrophobicContact CG-CD1 4.43Å; I323-L368 HydrophobicContact CD1-CB 4.41Å; I323-L368 HydrophobicContact CG1-CB 3.82Å; I323-L368 HydrophobicContact CG1-CD1 4.05Å; I323-L368 HydrophobicContact CG1-CG 4.41Å; F364-L368 HydrophobicContact CB-CD2 3.61Å; F364-L368 HydrophobicContact CD1-CD2 3.8Å; F364-L368 HydrophobicContact CD2-CD2 4.29Å; F364-L368 HydrophobicContact CG-CD2 3.64Å; P365-L368 HydrophobicContact CG-CB 3.78Å; P365-L368 WeakPolarHBondContact O-CB 3.42Å; P365-L368 PolarHBondContact O-N 3.32Å; P366-L368 PolarHBondContact O-N 2.92Å; L368-Q370 PolarHBondContact O-N 3.23Å; L368-K371 PolarHBondContact O-N 2.89Å; L368-L372 HydrophobicContact CD2-CD1 4.17Å; L368-L372 WeakPolarHBondContact O-CB 3.39Å; L368-L372 PolarHBondContact O-N 3.24Å
369S85.3Confident83.5Confident2 Ų245.5 Ų45.51%0.01423%0.227CC..Hα-helixtrans-61.9-41.1-179.9690000112.8P365 P366 L372 L373 T406P365-S369 PolarHBondContact O-N 3.01Å; P366-S369 WeakPolarHBondContact CA-OG 3.45Å; P366-S369 PolarHBondContact O-N 3.19Å; P366-S369 PolarHBondContact O-OG 3.38Å; S369-L372 PolarHBondContact O-N 2.79Å; S369-L373 WeakPolarHBondContact O-CB 3.29Å; S369-L373 PolarHBondContact O-N 3.17Å; S369-T406 VanDerWaalsContact OG-CG2 3.23Å; S369-T406 WeakPolarHBondContact OG-CG2 3.26Å
370Q83.4Confident83.6Confident114 Ų11444.4 Ų44.453%0.53322%0.224SC..Hα-helixtrans-66-48.8177.1-72.2178.7-12.800111.5P366 L368 L372 L373 I374 T406P366-Q370 WeakPolarHBondContact O-CG 3.5Å; P366-Q370 PolarHBondContact O-N 3.49Å; L368-Q370 PolarHBondContact O-N 3.23Å; Q370-L372 VanDerWaalsContact C-N 3.31Å; Q370-L372 PolarHBondContact O-N 3.45Å; Q370-L373 PolarHBondContact O-N 2.88Å; Q370-I374 WeakPolarHBondContact O-CG1 3.25Å; Q370-I374 PolarHBondContact O-N 2.9Å; Q370-I374 VanDerWaalsContact O-N 3.15Å; Q370-T406 HydrophobicContact CG-CG2 3.84Å
371K84.9Confident83.6Confident52 Ų5246.7 Ų46.723%0.22624%0.238CC..Hα-helixtrans-62.7-39.1177.8-71.8176.6174.51760111.7I323 T326 S327 I330 E367 L368 I374 L375I323-K371 HydrophobicContact CG2-CD 4.25Å; T326-K371 HydrophobicContact CG2-CB 3.86Å; S327-K371 WeakPolarHBondContact OG-CD 3.42Å; S327-K371 WeakPolarHBondContact OG-CE 3.41Å; S327-K371 PolarHBondContact OG-NZ 2.99Å; I330-K371 HydrophobicContact CD1-CB 3.98Å; I330-K371 HydrophobicContact CD1-CG 4.46Å; I330-K371 WeakPolarHBondContact CD1-O 3.21Å; E367-K371 HydrophobicContact CG-CD 4.34Å; E367-K371 WeakPolarHBondContact O-CG 3.32Å; E367-K371 PolarHBondContact O-N 3.43Å; E367-K371 VanDerWaalsContact O-N 3.17Å; E367-K371 WeakPolarHBondContact OE1-CE 3.17Å; E367-K371 IonicContact OE1-NZ 3.57Å; E367-K371 PolarHBondContact OE1-NZ 3.46Å; L368-K371 PolarHBondContact O-N 2.89Å; K371-I374 PolarHBondContact O-N 2.97Å; K371-L375 PolarHBondContact O-N 3.44Å
372L87.1Confident83.3Confident0 Ų045.1 Ų45.10%023%0.232CC..Hα-helixtrans-69.9-36.3179.2-169.4143000112.2L350 L353 L368 S369 Q370 I374 L375 L376 F396 L404L350-L372 HydrophobicContact CD2-CD1 4.14Å; L350-L372 HydrophobicContact CD2-CD2 4.44Å; L350-L372 HydrophobicContact CD2-CG 4.19Å; L353-L372 HydrophobicContact CD1-CD1 3.29Å; L368-L372 HydrophobicContact CD2-CD1 4.17Å; L368-L372 WeakPolarHBondContact O-CB 3.39Å; L368-L372 PolarHBondContact O-N 3.24Å; S369-L372 PolarHBondContact O-N 2.79Å; Q370-L372 VanDerWaalsContact C-N 3.31Å; Q370-L372 PolarHBondContact O-N 3.45Å; L372-I374 VanDerWaalsContact C-N 3.34Å; L372-L375 PolarHBondContact O-N 2.89Å; L372-L376 HydrophobicContact CD2-CD1 3.36Å; L372-L376 HydrophobicContact CD2-CG 3.96Å; L372-L376 HydrophobicContact CG-CD1 4.4Å; L372-L376 WeakPolarHBondContact O-CB 3.31Å; L372-L376 VanDerWaalsContact O-CG 3.31Å; L372-L376 WeakPolarHBondContact O-CG 3.29Å; L372-L376 PolarHBondContact O-N 2.66Å; L372-F396 HydrophobicContact CD1-CZ 4.37Å; L372-F396 HydrophobicContact CD2-CD1 4.28Å; L372-F396 HydrophobicContact CD2-CE1 3.5Å; L372-F396 HydrophobicContact CD2-CZ 3.97Å; L372-L404 HydrophobicContact CD2-CD2 3.67Å
373L85.4Confident83Confident22 Ų2244.9 Ų44.912%0.11523%0.233CC..Hα-helixtrans-60-45.8171.6-176.763.1000111S369 Q370 L375 L376 T377 L397 L404 I429 I433S369-L373 WeakPolarHBondContact O-CB 3.29Å; S369-L373 PolarHBondContact O-N 3.17Å; Q370-L373 PolarHBondContact O-N 2.88Å; L373-L375 VanDerWaalsContact C-N 3.35Å; L373-L375 PolarHBondContact O-N 3.14Å; L373-L376 PolarHBondContact O-N 3.44Å; L373-T377 HydrophobicContact CD1-CG2 4.34Å; L373-T377 WeakPolarHBondContact O-CG2 3.36Å; L373-T377 PolarHBondContact O-N 3.46Å; L373-T377 VanDerWaalsContact O-N 3.1Å; L373-T377 PolarHBondContact O-OG1 2.94Å; L373-L397 HydrophobicContact CD1-CD2 4Å; L373-L404 HydrophobicContact CB-CD2 4.17Å; L373-I429 HydrophobicContact CD1-CG2 4.17Å; L373-I429 HydrophobicContact CD2-CB 4.42Å; L373-I429 HydrophobicContact CD2-CG1 4.11Å; L373-I429 HydrophobicContact CD2-CG2 4.04Å; L373-I433 HydrophobicContact CD1-CD1 4.49Å; L373-I433 HydrophobicContact CD1-CG1 4.27Å
374I84.9Confident82.6Confident88 Ų8844.8 Ų44.845%0.45123%0.229SC..Hα-helixtrans-59.4-46.9176.2-65165.1000110.4I330 Q370 K371 L372 T377 H378I330-I374 HydrophobicContact CD1-CG2 4.44Å; I330-I374 HydrophobicContact CG2-CG2 4.06Å; Q370-I374 WeakPolarHBondContact O-CG1 3.25Å; Q370-I374 PolarHBondContact O-N 2.9Å; Q370-I374 VanDerWaalsContact O-N 3.15Å; K371-I374 PolarHBondContact O-N 2.97Å; L372-I374 VanDerWaalsContact C-N 3.34Å; I374-T377 PolarHBondContact O-N 3.48Å; I374-T377 PolarHBondContact O-OG1 3.4Å; I374-H378 PolarHBondContact O-N 2.93Å; I374-H378 VanDerWaalsContact O-N 3.14Å
375L87.2Confident82.2Confident0 Ų049.6 Ų49.60%025%0.247CC..Hα-helixtrans-62.6-44.9179.6-177.763.2000112.8T326 L329 I330 L338 A346 L349 K371 L372 L373 T377 H378 Y389T326-L375 HydrophobicContact CG2-CD2 4.08Å; L329-L375 HydrophobicContact CB-CD1 4.24Å; I330-L375 HydrophobicContact CD1-CB 4.43Å; I330-L375 HydrophobicContact CG1-CB 4.12Å; I330-L375 HydrophobicContact CG1-CD1 4.19Å; L338-L375 HydrophobicContact CD1-CD1 4.33Å; A346-L375 HydrophobicContact CB-CD2 4.48Å; L349-L375 HydrophobicContact CD2-CD2 4.29Å; K371-L375 PolarHBondContact O-N 3.44Å; L372-L375 PolarHBondContact O-N 2.89Å; L373-L375 VanDerWaalsContact C-N 3.35Å; L373-L375 PolarHBondContact O-N 3.14Å; L375-T377 VanDerWaalsContact C-N 3.31Å; L375-T377 PolarHBondContact O-N 2.79Å; L375-H378 WeakPolarHBondContact O-CB 3.39Å; L375-H378 PolarHBondContact O-N 3.48Å; L375-Y389 PolarHBondContact O-OH 3.03Å
376L86.2Confident82.2Confident0 Ų047.9 Ų47.90%024%0.236CC..Hα-helixtrans-63.9-35.8179.5-75.9174.4000112.7L350 L372 L373 S393 F396 L397L350-L376 HydrophobicContact CD1-CD2 3.59Å; L350-L376 HydrophobicContact CD2-CD2 3.67Å; L350-L376 HydrophobicContact CD2-CG 4.19Å; L350-L376 HydrophobicContact CG-CD2 4.28Å; L372-L376 HydrophobicContact CD2-CD1 3.36Å; L372-L376 HydrophobicContact CD2-CG 3.96Å; L372-L376 HydrophobicContact CG-CD1 4.4Å; L372-L376 WeakPolarHBondContact O-CB 3.31Å; L372-L376 VanDerWaalsContact O-CG 3.31Å; L372-L376 WeakPolarHBondContact O-CG 3.29Å; L372-L376 PolarHBondContact O-N 2.66Å; L373-L376 PolarHBondContact O-N 3.44Å; L376-S393 WeakPolarHBondContact CD2-OG 3.22Å; L376-F396 HydrophobicContact CD1-CD1 3.47Å; L376-F396 VanDerWaalsContact CD1-CD1 3.47Å; L376-F396 HydrophobicContact CD1-CE1 3.92Å; L376-F396 HydrophobicContact CD1-CG 4.24Å; L376-F396 HydrophobicContact CD2-CB 4.31Å; L376-F396 HydrophobicContact CD2-CD1 4.37Å; L376-F396 HydrophobicContact CD2-CG 4.37Å; L376-L397 HydrophobicContact CB-CD1 4.36Å; L376-L397 HydrophobicContact CB-CD2 4.08Å; L376-L397 HydrophobicContact CB-CG 4.27Å; L376-L397 HydrophobicContact CD1-CD2 3.48Å; L376-L397 VanDerWaalsContact CD1-CD2 3.48Å; L376-L397 HydrophobicContact CD1-CG 3.89Å; L376-L397 HydrophobicContact CG-CD2 4.43Å
377T84Confident82.2Confident31 Ų3144.7 Ų44.719%0.1921%0.214CC..THydrogen-bonded Turntrans-89.53.4179.762.60000114.1L373 I374 L375 L397 W436L373-T377 HydrophobicContact CD1-CG2 4.34Å; L373-T377 WeakPolarHBondContact O-CG2 3.36Å; L373-T377 PolarHBondContact O-N 3.46Å; L373-T377 VanDerWaalsContact O-N 3.1Å; L373-T377 PolarHBondContact O-OG1 2.94Å; I374-T377 PolarHBondContact O-N 3.48Å; I374-T377 PolarHBondContact O-OG1 3.4Å; L375-T377 VanDerWaalsContact C-N 3.31Å; L375-T377 PolarHBondContact O-N 2.79Å; T377-L397 HydrophobicContact CG2-CD1 4.47Å; T377-W436 HydrophobicContact CG2-CB 4.17Å; T377-W436 HydrophobicContact CG2-CG 4.14Å
378H83.1Confident82.2Confident19 Ų1945.2 Ų45.29%0.08822%0.216CC..SBendtrans-70.3150.9-176.7-158.5-77.2000112.7I336 L338 I374 L375I336-H378 PolarHBondContact O-CE1 2.89Å; L338-H378 HydrophobicContact CD1-CB 4.02Å; I374-H378 PolarHBondContact O-N 2.93Å; I374-H378 VanDerWaalsContact O-N 3.14Å; L375-H378 WeakPolarHBondContact O-CB 3.39Å; L375-H378 PolarHBondContact O-N 3.48Å
379R82.2Confident82.1Confident119 Ų11945.3 Ų45.345%0.44922%0.217SC..  trans-65.3134.8172.8-63.7-172.6-178.2-138.4-10.8110.6P337 L338 R439P337-R379 WeakPolarHBondContact CA-O 3.45Å; P337-R379 HydrophobicContact CB-CB 4.44Å; L338-R379 PolarHBondContact N-O 3.38Å; R379-R439 VanDerWaalsContact CD-NH2 3.3Å; R379-R439 VanDerWaalsContact CG-NH1 3.34Å
380T83.2Confident82.1Confident17 Ų1745.5 Ų45.510%0.10422%0.217CC..BIsolated β-bridgetrans-107156.5171.559.70000111.1L338 I343 Y389L338-T380 HydrophobicContact CD1-CG2 4.4Å; I343-T380 HydrophobicContact CD1-CG2 4.4Å; T380-Y389 HydrophobicContact CG2-CD1 3.37Å; T380-Y389 HydrophobicContact CG2-CE1 3.9Å; T380-Y389 HydrophobicContact CG2-CG 4.11Å
381V79.1Confident81.9Confident58 Ų5841.1 Ų41.135%0.35220%0.199SC..  trans-62.8149.1165.6173.60000109.5P337 L338 S383P337-V381 HydrophobicContact CB-CG2 3.87Å; P337-V381 HydrophobicContact CG-CG2 3.84Å; L338-V381 VanDerWaalsContact O-CG2 3.26Å; L338-V381 WeakPolarHBondContact O-CG2 3.5Å; L338-V381 PolarHBondContact O-N 3.4Å; L338-V381 VanDerWaalsContact O-N 3.09Å; V381-S383 PolarHBondContact O-N 3.29Å
382V74.2Confident82Confident58 Ų5838.9 Ų38.935%0.35219%0.19SC..SBendtrans-76.878.9176.5-155.90000108.9F447 L450V382-F447 HydrophobicContact CB-CE1 4.35Å; V382-F447 HydrophobicContact CG1-CD1 3.54Å; V382-F447 HydrophobicContact CG1-CE1 3.73Å; V382-F447 HydrophobicContact CG1-CG 4.33Å; V382-F447 HydrophobicContact CG2-CE1 4.35Å; V382-L450 HydrophobicContact CB-CD1 3.9Å; V382-L450 HydrophobicContact CG1-CD1 3.31Å
383S75.4Confident82Confident16 Ų1638.9 Ų38.911%0.11219%0.19CC..SBendtrans-129.3163.9177.875.80000110.8D340 V381 R385 G386 L387D340-S383 WeakPolarHBondContact OD1-CB 3.41Å; D340-S383 PolarHBondContact OD1-OG 3.26Å; V381-S383 PolarHBondContact O-N 3.29Å; S383-R385 PolarHBondContact O-N 2.97Å; S383-R385 PolarHBondContact OG-N 2.82Å; S383-G386 WeakPolarHBondContact O-CA 3.38Å; S383-G386 PolarHBondContact O-N 3.46Å; S383-G386 VanDerWaalsContact O-N 3.08Å; S383-G386 PolarHBondContact OG-N 3.29Å; S383-L387 PolarHBondContact O-N 3.26Å
384E73.1Confident82Confident112 Ų11238.2 Ų38.252%0.52319%0.186SC..Hα-helixtrans-57.7-35.2173.9-65.4-173.8161.600112.2L387 Q388 T470E384-L387 PolarHBondContact O-N 2.95Å; E384-Q388 PolarHBondContact O-N 3.24Å; E384-T470 HydrophobicContact CG-CG2 4.44Å
385R77.1Confident82Confident119 Ų11934 Ų3445%0.44916%0.164SC..Hα-helixtrans-71.6-37.3175.7-65.3-178.7-179.6-178.63.8111.7I343 S383 L387 Q388 Y389I343-R385 HydrophobicContact CG2-CB 4.18Å; S383-R385 PolarHBondContact O-N 2.97Å; S383-R385 PolarHBondContact OG-N 2.82Å; R385-L387 VanDerWaalsContact C-N 3.3Å; R385-L387 PolarHBondContact O-N 3.23Å; R385-Q388 PolarHBondContact O-N 3.4Å; R385-Y389 PolarHBondContact O-N 3.44Å
386G82.2Confident81.9Confident0 Ų034 Ų340%016%0.164CC..Hα-helixtrans-57.6-42.6171.200000112S383 Q388 Y389 I390S383-G386 WeakPolarHBondContact O-CA 3.38Å; S383-G386 PolarHBondContact O-N 3.46Å; S383-G386 VanDerWaalsContact O-N 3.08Å; S383-G386 PolarHBondContact OG-N 3.29Å; G386-Q388 PolarHBondContact O-N 3.35Å; G386-Y389 WeakPolarHBondContact O-CB 3.44Å; G386-Y389 PolarHBondContact O-N 2.95Å; G386-I390 VanDerWaalsContact O-CG1 3.32Å; G386-I390 WeakPolarHBondContact O-CG1 3.48Å; G386-I390 PolarHBondContact O-N 3.46Å
387L80.6Confident81.8Confident16 Ų1634 Ų348%0.08417%0.165CC..Hα-helixtrans-61.9-42.8175.6-65.3170.1000112.4S383 E384 R385 Y389 I390 S391 F447 Y473S383-L387 PolarHBondContact O-N 3.26Å; E384-L387 PolarHBondContact O-N 2.95Å; R385-L387 VanDerWaalsContact C-N 3.3Å; R385-L387 PolarHBondContact O-N 3.23Å; L387-Y389 VanDerWaalsContact C-N 3.34Å; L387-I390 PolarHBondContact O-N 3.09Å; L387-S391 PolarHBondContact O-N 3.34Å; L387-S391 VanDerWaalsContact O-N 3.08Å; L387-S391 PolarHBondContact O-OG 3.4Å; L387-F447 HydrophobicContact CD2-CB 4.19Å; L387-F447 HydrophobicContact CD2-CD1 3.59Å; L387-F447 HydrophobicContact CD2-CE1 4.35Å; L387-F447 HydrophobicContact CD2-CG 4.2Å; L387-Y473 HydrophobicContact CD2-CD1 3.61Å; L387-Y473 HydrophobicContact CD2-CE1 4.06Å
388Q80.5Confident81.6Confident107 Ų10732.7 Ų32.750%0.516%0.156SC..Hα-helixtrans-66.2-36.1175.1-68.6179.8300112.4E384 R385 G386 S391 Y392E384-Q388 PolarHBondContact O-N 3.24Å; R385-Q388 PolarHBondContact O-N 3.4Å; G386-Q388 PolarHBondContact O-N 3.35Å; Q388-S391 PolarHBondContact O-OG 2.8Å; Q388-Y392 WeakPolarHBondContact O-CB 3.47Å; Q388-Y392 PolarHBondContact O-N 3.49Å
389Y85.4Confident81.4Confident2 Ų231.8 Ų31.81%0.00815%0.152CC..Hα-helixtrans-62.5-46.3173.5-176.5-95.5000111.3L338 I343 A346 L347 L350 L375 T380 R385 G386 L387 S391 Y392 S393L338-Y389 HydrophobicContact CD1-CE1 4.25Å; I343-Y389 HydrophobicContact CG2-CD2 4.21Å; I343-Y389 HydrophobicContact CG2-CG 4.35Å; A346-Y389 HydrophobicContact CB-CE2 3.78Å; L347-Y389 HydrophobicContact CD2-CD2 3.88Å; L347-Y389 HydrophobicContact CG-CD2 3.94Å; L350-Y389 HydrophobicContact CD1-CD2 4.49Å; L350-Y389 HydrophobicContact CD1-CE2 3.68Å; L375-Y389 PolarHBondContact O-OH 3.03Å; T380-Y389 HydrophobicContact CG2-CD1 3.37Å; T380-Y389 HydrophobicContact CG2-CE1 3.9Å; T380-Y389 HydrophobicContact CG2-CG 4.11Å; R385-Y389 PolarHBondContact O-N 3.44Å; G386-Y389 WeakPolarHBondContact O-CB 3.44Å; G386-Y389 PolarHBondContact O-N 2.95Å; L387-Y389 VanDerWaalsContact C-N 3.34Å; Y389-S391 PolarHBondContact O-N 2.82Å; Y389-Y392 PolarHBondContact O-N 3.29Å; Y389-S393 WeakPolarHBondContact CE1-OG 3.35Å; Y389-S393 VanDerWaalsContact O-CB 3.25Å; Y389-S393 WeakPolarHBondContact O-CB 3.16Å; Y389-S393 PolarHBondContact O-N 2.98Å; Y389-S393 PolarHBondContact O-OG 3.32Å
390I84.1Confident81.2Confident6 Ų626.2 Ų26.23%0.03113%0.131CC..Hα-helixtrans-60.7-45.7178.5-67.2163.4000110.9G386 L387 Y392 S393 L394 W436 L440 F447 Y473G386-I390 VanDerWaalsContact O-CG1 3.32Å; G386-I390 WeakPolarHBondContact O-CG1 3.48Å; G386-I390 PolarHBondContact O-N 3.46Å; L387-I390 PolarHBondContact O-N 3.09Å; I390-Y392 PolarHBondContact O-N 2.88Å; I390-S393 PolarHBondContact O-N 3.4Å; I390-L394 WeakPolarHBondContact O-CB 3.36Å; I390-L394 PolarHBondContact O-N 2.84Å; I390-W436 HydrophobicContact CG2-CH2 4.24Å; I390-W436 HydrophobicContact CG2-CZ2 4.17Å; I390-L440 HydrophobicContact CD1-CD2 4.09Å; I390-L440 HydrophobicContact CG2-CD1 3.63Å; I390-L440 HydrophobicContact CG2-CD2 4.16Å; I390-F447 HydrophobicContact CD1-CE1 4Å; I390-F447 HydrophobicContact CD1-CZ 4Å; I390-Y473 HydrophobicContact CB-CG 4.37Å; I390-Y473 HydrophobicContact CD1-CD1 4.31Å; I390-Y473 HydrophobicContact CG2-CD1 4.13Å; I390-Y473 HydrophobicContact CG2-CD2 3.86Å; I390-Y473 HydrophobicContact CG2-CG 3.65Å
391S81Confident80.9Confident22 Ų2228.6 Ų28.615%0.15414%0.138CC..Hα-helixtrans-67-36.8179.667.10000112.7L387 Q388 Y389 A395L387-S391 PolarHBondContact O-N 3.34Å; L387-S391 VanDerWaalsContact O-N 3.08Å; L387-S391 PolarHBondContact O-OG 3.4Å; Q388-S391 PolarHBondContact O-OG 2.8Å; Y389-S391 PolarHBondContact O-N 2.82Å; S391-A395 PolarHBondContact O-N 2.88Å; S391-A395 VanDerWaalsContact O-N 3.13Å
392Y86.3Confident80.6Confident5 Ų528.9 Ų28.92%0.0214%0.143CC..Hα-helixtrans-67-45.7173.4-163.8-84000111.7L347 L350 R351 Q388 Y389 I390 L394 A395 F396 L499 L500L347-Y392 HydrophobicContact CD2-CD1 4.23Å; L347-Y392 HydrophobicContact CD2-CD2 4.49Å; L347-Y392 HydrophobicContact CD2-CG 3.91Å; L350-Y392 HydrophobicContact CB-CD1 4.12Å; L350-Y392 HydrophobicContact CB-CE1 3.73Å; L350-Y392 HydrophobicContact CD1-CD1 4.36Å; R351-Y392 VanDerWaalsContact CA-OH 3.32Å; R351-Y392 WeakPolarHBondContact CA-OH 3.29Å; R351-Y392 HydrophobicContact CG-CE1 4.25Å; R351-Y392 HydrophobicContact CG-CE2 3.56Å; R351-Y392 VanDerWaalsContact CG-CZ 3.43Å; R351-Y392 VanDerWaalsContact CG-OH 3.31Å; R351-Y392 WeakPolarHBondContact CG-OH 3.4Å; Q388-Y392 WeakPolarHBondContact O-CB 3.47Å; Q388-Y392 PolarHBondContact O-N 3.49Å; Y389-Y392 PolarHBondContact O-N 3.29Å; I390-Y392 PolarHBondContact O-N 2.88Å; Y392-L394 VanDerWaalsContact C-N 3.33Å; Y392-L394 PolarHBondContact O-N 3.4Å; Y392-A395 PolarHBondContact O-N 3.3Å; Y392-F396 HydrophobicContact CE1-CD2 4.11Å; Y392-F396 WeakPolarHBondContact O-CB 3.42Å; Y392-F396 PolarHBondContact O-N 3.19Å; Y392-L499 VanDerWaalsContact CD2-O 3.31Å; Y392-L499 WeakPolarHBondContact CD2-O 3.26Å; Y392-L500 HydrophobicContact CD1-CD2 4.37Å; Y392-L500 HydrophobicContact CD2-CD2 4.49Å; Y392-L500 HydrophobicContact CE1-CD2 3.83Å; Y392-L500 HydrophobicContact CE2-CB 4.43Å; Y392-L500 HydrophobicContact CE2-CD2 4.01Å; Y392-L500 WeakPolarHBondContact CE2-O 3.2Å; Y392-L500 PolarHBondContact OH-O 3.16Å
393S87.1Confident80.4Confident0 Ų026.5 Ų26.50%013%0.129CC..Hα-helixtrans-62.2-40.9178.5-67.50000111.6L376 Y389 I390 F396 L397L376-S393 WeakPolarHBondContact CD2-OG 3.22Å; Y389-S393 WeakPolarHBondContact CE1-OG 3.35Å; Y389-S393 VanDerWaalsContact O-CB 3.25Å; Y389-S393 WeakPolarHBondContact O-CB 3.16Å; Y389-S393 PolarHBondContact O-N 2.98Å; Y389-S393 PolarHBondContact O-OG 3.32Å; I390-S393 PolarHBondContact O-N 3.4Å; S393-F396 PolarHBondContact O-N 2.83Å; S393-L397 WeakPolarHBondContact O-CB 3.01Å; S393-L397 VanDerWaalsContact O-CG 3.26Å; S393-L397 WeakPolarHBondContact O-CG 3.48Å; S393-L397 PolarHBondContact O-N 3.35Å
394L84.9Confident80.3Confident7 Ų725.9 Ų25.94%0.03713%0.125CC..Hα-helixtrans-55.3-53.2171.1-176.289.4000111.1I390 Y392 F396 L397 I398 W436 L437 L477 L480I390-L394 WeakPolarHBondContact O-CB 3.36Å; I390-L394 PolarHBondContact O-N 2.84Å; Y392-L394 VanDerWaalsContact C-N 3.33Å; Y392-L394 PolarHBondContact O-N 3.4Å; L394-F396 VanDerWaalsContact C-N 3.29Å; L394-F396 PolarHBondContact O-N 3.44Å; L394-L397 PolarHBondContact O-N 3.39Å; L394-I398 HydrophobicContact CD1-CD1 4.17Å; L394-I398 HydrophobicContact CD2-CD1 4.43Å; L394-I398 HydrophobicContact CG-CD1 3.88Å; L394-I398 WeakPolarHBondContact O-CB 3.28Å; L394-I398 VanDerWaalsContact O-CG1 3.28Å; L394-I398 WeakPolarHBondContact O-CG1 3.46Å; L394-I398 PolarHBondContact O-N 3.26Å; L394-W436 HydrophobicContact CB-CH2 4.31Å; L394-W436 HydrophobicContact CD1-CZ3 4.09Å; L394-L437 HydrophobicContact CD1-CD2 3.47Å; L394-L437 VanDerWaalsContact CD1-CD2 3.47Å; L394-L477 HydrophobicContact CD1-CD1 3.58Å; L394-L477 HydrophobicContact CD2-CB 4.42Å; L394-L477 HydrophobicContact CD2-CD1 4.06Å; L394-L477 HydrophobicContact CG-CD1 4.46Å; L394-L480 HydrophobicContact CD2-CD1 3.57Å
395A84.5Confident79.9Confident0 Ų023 Ų230%012%0.12CC..Hα-helixtrans-63.2-37-17900000112S391 Y392 G399 I496 L499 L500S391-A395 PolarHBondContact O-N 2.88Å; S391-A395 VanDerWaalsContact O-N 3.13Å; Y392-A395 PolarHBondContact O-N 3.3Å; A395-G399 WeakPolarHBondContact O-CA 3.32Å; A395-G399 PolarHBondContact O-N 3.46Å; A395-I496 HydrophobicContact CB-CG2 4.24Å; A395-L499 HydrophobicContact CB-CB 3.57Å; A395-L499 HydrophobicContact CB-CD1 4.02Å; A395-L499 HydrophobicContact CB-CG 4.47Å; A395-L500 HydrophobicContact CB-CD2 3.9Å; A395-L500 HydrophobicContact CB-CG 3.89Å
396F86.5Confident78.6Confident0 Ų018.5 Ų18.50%011%0.105CC..Hα-helixtrans-67.5-49.3177.2-166.8-72.7000111.6L350 A354 F364 L372 L376 Y392 S393 L394 I398 G399 L400 L500L350-F396 HydrophobicContact CD2-CE2 4.36Å; A354-F396 HydrophobicContact CB-CD2 4.13Å; A354-F396 HydrophobicContact CB-CE2 3.92Å; F364-F396 HydrophobicContact CE2-CE1 4.42Å; F364-F396 HydrophobicContact CE2-CZ 4.03Å; F364-F396 HydrophobicContact CZ-CZ 4.22Å; L372-F396 HydrophobicContact CD1-CZ 4.37Å; L372-F396 HydrophobicContact CD2-CD1 4.28Å; L372-F396 HydrophobicContact CD2-CE1 3.5Å; L372-F396 HydrophobicContact CD2-CZ 3.97Å; L376-F396 HydrophobicContact CD1-CD1 3.47Å; L376-F396 VanDerWaalsContact CD1-CD1 3.47Å; L376-F396 HydrophobicContact CD1-CE1 3.92Å; L376-F396 HydrophobicContact CD1-CG 4.24Å; L376-F396 HydrophobicContact CD2-CB 4.31Å; L376-F396 HydrophobicContact CD2-CD1 4.37Å; L376-F396 HydrophobicContact CD2-CG 4.37Å; Y392-F396 HydrophobicContact CE1-CD2 4.11Å; Y392-F396 WeakPolarHBondContact O-CB 3.42Å; Y392-F396 PolarHBondContact O-N 3.19Å; S393-F396 PolarHBondContact O-N 2.83Å; L394-F396 VanDerWaalsContact C-N 3.29Å; L394-F396 PolarHBondContact O-N 3.44Å; F396-I398 PolarHBondContact O-N 2.89Å; F396-G399 PolarHBondContact O-N 2.82Å; F396-L400 HydrophobicContact CD1-CB 4.29Å; F396-L400 HydrophobicContact CD1-CD1 4.37Å; F396-L400 HydrophobicContact CD2-CD1 3.82Å; F396-L400 HydrophobicContact CE1-CB 4.17Å; F396-L400 HydrophobicContact CE1-CD1 4.14Å; F396-L400 HydrophobicContact CE2-CD1 3.58Å; F396-L400 HydrophobicContact CG-CD1 4.22Å; F396-L400 HydrophobicContact CZ-CD1 3.76Å; F396-L400 WeakPolarHBondContact O-CB 3.42Å; F396-L400 PolarHBondContact O-N 2.66Å; F396-L500 HydrophobicContact CB-CD2 4.14Å; F396-L500 HydrophobicContact CD2-CD2 4.5Å
397L84.2Confident76.8Confident1 Ų121.5 Ų21.51%0.00514%0.137CC..Hα-helixtrans-62-42.9179.8-72.6171.7000111.8L373 L376 T377 S393 L394 L404 I433 W436L373-L397 HydrophobicContact CD1-CD2 4Å; L376-L397 HydrophobicContact CB-CD1 4.36Å; L376-L397 HydrophobicContact CB-CD2 4.08Å; L376-L397 HydrophobicContact CB-CG 4.27Å; L376-L397 HydrophobicContact CD1-CD2 3.48Å; L376-L397 VanDerWaalsContact CD1-CD2 3.48Å; L376-L397 HydrophobicContact CD1-CG 3.89Å; L376-L397 HydrophobicContact CG-CD2 4.43Å; T377-L397 HydrophobicContact CG2-CD1 4.47Å; S393-L397 WeakPolarHBondContact O-CB 3.01Å; S393-L397 VanDerWaalsContact O-CG 3.26Å; S393-L397 WeakPolarHBondContact O-CG 3.48Å; S393-L397 PolarHBondContact O-N 3.35Å; L394-L397 PolarHBondContact O-N 3.39Å; L397-L404 HydrophobicContact CD2-CD1 3.99Å; L397-I433 HydrophobicContact CB-CD1 4.37Å; L397-I433 HydrophobicContact CD1-CG1 4.28Å; L397-I433 HydrophobicContact CD1-CG2 4.31Å; L397-I433 HydrophobicContact CD2-CD1 3.96Å; L397-I433 HydrophobicContact CD2-CG1 4.13Å; L397-W436 HydrophobicContact CD1-CE3 4.01Å; L397-W436 HydrophobicContact CD1-CH2 4.41Å; L397-W436 HydrophobicContact CD1-CZ3 3.89Å
398I79.5Confident74.7Confident2 Ų228.8 Ų28.81%0.0117%0.174CC..Hα-helixtrans-70.2-47.7178.6-64.2173000110.1L394 F396 L480 F484 I496 W514 F518L394-I398 HydrophobicContact CD1-CD1 4.17Å; L394-I398 HydrophobicContact CD2-CD1 4.43Å; L394-I398 HydrophobicContact CG-CD1 3.88Å; L394-I398 WeakPolarHBondContact O-CB 3.28Å; L394-I398 VanDerWaalsContact O-CG1 3.28Å; L394-I398 WeakPolarHBondContact O-CG1 3.46Å; L394-I398 PolarHBondContact O-N 3.26Å; F396-I398 PolarHBondContact O-N 2.89Å; I398-L480 HydrophobicContact CD1-CD1 4.27Å; I398-L480 HydrophobicContact CD1-CD2 4.16Å; I398-F484 HydrophobicContact CG2-CE2 4.4Å; I398-F484 HydrophobicContact CG2-CZ 3.88Å; I398-I496 HydrophobicContact CB-CD1 4.41Å; I398-I496 HydrophobicContact CG2-CD1 3.7Å; I398-W514 HydrophobicContact CG2-CG 4.2Å; I398-W514 VanDerWaalsContact O-CD1 3.24Å; I398-W514 PolarHBondContact O-NE1 3.38Å; I398-W514 VanDerWaalsContact O-NE1 3.14Å; I398-F518 HydrophobicContact CD1-CE2 3.79Å; I398-F518 HydrophobicContact CD1-CZ 3.86Å; I398-F518 HydrophobicContact CG1-CE2 4.15Å
399G78.4Confident72.5Confident1 Ų129 Ų291%0.0119%0.187CC..Hα-helixtrans-77-38.5-170.900000115A395 F396 L507 T510A395-G399 WeakPolarHBondContact O-CA 3.32Å; A395-G399 PolarHBondContact O-N 3.46Å; F396-G399 PolarHBondContact O-N 2.82Å; G399-L507 WeakPolarHBondContact O-CD1 3.25Å; G399-T510 PolarHBondContact O-OG1 3.37Å
400L77.8Confident69.9Low1 Ų134 Ų341%0.00522%0.223CC..SBendtrans-109.822.1-171.8-59.1-179.5000113.5A354 R357 F396 S402 S403 I504A354-L400 HydrophobicContact CB-CD1 3.95Å; R357-L400 HydrophobicContact CB-CD1 4.41Å; R357-L400 HydrophobicContact CB-CD2 4.45Å; R357-L400 HydrophobicContact CG-CD1 4.48Å; R357-L400 HydrophobicContact CG-CD2 3.78Å; F396-L400 HydrophobicContact CD1-CB 4.29Å; F396-L400 HydrophobicContact CD1-CD1 4.37Å; F396-L400 HydrophobicContact CD2-CD1 3.82Å; F396-L400 HydrophobicContact CE1-CB 4.17Å; F396-L400 HydrophobicContact CE1-CD1 4.14Å; F396-L400 HydrophobicContact CE2-CD1 3.58Å; F396-L400 HydrophobicContact CG-CD1 4.22Å; F396-L400 HydrophobicContact CZ-CD1 3.76Å; F396-L400 WeakPolarHBondContact O-CB 3.42Å; F396-L400 PolarHBondContact O-N 2.66Å; L400-S402 VanDerWaalsContact C-N 3.28Å; L400-S402 PolarHBondContact O-N 2.86Å; L400-S402 VanDerWaalsContact O-N 3.14Å; L400-S403 WeakPolarHBondContact O-CB 3.41Å; L400-S403 PolarHBondContact O-N 3.37Å; L400-S403 PolarHBondContact O-OG 3.5Å; L400-I504 HydrophobicContact CD1-CD1 4.49Å; L400-I504 HydrophobicContact CD2-CD1 4.01Å
401R76.4Confident67.4Low67 Ų6741 Ų4125%0.25326%0.26SS..G310 helixtrans-44.5-46.8179.2179.1-173163-158.9-5114.3S403 L404 E430 W514R401-S403 PolarHBondContact O-N 2.8Å; R401-S403 VanDerWaalsContact O-N 3.09Å; R401-L404 PolarHBondContact O-N 2.96Å; R401-E430 IonicContact CZ-OE1 2.66Å; R401-E430 IonicContact NE-OE1 3.86Å; R401-E430 IonicContact NH1-OE1 2.66Å; R401-E430 IonicContact NH2-OE1 2.7Å; R401-E430 PolarHBondContact NH2-OE1 3.13Å; R401-W514 HydrophobicContact CG-CZ2 4.33Å
402S72.7Confident64.9Low65 Ų6545.9 Ų45.946%0.45529%0.289SS..G310 helixtrans-58.1-27.3-176.259.50000112.9L400 L404L400-S402 VanDerWaalsContact C-N 3.28Å; L400-S402 PolarHBondContact O-N 2.86Å; L400-S402 VanDerWaalsContact O-N 3.14Å; S402-L404 VanDerWaalsContact C-N 3.34Å
403S71.4Confident62.1Low8 Ų853.6 Ų53.66%0.05633%0.331CS..G310 helixtrans-82.5-14.3-177.3-45.40000113R357 F364 L400 R401R357-S403 VanDerWaalsContact CD-OG 3.3Å; R357-S403 WeakPolarHBondContact CD-OG 3.18Å; R357-S403 PolarHBondContact NE-OG 3.09Å; F364-S403 WeakPolarHBondContact CD2-O 3.32Å; F364-S403 VanDerWaalsContact CE2-CB 3.5Å; L400-S403 WeakPolarHBondContact O-CB 3.41Å; L400-S403 PolarHBondContact O-N 3.37Å; L400-S403 PolarHBondContact O-OG 3.5Å; R401-S403 PolarHBondContact O-N 2.8Å; R401-S403 VanDerWaalsContact O-N 3.09Å
404L72.3Confident59.3Low3 Ų357.3 Ų57.32%0.01637%0.369CS..THydrogen-bonded Turntrans-92.1-10.7179.2-73.9149.9000112.7L372 L373 L397 R401 S402 T406 I429L372-L404 HydrophobicContact CD2-CD2 3.67Å; L373-L404 HydrophobicContact CB-CD2 4.17Å; L397-L404 HydrophobicContact CD2-CD1 3.99Å; R401-L404 PolarHBondContact O-N 2.96Å; S402-L404 VanDerWaalsContact C-N 3.34Å; L404-T406 PolarHBondContact O-N 3.32Å; L404-I429 WeakPolarHBondContact O-CD1 3.44Å
405A64.7Low56.5Low51 Ų5163.5 Ų63.542%0.42141%0.407SS..  trans-75.4114.3-175.800000111.5G407A405-G407 PolarHBondContact O-N 3.42Å
406T51.1Low53.7Low24 Ų2470.7 Ų70.715%0.14744%0.443CS..  trans-80.599.7178.952.30000111.5P366 S369 Q370 L404 N425P366-T406 HydrophobicContact CB-CG2 4.21Å; S369-T406 VanDerWaalsContact OG-CG2 3.23Å; S369-T406 WeakPolarHBondContact OG-CG2 3.26Å; Q370-T406 HydrophobicContact CG-CG2 3.84Å; L404-T406 PolarHBondContact O-N 3.32Å; T406-N425 PolarHBondContact O-ND2 3.45Å
407G42.4Very low51Low64 Ų6480 Ų8066%0.6649%0.485SS*.  trans98.2110.915900000116.5A405A405-G407 PolarHBondContact O-N 3.42Å
408I37.8Very low48.2Very low169 Ų16986.3 Ų86.387%0.86752%0.519SS*.  -167.396.2128-78.6143.1000103.8
409S35Very low45.7Very low112 Ų11293 Ų9378%0.78356%0.555SS**  trans-79121.1162.2490000107.3D411S409-D411 PolarHBondContact O-N 3.09Å; S409-D411 VanDerWaalsContact O-N 3.11Å
410S30.8Very low43.2Very low107 Ų10798.3 Ų98.375%0.74859%0.592SS**  trans-79.881.6178.236.80000109.4
411D29.8Very low40.8Very low152 Ų152110.3 Ų110.381%0.81364%0.637SS**  trans-119.593.1163.3-74.7-37.8000108.7S409 N413S409-D411 PolarHBondContact O-N 3.09Å; S409-D411 VanDerWaalsContact O-N 3.11Å; D411-N413 PolarHBondContact O-N 2.93Å
412T29Very low38.7Very low125 Ų125114.2 Ų114.277%0.76766%0.662SS**  trans-62.9115.2163.143.90000109.2
413N28.2Very low36.9Very low166 Ų166117.1 Ų117.189%0.88868%0.679SS**  trans159.288.9138.4-78.3-16.4000109.4D411D411-N413 PolarHBondContact O-N 2.93Å
414G27.6Very low35.2Very low79 Ų79119.6 Ų119.681%0.81470%0.7SS**  trans-170.894.6179.400000111.2
415V27.3Very low34.4Very low137 Ų137123.6 Ų123.683%0.8372%0.721SS**  trans-36.4126179.3174.90000114.9
416M25.7Very low34.2Very low151 Ų151124.9 Ų124.974%0.74472%0.724SS**  trans28.5105.1144.8-71-89.7150.600118.1
417H28.1Very low35Very low194 Ų194127 Ų12790%0.89874%0.737SS**  trans-136.3120.3139.5-94-68.8000111.1
418N26.5Very low36.2Very low134 Ų134127.6 Ų127.672%0.71773%0.725SS**  trans-62.3128.5174.4-74.1-28.4000111.5
419N26.9Very low37.9Very low144 Ų144120.5 Ų120.577%0.7769%0.689SS**SBendtrans153.3108.9131.1-76.8-14.1000110.6R421N419-R421 PolarHBondContact O-N 2.74Å
420S26.7Very low39.7Very low112 Ų112116.6 Ų116.678%0.78366%0.658SS**  trans35.278.8153.563.70000118.1
421R27.1Very low42Very low252 Ų252115.5 Ų115.595%0.95164%0.644SS**  trans-108.999.7152.2-85.7-175.3-178.6175.91.1108.9N419N419-R421 PolarHBondContact O-N 2.74Å
422I30.7Very low44.4Very low150 Ų150110.9 Ų110.977%0.76962%0.621SS**  trans-66.6136.2170.1-61.7165.8000107.5A424I422-A424 VanDerWaalsContact C-N 3.32Å; I422-A424 PolarHBondContact O-N 3.38Å
423P35Very low46.8Very low126 Ų126105.1 Ų105.182%0.81859%0.586SS**  trans-7878.8-175.732.9-34.1000110.7
424A35.7Very low49.2Very low60 Ų6097.7 Ų97.750%0.49655%0.546SS..  trans-85.7127162.200000107.7I422I422-A424 VanDerWaalsContact C-N 3.32Å; I422-A424 PolarHBondContact O-N 3.38Å
425N55.5Low51.7Low87 Ų8798.6 Ų98.647%0.46553%0.532SS..SBendtrans173.8-33.9153.5-86.9-8.6000112.5T406T406-N425 PolarHBondContact O-ND2 3.45Å
426T62.1Low54.4Low77 Ų7793.2 Ų93.247%0.47250%0.497SS..Hα-helixtrans-77.1-34.2-177.352.70000113.6D428 E430T426-D428 VanDerWaalsContact C-N 3.32Å; T426-E430 PolarHBondContact O-N 3.41Å
427T66.4Low57Low68 Ų6886 Ų8642%0.41746%0.462SS..Hα-helixtrans-67.8-33178.747.40000112.1E430 N431T427-E430 PolarHBondContact O-N 2.89Å; T427-N431 WeakPolarHBondContact O-CB 3.48Å; T427-N431 VanDerWaalsContact O-CG 3.24Å; T427-N431 PolarHBondContact O-N 3.38Å; T427-N431 PolarHBondContact O-ND2 2.98Å
428D69.5Low59.4Low78 Ų7880.7 Ų80.742%0.41744%0.437SS..Hα-helixtrans-69.5-39.1-177.4-58.6-28.4000111.1T426 N431 T432T426-D428 VanDerWaalsContact C-N 3.32Å; D428-N431 PolarHBondContact O-N 3.41Å; D428-T432 PolarHBondContact O-N 3.19Å; D428-T432 PolarHBondContact O-OG1 2.9Å
429I72.3Confident61.9Low20 Ų2077.6 Ų77.610%0.10342%0.415CS..Hα-helixtrans-62-45.2173.9-59.7168.9000110.3L373 L404 T432 I433L373-I429 HydrophobicContact CD1-CG2 4.17Å; L373-I429 HydrophobicContact CD2-CB 4.42Å; L373-I429 HydrophobicContact CD2-CG1 4.11Å; L373-I429 HydrophobicContact CD2-CG2 4.04Å; L404-I429 WeakPolarHBondContact O-CD1 3.44Å; I429-T432 PolarHBondContact O-N 2.89Å; I429-I433 HydrophobicContact CG2-CD1 3.92Å; I429-I433 WeakPolarHBondContact O-CG1 3.48Å; I429-I433 PolarHBondContact O-N 3.13Å
430E73.8Confident64.4Low30 Ų3071.2 Ų71.214%0.1438%0.381CS..Hα-helixtrans-60.9-46.8177.5-68.7175.3171.100111.3R401 T426 T427 T432 I433 I434 L517R401-E430 IonicContact CZ-OE1 2.66Å; R401-E430 IonicContact NE-OE1 3.86Å; R401-E430 IonicContact NH1-OE1 2.66Å; R401-E430 IonicContact NH2-OE1 2.7Å; R401-E430 PolarHBondContact NH2-OE1 3.13Å; T426-E430 PolarHBondContact O-N 3.41Å; T427-E430 PolarHBondContact O-N 2.89Å; E430-T432 VanDerWaalsContact C-N 3.28Å; E430-T432 PolarHBondContact O-N 3.41Å; E430-I433 PolarHBondContact O-N 3.45Å; E430-I434 WeakPolarHBondContact O-CB 3.46Å; E430-I434 WeakPolarHBondContact O-CD1 3.02Å; E430-I434 VanDerWaalsContact O-CG1 3.22Å; E430-I434 WeakPolarHBondContact O-CG1 3.37Å; E430-I434 PolarHBondContact O-N 3.1Å; E430-L517 HydrophobicContact CB-CD1 4.3Å; E430-L517 HydrophobicContact CG-CD1 3.77Å; E430-L517 WeakPolarHBondContact OE1-CD1 3.23Å
431N78.4Confident66.6Low83 Ų8366.9 Ų66.944%0.44435%0.349SS..Hα-helixtrans-60.5-38.8176.7-71-25.2000111.9T427 D428 I434 N435T427-N431 WeakPolarHBondContact O-CB 3.48Å; T427-N431 VanDerWaalsContact O-CG 3.24Å; T427-N431 PolarHBondContact O-N 3.38Å; T427-N431 PolarHBondContact O-ND2 2.98Å; D428-N431 PolarHBondContact O-N 3.41Å; N431-I434 PolarHBondContact O-N 3.35Å; N431-N435 WeakPolarHBondContact O-CB 3.19Å; N431-N435 PolarHBondContact O-N 3.18Å; N431-N435 PolarHBondContact O-ND2 3.5Å; N431-N435 PolarHBondContact O-OD1 2.93Å
432T80.1Confident68.7Low56 Ų5661.2 Ų61.234%0.34434%0.337SS..Hα-helixtrans-63.8-43177.3-45.60000111.2D428 I429 E430 W436D428-T432 PolarHBondContact O-N 3.19Å; D428-T432 PolarHBondContact O-OG1 2.9Å; I429-T432 PolarHBondContact O-N 2.89Å; E430-T432 VanDerWaalsContact C-N 3.28Å; E430-T432 PolarHBondContact O-N 3.41Å; T432-W436 WeakPolarHBondContact O-CB 3.31Å; T432-W436 PolarHBondContact O-N 3.01Å
433I79.3Confident70.7Confident3 Ų356.3 Ų56.32%0.01531%0.311CS..Hα-helixtrans-70-39.7178.2-62.3165.8000111L373 L397 I429 E430 W436 L437 W514L373-I433 HydrophobicContact CD1-CD1 4.49Å; L373-I433 HydrophobicContact CD1-CG1 4.27Å; L397-I433 HydrophobicContact CB-CD1 4.37Å; L397-I433 HydrophobicContact CD1-CG1 4.28Å; L397-I433 HydrophobicContact CD1-CG2 4.31Å; L397-I433 HydrophobicContact CD2-CD1 3.96Å; L397-I433 HydrophobicContact CD2-CG1 4.13Å; I429-I433 HydrophobicContact CG2-CD1 3.92Å; I429-I433 WeakPolarHBondContact O-CG1 3.48Å; I429-I433 PolarHBondContact O-N 3.13Å; E430-I433 PolarHBondContact O-N 3.45Å; I433-W436 PolarHBondContact O-N 3.5Å; I433-L437 HydrophobicContact CG2-CD1 4Å; I433-L437 HydrophobicContact CG2-CG 4.36Å; I433-L437 WeakPolarHBondContact O-CB 3.32Å; I433-L437 WeakPolarHBondContact O-CG 3.29Å; I433-L437 PolarHBondContact O-N 2.72Å; I433-W514 HydrophobicContact CB-CH2 3.8Å; I433-W514 HydrophobicContact CD1-CH2 3.49Å; I433-W514 VanDerWaalsContact CD1-CH2 3.49Å; I433-W514 HydrophobicContact CD1-CZ2 3.65Å; I433-W514 HydrophobicContact CG1-CH2 4.23Å; I433-W514 HydrophobicContact CG2-CH2 3.46Å; I433-W514 VanDerWaalsContact CG2-CH2 3.46Å; I433-W514 HydrophobicContact CG2-CZ2 4.35Å; I433-W514 HydrophobicContact CG2-CZ3 4.01Å
434I77.7Confident72.4Confident10 Ų1051.5 Ų51.55%0.05128%0.278CS..Hα-helixtrans-61.9-46.7175.7-69.7162.9000110.3E430 N431 W436 L437 Q438 L517 T521 V522E430-I434 WeakPolarHBondContact O-CB 3.46Å; E430-I434 WeakPolarHBondContact O-CD1 3.02Å; E430-I434 VanDerWaalsContact O-CG1 3.22Å; E430-I434 WeakPolarHBondContact O-CG1 3.37Å; E430-I434 PolarHBondContact O-N 3.1Å; N431-I434 PolarHBondContact O-N 3.35Å; I434-W436 VanDerWaalsContact C-N 3.29Å; I434-W436 PolarHBondContact O-N 2.99Å; I434-L437 PolarHBondContact O-N 3.44Å; I434-Q438 HydrophobicContact CG2-CG 4.32Å; I434-Q438 WeakPolarHBondContact O-CB 3.49Å; I434-Q438 WeakPolarHBondContact O-CG 3.45Å; I434-Q438 PolarHBondContact O-N 2.89Å; I434-L517 HydrophobicContact CD1-CD2 4.32Å; I434-T521 HydrophobicContact CD1-CG2 4.13Å; I434-T521 WeakPolarHBondContact CD1-OG1 3.43Å; I434-V522 HydrophobicContact CG1-CG2 4.13Å; I434-V522 HydrophobicContact CG2-CG2 4.31Å
435N81Confident73.7Confident99 Ų9953.8 Ų53.853%0.52928%0.282SS..Hα-helixtrans-61.2-38.5176.9-70.1-13.1000111.7N431 R439N431-N435 WeakPolarHBondContact O-CB 3.19Å; N431-N435 PolarHBondContact O-N 3.18Å; N431-N435 PolarHBondContact O-ND2 3.5Å; N431-N435 PolarHBondContact O-OD1 2.93Å; N435-R439 VanDerWaalsContact O-CB 3.3Å; N435-R439 WeakPolarHBondContact O-CB 3.48Å; N435-R439 PolarHBondContact O-N 2.94Å; N435-R439 VanDerWaalsContact O-N 3.07Å
436W85Confident74.1Confident23 Ų2354.3 Ų54.39%0.08728%0.283CS..Hα-helixtrans-65.4-44.5174.4177.477.7000112.2T377 I390 L394 L397 T432 I433 I434 R439 L440T377-W436 HydrophobicContact CG2-CB 4.17Å; T377-W436 HydrophobicContact CG2-CG 4.14Å; I390-W436 HydrophobicContact CG2-CH2 4.24Å; I390-W436 HydrophobicContact CG2-CZ2 4.17Å; L394-W436 HydrophobicContact CB-CH2 4.31Å; L394-W436 HydrophobicContact CD1-CZ3 4.09Å; L397-W436 HydrophobicContact CD1-CE3 4.01Å; L397-W436 HydrophobicContact CD1-CH2 4.41Å; L397-W436 HydrophobicContact CD1-CZ3 3.89Å; T432-W436 WeakPolarHBondContact O-CB 3.31Å; T432-W436 PolarHBondContact O-N 3.01Å; I433-W436 PolarHBondContact O-N 3.5Å; I434-W436 VanDerWaalsContact C-N 3.29Å; I434-W436 PolarHBondContact O-N 2.99Å; W436-R439 PolarHBondContact O-N 3.41Å; W436-L440 HydrophobicContact CD2-CD1 3.97Å; W436-L440 HydrophobicContact CE3-CD1 4.07Å; W436-L440 HydrophobicContact CH2-CD1 3.6Å; W436-L440 HydrophobicContact CZ2-CD1 3.49Å; W436-L440 VanDerWaalsContact CZ2-CD1 3.49Å; W436-L440 HydrophobicContact CZ2-CG 4.47Å; W436-L440 HydrophobicContact CZ3-CD1 3.89Å; W436-L440 WeakPolarHBondContact O-CG 3.19Å; W436-L440 PolarHBondContact O-N 3.48Å
437L80.3Confident73.9Confident1 Ų151 Ų511%0.00526%0.263CS..Hα-helixtrans-65.1-45.1177.4-73.5170.1000112.5L394 I433 I434 R439 L440 I441 L477 F518 V522L394-L437 HydrophobicContact CD1-CD2 3.47Å; L394-L437 VanDerWaalsContact CD1-CD2 3.47Å; I433-L437 HydrophobicContact CG2-CD1 4Å; I433-L437 HydrophobicContact CG2-CG 4.36Å; I433-L437 WeakPolarHBondContact O-CB 3.32Å; I433-L437 WeakPolarHBondContact O-CG 3.29Å; I433-L437 PolarHBondContact O-N 2.72Å; I434-L437 PolarHBondContact O-N 3.44Å; L437-R439 VanDerWaalsContact C-N 3.27Å; L437-R439 PolarHBondContact O-N 3.38Å; L437-L440 PolarHBondContact O-N 3.32Å; L437-I441 VanDerWaalsContact O-CG1 3.31Å; L437-I441 WeakPolarHBondContact O-CG1 3.27Å; L437-I441 PolarHBondContact O-N 2.63Å; L437-L477 HydrophobicContact CD2-CD1 4.11Å; L437-F518 HydrophobicContact CD1-CE1 4.5Å; L437-F518 HydrophobicContact CD1-CE2 3.73Å; L437-F518 HydrophobicContact CD1-CZ 3.61Å; L437-F518 HydrophobicContact CD2-CZ 4.38Å; L437-V522 HydrophobicContact CB-CG1 3.77Å; L437-V522 HydrophobicContact CB-CG2 4.24Å; L437-V522 HydrophobicContact CD1-CG1 4.07Å; L437-V522 HydrophobicContact CD1-CG2 3.82Å; L437-V522 HydrophobicContact CG-CG1 4.44Å
438Q78Confident73.6Confident81 Ų8149.7 Ų49.738%0.37925%0.253SS..Hα-helixtrans-58.5-43.5176.1-76.2177.1-6.600110.6I434 L440 I441 D442 T521I434-Q438 HydrophobicContact CG2-CG 4.32Å; I434-Q438 WeakPolarHBondContact O-CB 3.49Å; I434-Q438 WeakPolarHBondContact O-CG 3.45Å; I434-Q438 PolarHBondContact O-N 2.89Å; Q438-L440 PolarHBondContact O-N 3.49Å; Q438-I441 WeakPolarHBondContact O-CB 3.32Å; Q438-I441 PolarHBondContact O-N 3.33Å; Q438-D442 VanDerWaalsContact O-CG 3.28Å; Q438-D442 PolarHBondContact O-N 3.43Å; Q438-T521 PolarHBondContact NE2-O 3.25Å
439R79.4Confident72.8Confident70 Ų7049.2 Ų49.226%0.26426%0.256SS..Hα-helixtrans-63.8-39176.1-176.9169.6168.9-127.8-29.9113.7R379 N435 W436 L437 I441 D442 E443R379-R439 VanDerWaalsContact CD-NH2 3.3Å; R379-R439 VanDerWaalsContact CG-NH1 3.34Å; N435-R439 VanDerWaalsContact O-CB 3.3Å; N435-R439 WeakPolarHBondContact O-CB 3.48Å; N435-R439 PolarHBondContact O-N 2.94Å; N435-R439 VanDerWaalsContact O-N 3.07Å; W436-R439 PolarHBondContact O-N 3.41Å; L437-R439 VanDerWaalsContact C-N 3.27Å; L437-R439 PolarHBondContact O-N 3.38Å; R439-I441 VanDerWaalsContact C-N 3.32Å; R439-D442 PolarHBondContact O-N 3.01Å; R439-E443 HydrophobicContact CG-CG 4.45Å; R439-E443 IonicContact CZ-OE1 2.59Å; R439-E443 VanDerWaalsContact CZ-OE1 3.27Å; R439-E443 IonicContact NE-OE1 3.49Å; R439-E443 PolarHBondContact NE-OE1 2.99Å; R439-E443 IonicContact NH2-OE1 3.78Å; R439-E443 PolarHBondContact NH2-OE1 2.89Å; R439-E443 IonicContact NH2-OE2 3.52Å; R439-E443 PolarHBondContact NH2-OE2 3.22Å; R439-E443 WeakPolarHBondContact O-CB 3.25Å; R439-E443 WeakPolarHBondContact O-CG 3.49Å; R439-E443 PolarHBondContact O-N 2.64Å
440L79.5Confident71.7Confident10 Ų1051.7 Ų51.75%0.05227%0.269CS..Hα-helixtrans-63.8-39.2174-74.8177000111.7I390 W436 L437 Q438 E443 Q444 Y473I390-L440 HydrophobicContact CD1-CD2 4.09Å; I390-L440 HydrophobicContact CG2-CD1 3.63Å; I390-L440 HydrophobicContact CG2-CD2 4.16Å; W436-L440 HydrophobicContact CD2-CD1 3.97Å; W436-L440 HydrophobicContact CE3-CD1 4.07Å; W436-L440 HydrophobicContact CH2-CD1 3.6Å; W436-L440 HydrophobicContact CZ2-CD1 3.49Å; W436-L440 VanDerWaalsContact CZ2-CD1 3.49Å; W436-L440 HydrophobicContact CZ2-CG 4.47Å; W436-L440 HydrophobicContact CZ3-CD1 3.89Å; W436-L440 WeakPolarHBondContact O-CG 3.19Å; W436-L440 PolarHBondContact O-N 3.48Å; L437-L440 PolarHBondContact O-N 3.32Å; Q438-L440 PolarHBondContact O-N 3.49Å; L440-E443 PolarHBondContact O-N 3.46Å; L440-Q444 PolarHBondContact O-N 3.42Å; L440-Q444 VanDerWaalsContact O-N 3.13Å; L440-Y473 HydrophobicContact CB-CE2 4.08Å; L440-Y473 HydrophobicContact CD1-CE2 4.44Å; L440-Y473 PolarHBondContact O-OH 2.92Å
441I72.6Confident70.4Confident21 Ų2152.6 Ų52.611%0.10828%0.276CS..Hα-helixtrans-64.4-42175.8-66164.3000110.4L437 Q438 R439 Q444 L477 V522 F523 M527L437-I441 VanDerWaalsContact O-CG1 3.31Å; L437-I441 WeakPolarHBondContact O-CG1 3.27Å; L437-I441 PolarHBondContact O-N 2.63Å; Q438-I441 WeakPolarHBondContact O-CB 3.32Å; Q438-I441 PolarHBondContact O-N 3.33Å; R439-I441 VanDerWaalsContact C-N 3.32Å; I441-Q444 WeakPolarHBondContact O-CB 3.37Å; I441-Q444 PolarHBondContact O-N 2.86Å; I441-L477 HydrophobicContact CG1-CD2 4.47Å; I441-V522 HydrophobicContact CD1-CG1 3.7Å; I441-F523 HydrophobicContact CD1-CE1 4.28Å; I441-F523 HydrophobicContact CD1-CE2 4.2Å; I441-F523 HydrophobicContact CD1-CZ 3.89Å; I441-F523 HydrophobicContact CG1-CZ 4.32Å; I441-M527 HydrophobicContact CG2-CE 4.07Å
442D71.1Confident68.6Low132 Ų13255.1 Ų55.171%0.70629%0.286SS*.Hα-helixtrans-67.3-35.6177.4-66.5-24.4000112.6Q438 R439 Q444Q438-D442 VanDerWaalsContact O-CG 3.28Å; Q438-D442 PolarHBondContact O-N 3.43Å; R439-D442 PolarHBondContact O-N 3.01Å; D442-Q444 VanDerWaalsContact C-N 3.31Å; D442-Q444 PolarHBondContact O-N 2.7Å
443E73.2Confident66.6Low48 Ų4856.4 Ų56.422%0.22430%0.297CS..THydrogen-bonded Turntrans-863.7178.8-69.4179.4-174.300113.5R439 L440 D445 I446 F447R439-E443 HydrophobicContact CG-CG 4.45Å; R439-E443 IonicContact CZ-OE1 2.59Å; R439-E443 VanDerWaalsContact CZ-OE1 3.27Å; R439-E443 IonicContact NE-OE1 3.49Å; R439-E443 PolarHBondContact NE-OE1 2.99Å; R439-E443 IonicContact NH2-OE1 3.78Å; R439-E443 PolarHBondContact NH2-OE1 2.89Å; R439-E443 IonicContact NH2-OE2 3.52Å; R439-E443 PolarHBondContact NH2-OE2 3.22Å; R439-E443 WeakPolarHBondContact O-CB 3.25Å; R439-E443 WeakPolarHBondContact O-CG 3.49Å; R439-E443 PolarHBondContact O-N 2.64Å; L440-E443 PolarHBondContact O-N 3.46Å; E443-D445 VanDerWaalsContact C-N 3.28Å; E443-D445 PolarHBondContact O-N 3.32Å; E443-D445 VanDerWaalsContact O-N 3.17Å; E443-I446 HydrophobicContact CB-CD1 4.42Å; E443-I446 HydrophobicContact CG-CD1 4.39Å; E443-I446 WeakPolarHBondContact O-CB 3.42Å; E443-I446 PolarHBondContact O-N 2.92Å; E443-F447 HydrophobicContact CB-CD2 4.39Å; E443-F447 HydrophobicContact CB-CE2 4.12Å; E443-F447 WeakPolarHBondContact O-CD2 3.43Å
444Q69.2Low64.4Low24 Ų2459.4 Ų59.411%0.11232%0.318CS..Hα-helixtrans-56.2-37.2-172.2-172.7-179-17.100113.8L440 I441 D442 I446 F447 N448 V474L440-Q444 PolarHBondContact O-N 3.42Å; L440-Q444 VanDerWaalsContact O-N 3.13Å; I441-Q444 WeakPolarHBondContact O-CB 3.37Å; I441-Q444 PolarHBondContact O-N 2.86Å; D442-Q444 VanDerWaalsContact C-N 3.31Å; D442-Q444 PolarHBondContact O-N 2.7Å; Q444-I446 VanDerWaalsContact C-N 3.3Å; Q444-I446 PolarHBondContact O-N 2.9Å; Q444-F447 PolarHBondContact O-N 2.73Å; Q444-N448 VanDerWaalsContact O-CG 3.31Å; Q444-N448 PolarHBondContact O-N 3.48Å; Q444-N448 PolarHBondContact O-ND2 3.25Å; Q444-V474 HydrophobicContact CG-CG2 3.58Å
445D63.6Low62.1Low108 Ų10863.7 Ų63.758%0.57835%0.349SS*.Hα-helixtrans-66.2-32.2-178.9-69.8-26.7000112.4E443 S449E443-D445 VanDerWaalsContact C-N 3.28Å; E443-D445 PolarHBondContact O-N 3.32Å; E443-D445 VanDerWaalsContact O-N 3.17Å; D445-S449 PolarHBondContact O-N 3.02Å
446I63.6Low59.6Low98 Ų9864 Ų6450%0.50336%0.359SS..Hα-helixtrans-66.4-46.7177.8-57.8172.4000109.6E443 Q444 S449E443-I446 HydrophobicContact CB-CD1 4.42Å; E443-I446 HydrophobicContact CG-CD1 4.39Å; E443-I446 WeakPolarHBondContact O-CB 3.42Å; E443-I446 PolarHBondContact O-N 2.92Å; Q444-I446 VanDerWaalsContact C-N 3.3Å; Q444-I446 PolarHBondContact O-N 2.9Å; I446-S449 PolarHBondContact O-OG 2.87Å
447F58.5Low56.8Low8 Ų867.7 Ų67.74%0.03539%0.388CS..Hα-helixtrans-70.2-33.6179.7-71.1-80.1000113.2V382 L387 I390 E443 Q444 S449 L450 Y473V382-F447 HydrophobicContact CB-CE1 4.35Å; V382-F447 HydrophobicContact CG1-CD1 3.54Å; V382-F447 HydrophobicContact CG1-CE1 3.73Å; V382-F447 HydrophobicContact CG1-CG 4.33Å; V382-F447 HydrophobicContact CG2-CE1 4.35Å; L387-F447 HydrophobicContact CD2-CB 4.19Å; L387-F447 HydrophobicContact CD2-CD1 3.59Å; L387-F447 HydrophobicContact CD2-CE1 4.35Å; L387-F447 HydrophobicContact CD2-CG 4.2Å; I390-F447 HydrophobicContact CD1-CE1 4Å; I390-F447 HydrophobicContact CD1-CZ 4Å; E443-F447 HydrophobicContact CB-CD2 4.39Å; E443-F447 HydrophobicContact CB-CE2 4.12Å; E443-F447 WeakPolarHBondContact O-CD2 3.43Å; Q444-F447 PolarHBondContact O-N 2.73Å; F447-S449 VanDerWaalsContact C-N 3.35Å; F447-S449 PolarHBondContact O-N 3.38Å; F447-L450 PolarHBondContact O-N 3.2Å; F447-Y473 HydrophobicContact CB-CE1 3.96Å; F447-Y473 HydrophobicContact CD1-CE1 4.34Å; F447-Y473 AromaticContact CD2-CE1 3.96Å; F447-Y473 HydrophobicContact CD2-CE1 3.96Å; F447-Y473 AromaticContact CG-CE1 3.83Å; F447-Y473 HydrophobicContact CG-CE1 3.83Å
448N59.2Low54.2Low40 Ų4072 Ų7221%0.21442%0.418CS..Hα-helixtrans-65.4-35.5178-77.2-21.1000112.6Q444 L450 T451 Q452Q444-N448 VanDerWaalsContact O-CG 3.31Å; Q444-N448 PolarHBondContact O-N 3.48Å; Q444-N448 PolarHBondContact O-ND2 3.25Å; N448-L450 PolarHBondContact O-N 3.42Å; N448-T451 PolarHBondContact O-N 3.44Å; N448-T451 VanDerWaalsContact O-N 3.1Å; N448-T451 PolarHBondContact O-OG1 2.65Å; N448-Q452 PolarHBondContact O-N 2.99Å
449S53.6Low52Low69 Ų6973.7 Ų73.748%0.48344%0.436SS..Hα-helixtrans-57.9-33.1-179.672.80000113.5D445 I446 F447 Q452 S453D445-S449 PolarHBondContact O-N 3.02Å; I446-S449 PolarHBondContact O-OG 2.87Å; F447-S449 VanDerWaalsContact C-N 3.35Å; F447-S449 PolarHBondContact O-N 3.38Å; S449-Q452 PolarHBondContact O-N 3.41Å; S449-S453 PolarHBondContact O-N 3.3Å; S449-S453 VanDerWaalsContact O-N 3.14Å; S449-S453 PolarHBondContact O-OG 2.69Å
450L48.7Very low49.5Very low72 Ų7280.2 Ų80.238%0.37746%0.462SS..Hα-helixtrans-72.1-31.1178.5-112.5131.7000113.5V382 F447 N448 Q452 S453 S454V382-L450 HydrophobicContact CB-CD1 3.9Å; V382-L450 HydrophobicContact CG1-CD1 3.31Å; F447-L450 PolarHBondContact O-N 3.2Å; N448-L450 PolarHBondContact O-N 3.42Å; L450-Q452 VanDerWaalsContact C-N 3.29Å; L450-Q452 PolarHBondContact O-N 2.89Å; L450-S453 PolarHBondContact O-OG 2.85Å; L450-S454 PolarHBondContact O-OG 3.29Å
451T47.2Very low46.9Very low48 Ų4887.9 Ų87.929%0.29450%0.503SS..Hα-helixtrans-73.4-23.2175.361.30000112.6N448 S454N448-T451 PolarHBondContact O-N 3.44Å; N448-T451 VanDerWaalsContact O-N 3.1Å; N448-T451 PolarHBondContact O-OG1 2.65Å; T451-S454 PolarHBondContact O-OG 3.06Å
452Q40.8Very low44.7Very low137 Ų13797.5 Ų97.564%0.6454%0.538SS*.Hα-helixtrans-88.8-36.4179-65-177.47.500112.7N448 S449 L450 S454 S455N448-Q452 PolarHBondContact O-N 2.99Å; S449-Q452 PolarHBondContact O-N 3.41Å; L450-Q452 VanDerWaalsContact C-N 3.29Å; L450-Q452 PolarHBondContact O-N 2.89Å; Q452-S454 VanDerWaalsContact C-N 3.31Å; Q452-S454 PolarHBondContact O-N 2.64Å; Q452-S455 WeakPolarHBondContact O-CB 3.5Å; Q452-S455 PolarHBondContact O-N 2.91Å; Q452-S455 PolarHBondContact O-OG 2.94Å
453S36.9Very low42.5Very low82 Ų8296.2 Ų96.257%0.57354%0.539SS*.Hα-helixtrans-70.1-23.1-176.461.20000114.6S449 L450 S455S449-S453 PolarHBondContact O-N 3.3Å; S449-S453 VanDerWaalsContact O-N 3.14Å; S449-S453 PolarHBondContact O-OG 2.69Å; L450-S453 PolarHBondContact O-OG 2.85Å; S453-S455 PolarHBondContact O-N 3.21Å
454S33.9Very low40.1Very low67 Ų6799.2 Ų99.247%0.46956%0.564SS.*G310 helixtrans-75.7-1.7175.245.20000113.9L450 T451 Q452L450-S454 PolarHBondContact O-OG 3.29Å; T451-S454 PolarHBondContact O-OG 3.06Å; Q452-S454 VanDerWaalsContact C-N 3.31Å; Q452-S454 PolarHBondContact O-N 2.64Å
455S29.8Very low37.9Very low99 Ų99105.6 Ų105.669%0.69260%0.599SS**G310 helixtrans-84.3-7.1-179.766.40000115.5Q452 S453Q452-S455 WeakPolarHBondContact O-CB 3.5Å; Q452-S455 PolarHBondContact O-N 2.91Å; Q452-S455 PolarHBondContact O-OG 2.94Å; S453-S455 PolarHBondContact O-N 3.21Å
456S27.2Very low36.2Very low106 Ų106110 Ų11074%0.74162%0.616SS**G310 helixtrans-97.17.3-173.8-56.60000115.5
457S26.5Very low34.3Very low100 Ų100114.2 Ų114.270%0.69963%0.631SS**SBendtrans-102.7103.3-176.6-40.60000112.6
458S26.4Very low33.1Very low92 Ų92118 Ų11864%0.64366%0.659SS**  trans47.1121.2156.7-164.80000120.1Y460S458-Y460 VanDerWaalsContact C-N 3.3Å; S458-Y460 PolarHBondContact O-N 2.87Å; S458-Y460 VanDerWaalsContact O-N 3.1Å
459P31.9Very low32Very low116 Ų116124.5 Ų124.575%0.75369%0.685SS**THydrogen-bonded Turntrans-70.6-1.6-174.8-16.229.8000118
460Y27.2Very low31.4Very low207 Ų207124.2 Ų124.281%0.81268%0.68SS**THydrogen-bonded Turntrans-95.37.2-163.7-71.6-76.3000117S458S458-Y460 VanDerWaalsContact C-N 3.3Å; S458-Y460 PolarHBondContact O-N 2.87Å; S458-Y460 VanDerWaalsContact O-N 3.1Å
461L24.7Very low31.5Very low172 Ų172124.7 Ų124.790%0.90169%0.686SS**  trans-126.854.4178.4-82.5163.6000113.1
462R25.8Very low32.3Very low223 Ų223122.8 Ų122.884%0.84268%0.675SS**  trans-1017.8174.5-97-165.2-170.9-166.28115.9
463S24.2Very low33.8Very low104 Ų104116.6 Ų116.673%0.72765%0.646SS**SBendtrans-103.4117.6178.5-170.50000110.4
464C23.7Very low35.3Very low112 Ų112113.5 Ų113.576%0.75762%0.624SS**SBendtrans71.366.6165.5-51.20000117
465N23.6Very low36.9Very low158 Ų158113.9 Ų113.985%0.84562%0.618SS**  trans-142.5103.8143.8-100.3-23.4000109.8F467N465-F467 PolarHBondContact O-N 3.22Å
466Q26.2Very low38.8Very low200 Ų200109.7 Ų109.794%0.93559%0.588SS**  trans-86.432.6-172.3-133.3171.79.200112.2
467F25.1Very low41Very low187 Ų187104.9 Ų104.982%0.8255%0.554SS**SBendtrans-102.9115169.2-88-86.1000108.4N465 K469N465-F467 PolarHBondContact O-N 3.22Å; F467-K469 PolarHBondContact O-N 3.47Å
468S32.6Very low43.1Very low88 Ų88101.1 Ų101.162%0.61553%0.526SS*.  trans-5.4110.616552.80000113.9T470S468-T470 PolarHBondContact O-N 2.94Å; S468-T470 VanDerWaalsContact O-N 3.1Å
469K36.9Very low45.1Very low175 Ų17597.8 Ų97.876%0.76150%0.501SS*.  trans-43124157.6-83177.7174.8177.30107.4F467 T471F467-K469 PolarHBondContact O-N 3.47Å; K469-T471 PolarHBondContact O-N 3.5Å
470T41.1Very low47.1Very low63 Ų6392.3 Ų92.339%0.38747%0.465SS..  trans-49.3101.9-167.143.50000111.4E384 S468 S472E384-T470 HydrophobicContact CG-CG2 4.44Å; S468-T470 PolarHBondContact O-N 2.94Å; S468-T470 VanDerWaalsContact O-N 3.1Å; T470-S472 PolarHBondContact O-N 3.39Å
471T49.7Very low49.2Very low82 Ų8282.7 Ų82.750%0.50343%0.429SS..  trans-70.4115.1177.145.80000108.1K469 E475K469-T471 PolarHBondContact O-N 3.5Å; T471-E475 WeakPolarHBondContact CB-OE2 3.19Å; T471-E475 WeakPolarHBondContact CG2-OE2 3.31Å
472S65.2Low51.2Low9 Ų974.5 Ų74.56%0.06339%0.386CS..  trans-53.5141.5170.2174.90000109.1T470 V474 E475 P476T470-S472 PolarHBondContact O-N 3.39Å; S472-V474 PolarHBondContact O-N 2.86Å; S472-V474 WeakPolarHBondContact OG-CB 3.46Å; S472-V474 WeakPolarHBondContact OG-CG2 3.29Å; S472-V474 PolarHBondContact OG-N 3.35Å; S472-E475 WeakPolarHBondContact O-CB 3.46Å; S472-E475 PolarHBondContact O-N 2.9Å; S472-P476 WeakPolarHBondContact O-CD 3.36Å
473Y71.6Confident53.3Low7 Ų764.2 Ų64.23%0.02735%0.347CS..THydrogen-bonded Turntrans-57.6-21.8177.572.3-91.6000112.6L387 I390 L440 F447 E475 P476 L477L387-Y473 HydrophobicContact CD2-CD1 3.61Å; L387-Y473 HydrophobicContact CD2-CE1 4.06Å; I390-Y473 HydrophobicContact CB-CG 4.37Å; I390-Y473 HydrophobicContact CD1-CD1 4.31Å; I390-Y473 HydrophobicContact CG2-CD1 4.13Å; I390-Y473 HydrophobicContact CG2-CD2 3.86Å; I390-Y473 HydrophobicContact CG2-CG 3.65Å; L440-Y473 HydrophobicContact CB-CE2 4.08Å; L440-Y473 HydrophobicContact CD1-CE2 4.44Å; L440-Y473 PolarHBondContact O-OH 2.92Å; F447-Y473 HydrophobicContact CB-CE1 3.96Å; F447-Y473 HydrophobicContact CD1-CE1 4.34Å; F447-Y473 AromaticContact CD2-CE1 3.96Å; F447-Y473 HydrophobicContact CD2-CE1 3.96Å; F447-Y473 AromaticContact CG-CE1 3.83Å; F447-Y473 HydrophobicContact CG-CE1 3.83Å; Y473-E475 PolarHBondContact O-N 3.43Å; Y473-P476 VanDerWaalsContact O-CD 3.29Å; Y473-P476 WeakPolarHBondContact O-CD 3.32Å; Y473-P476 WeakPolarHBondContact O-CG 3.14Å; Y473-L477 HydrophobicContact CD2-CD2 4.47Å; Y473-L477 HydrophobicContact CE2-CD2 4.38Å; Y473-L477 VanDerWaalsContact O-CB 3.23Å; Y473-L477 WeakPolarHBondContact O-CB 3.3Å; Y473-L477 PolarHBondContact O-N 3.28Å
474V68.5Low55.6Low17 Ų1759.7 Ų59.710%0.10332%0.315CS..Hα-helixtrans-57.6-37.7174.81770000111.4Q444 S472 L477 L478Q444-V474 HydrophobicContact CG-CG2 3.58Å; S472-V474 PolarHBondContact O-N 2.86Å; S472-V474 WeakPolarHBondContact OG-CB 3.46Å; S472-V474 WeakPolarHBondContact OG-CG2 3.29Å; S472-V474 PolarHBondContact OG-N 3.35Å; V474-L477 PolarHBondContact O-N 3.16Å; V474-L478 VanDerWaalsContact O-CB 3.23Å; V474-L478 WeakPolarHBondContact O-CB 3.38Å; V474-L478 PolarHBondContact O-N 3.29Å
475E68Low57.8Low74 Ų7456.1 Ų56.135%0.34629%0.287SS..Hα-helixtrans-63.5-58.6-178.1-75.8-172.9174.700112.5T471 S472 Y473 L477 L478 L479 L549T471-E475 WeakPolarHBondContact CB-OE2 3.19Å; T471-E475 WeakPolarHBondContact CG2-OE2 3.31Å; S472-E475 WeakPolarHBondContact O-CB 3.46Å; S472-E475 PolarHBondContact O-N 2.9Å; Y473-E475 PolarHBondContact O-N 3.43Å; E475-L477 VanDerWaalsContact C-N 3.26Å; E475-L477 PolarHBondContact O-N 3.4Å; E475-L478 PolarHBondContact O-N 3.44Å; E475-L479 WeakPolarHBondContact O-CB 3.39Å; E475-L479 PolarHBondContact O-N 3.36Å; E475-L549 HydrophobicContact CB-CD2 3.31Å; E475-L549 HydrophobicContact CG-CD2 3.73Å; E475-L549 WeakPolarHBondContact O-CD2 3.28Å
476P69.6Low59.9Low12 Ų1249.9 Ų49.98%0.07826%0.255CS..Hα-helixtrans-63.7-31.1173.821.4-28.2000112.5S472 Y473 L479 L480 L499S472-P476 WeakPolarHBondContact O-CD 3.36Å; Y473-P476 VanDerWaalsContact O-CD 3.29Å; Y473-P476 WeakPolarHBondContact O-CD 3.32Å; Y473-P476 WeakPolarHBondContact O-CG 3.14Å; P476-L479 PolarHBondContact O-N 3.25Å; P476-L480 VanDerWaalsContact O-CB 3.29Å; P476-L480 WeakPolarHBondContact O-CB 3.34Å; P476-L480 WeakPolarHBondContact O-CD1 3.29Å; P476-L480 PolarHBondContact O-N 2.98Å; P476-L499 HydrophobicContact CB-CD1 3.89Å; P476-L499 HydrophobicContact CB-CD2 4.09Å; P476-L499 HydrophobicContact CG-CD2 4.29Å
477L73.2Confident62.1Low5 Ų544.5 Ų44.53%0.02623%0.232CC..Hα-helixtrans-63.7-46.2175.2-178.164.4000111.8L394 L437 I441 Y473 V474 E475 L480 A481 F518 F523L394-L477 HydrophobicContact CD1-CD1 3.58Å; L394-L477 HydrophobicContact CD2-CB 4.42Å; L394-L477 HydrophobicContact CD2-CD1 4.06Å; L394-L477 HydrophobicContact CG-CD1 4.46Å; L437-L477 HydrophobicContact CD2-CD1 4.11Å; I441-L477 HydrophobicContact CG1-CD2 4.47Å; Y473-L477 HydrophobicContact CD2-CD2 4.47Å; Y473-L477 HydrophobicContact CE2-CD2 4.38Å; Y473-L477 VanDerWaalsContact O-CB 3.23Å; Y473-L477 WeakPolarHBondContact O-CB 3.3Å; Y473-L477 PolarHBondContact O-N 3.28Å; V474-L477 PolarHBondContact O-N 3.16Å; E475-L477 VanDerWaalsContact C-N 3.26Å; E475-L477 PolarHBondContact O-N 3.4Å; L477-L480 PolarHBondContact O-N 3.02Å; L477-A481 WeakPolarHBondContact O-CB 3.31Å; L477-A481 PolarHBondContact O-N 3.08Å; L477-F518 HydrophobicContact CD1-CE1 4.05Å; L477-F518 HydrophobicContact CD1-CZ 4.19Å; L477-F523 HydrophobicContact CD1-CE2 3.79Å; L477-F523 HydrophobicContact CD1-CZ 4.27Å; L477-F523 HydrophobicContact CD2-CE2 4.07Å; L477-F523 HydrophobicContact CD2-CZ 3.75Å; L477-F523 HydrophobicContact CG-CE2 3.68Å; L477-F523 HydrophobicContact CG-CZ 3.64Å
478L69.6Low64.4Low20 Ų2038.9 Ų38.911%0.10521%0.209CC..Hα-helixtrans-65.6-42.2176.1-17864.2000110.8V474 E475 A481 I482 Q531V474-L478 VanDerWaalsContact O-CB 3.23Å; V474-L478 WeakPolarHBondContact O-CB 3.38Å; V474-L478 PolarHBondContact O-N 3.29Å; E475-L478 PolarHBondContact O-N 3.44Å; L478-A481 PolarHBondContact O-N 3.37Å; L478-I482 HydrophobicContact CD1-CD1 4.16Å; L478-I482 HydrophobicContact CD1-CG1 4.46Å; L478-I482 HydrophobicContact CG-CD1 3.92Å; L478-I482 VanDerWaalsContact O-CG1 3.26Å; L478-I482 WeakPolarHBondContact O-CG1 3.36Å; L478-I482 PolarHBondContact O-N 2.95Å; L478-Q531 HydrophobicContact CD1-CG 4.22Å
479L69.4Low66.4Low23 Ų2337.7 Ų37.712%0.1220%0.199CC..Hα-helixtrans-61.5-44.9175.5-172.856000111.2E475 P476 I482 L483 L495 L549E475-L479 WeakPolarHBondContact O-CB 3.39Å; E475-L479 PolarHBondContact O-N 3.36Å; P476-L479 PolarHBondContact O-N 3.25Å; L479-I482 PolarHBondContact O-N 3.37Å; L479-L483 HydrophobicContact CD1-CD1 4.12Å; L479-L483 HydrophobicContact CD1-CG 4.07Å; L479-L483 HydrophobicContact CG-CD1 3.89Å; L479-L483 HydrophobicContact CG-CG 4.28Å; L479-L483 WeakPolarHBondContact O-CB 3.5Å; L479-L483 WeakPolarHBondContact O-CG 3.47Å; L479-L483 PolarHBondContact O-N 3.22Å; L479-L495 HydrophobicContact CB-CD2 4.01Å; L479-L495 HydrophobicContact CD2-CD1 3.86Å; L479-L495 HydrophobicContact CD2-CD2 3.7Å; L479-L495 HydrophobicContact CD2-CG 4.38Å; L479-L495 HydrophobicContact CG-CD2 3.76Å; L479-L549 HydrophobicContact CB-CD1 3.86Å; L479-L549 HydrophobicContact CD1-CD1 3.73Å; L479-L549 HydrophobicContact CD2-CD1 3.8Å; L479-L549 HydrophobicContact CG-CD1 3.97Å
480L74Confident68.3Low0 Ų031.1 Ų31.10%018%0.181CC..Hα-helixtrans-57.5-49.4173.5-96.2145.7000110.7L394 I398 P476 L477 I482 L483 F484 I492 L495 I496 L499L394-L480 HydrophobicContact CD2-CD1 3.57Å; I398-L480 HydrophobicContact CD1-CD1 4.27Å; I398-L480 HydrophobicContact CD1-CD2 4.16Å; P476-L480 VanDerWaalsContact O-CB 3.29Å; P476-L480 WeakPolarHBondContact O-CB 3.34Å; P476-L480 WeakPolarHBondContact O-CD1 3.29Å; P476-L480 PolarHBondContact O-N 2.98Å; L477-L480 PolarHBondContact O-N 3.02Å; L480-I482 VanDerWaalsContact C-N 3.31Å; L480-I482 PolarHBondContact O-N 3.49Å; L480-L483 PolarHBondContact O-N 2.89Å; L480-F484 HydrophobicContact CB-CD2 4.33Å; L480-F484 HydrophobicContact CB-CE2 4.28Å; L480-F484 HydrophobicContact CD2-CD2 4.1Å; L480-F484 HydrophobicContact CD2-CE2 3.37Å; L480-F484 HydrophobicContact CD2-CZ 3.98Å; L480-F484 HydrophobicContact CG-CE2 4.44Å; L480-F484 WeakPolarHBondContact O-CB 3.29Å; L480-F484 WeakPolarHBondContact O-CD2 3.33Å; L480-F484 WeakPolarHBondContact O-CG 3.41Å; L480-F484 PolarHBondContact O-N 3.24Å; L480-I492 HydrophobicContact CD2-CG2 3.91Å; L480-L495 HydrophobicContact CD1-CD2 4.13Å; L480-L495 HydrophobicContact CG-CD2 3.74Å; L480-I496 HydrophobicContact CD2-CD1 4.14Å; L480-I496 HydrophobicContact CD2-CG1 4.11Å; L480-L499 HydrophobicContact CD1-CD1 4.32Å
481A70.2Confident70Confident5 Ų530.5 Ų30.54%0.04118%0.178CC..Hα-helixtrans-57.4-44.4179.300000112.1L477 L478 H485 F523L477-A481 WeakPolarHBondContact O-CB 3.31Å; L477-A481 PolarHBondContact O-N 3.08Å; L478-A481 PolarHBondContact O-N 3.37Å; A481-H485 WeakPolarHBondContact O-CB 3.32Å; A481-H485 PolarHBondContact O-N 2.99Å; A481-F523 HydrophobicContact CB-CB 4.07Å; A481-F523 HydrophobicContact CB-CD1 4.11Å; A481-F523 HydrophobicContact CB-CD2 3.62Å; A481-F523 HydrophobicContact CB-CE2 4.05Å; A481-F523 HydrophobicContact CB-CG 3.65Å; A481-F523 HydrophobicContact CB-CZ 4.47Å
482I66.5Low71.2Confident1 Ų126.8 Ų26.81%0.00516%0.155CC..Hα-helixtrans-67.6-46.8178.5-67.1166.6000111L478 L479 L480 F484 H485 T486 C553 Q556 L557L478-I482 HydrophobicContact CD1-CD1 4.16Å; L478-I482 HydrophobicContact CD1-CG1 4.46Å; L478-I482 HydrophobicContact CG-CD1 3.92Å; L478-I482 VanDerWaalsContact O-CG1 3.26Å; L478-I482 WeakPolarHBondContact O-CG1 3.36Å; L478-I482 PolarHBondContact O-N 2.95Å; L479-I482 PolarHBondContact O-N 3.37Å; L480-I482 VanDerWaalsContact C-N 3.31Å; L480-I482 PolarHBondContact O-N 3.49Å; I482-F484 VanDerWaalsContact C-N 3.29Å; I482-F484 PolarHBondContact O-N 3.25Å; I482-H485 WeakPolarHBondContact O-CA 3.49Å; I482-H485 WeakPolarHBondContact O-CB 3.48Å; I482-H485 PolarHBondContact O-N 3.46Å; I482-H485 VanDerWaalsContact O-N 3.08Å; I482-T486 HydrophobicContact CG2-CG2 4.41Å; I482-T486 WeakPolarHBondContact O-CG2 3.33Å; I482-T486 PolarHBondContact O-N 2.63Å; I482-T486 PolarHBondContact O-OG1 3.45Å; I482-C553 HydrophobicContact CD1-CB 3.5Å; I482-C553 VanDerWaalsContact CD1-CB 3.5Å; I482-C553 WeakPolarHBondContact CD1-SG 3.13Å; I482-Q556 HydrophobicContact CG2-CB 3.78Å; I482-Q556 HydrophobicContact CG2-CG 3.5Å; I482-L557 HydrophobicContact CD1-CD1 4.16Å; I482-L557 HydrophobicContact CD1-CG 4.29Å; I482-L557 HydrophobicContact CG1-CD2 4.26Å; I482-L557 HydrophobicContact CG1-CG 4.38Å
483L69.8Low71.9Confident6 Ų628.2 Ų28.23%0.03116%0.163CC..Hα-helixtrans-64.1-35.3179.7-69.7175.2000112.2L479 L480 T486 N487 Q488 P491 I492 L495L479-L483 HydrophobicContact CD1-CD1 4.12Å; L479-L483 HydrophobicContact CD1-CG 4.07Å; L479-L483 HydrophobicContact CG-CD1 3.89Å; L479-L483 HydrophobicContact CG-CG 4.28Å; L479-L483 WeakPolarHBondContact O-CB 3.5Å; L479-L483 WeakPolarHBondContact O-CG 3.47Å; L479-L483 PolarHBondContact O-N 3.22Å; L480-L483 PolarHBondContact O-N 2.89Å; L483-T486 PolarHBondContact O-N 3.47Å; L483-T486 PolarHBondContact O-OG1 3.36Å; L483-N487 PolarHBondContact O-N 3.48Å; L483-N487 VanDerWaalsContact O-N 3.11Å; L483-Q488 PolarHBondContact O-N 3.02Å; L483-P491 HydrophobicContact CD1-CB 3.88Å; L483-P491 HydrophobicContact CD2-CB 3.73Å; L483-P491 HydrophobicContact CD2-CG 4.46Å; L483-P491 HydrophobicContact CG-CB 4.41Å; L483-I492 HydrophobicContact CB-CD1 4.18Å; L483-I492 HydrophobicContact CB-CG1 3.5Å; L483-I492 HydrophobicContact CD1-CG1 4.27Å; L483-L495 HydrophobicContact CD1-CD2 4.09Å
484F73.7Confident72.1Confident9 Ų933.4 Ų33.44%0.03919%0.187CC..Hα-helixtrans-63.8-41.4171.1-82.3-60.1000111.7I398 L480 I482 T486 N487 I492 I511 W514 R515 F518I398-F484 HydrophobicContact CG2-CE2 4.4Å; I398-F484 HydrophobicContact CG2-CZ 3.88Å; L480-F484 HydrophobicContact CB-CD2 4.33Å; L480-F484 HydrophobicContact CB-CE2 4.28Å; L480-F484 HydrophobicContact CD2-CD2 4.1Å; L480-F484 HydrophobicContact CD2-CE2 3.37Å; L480-F484 HydrophobicContact CD2-CZ 3.98Å; L480-F484 HydrophobicContact CG-CE2 4.44Å; L480-F484 WeakPolarHBondContact O-CB 3.29Å; L480-F484 WeakPolarHBondContact O-CD2 3.33Å; L480-F484 WeakPolarHBondContact O-CG 3.41Å; L480-F484 PolarHBondContact O-N 3.24Å; I482-F484 VanDerWaalsContact C-N 3.29Å; I482-F484 PolarHBondContact O-N 3.25Å; F484-T486 VanDerWaalsContact C-N 3.34Å; F484-N487 PolarHBondContact O-N 3.08Å; F484-I492 HydrophobicContact CD1-CD1 3.69Å; F484-I492 HydrophobicContact CE1-CD1 3.98Å; F484-I492 HydrophobicContact CE1-CG2 4.31Å; F484-I492 HydrophobicContact CG-CD1 4.15Å; F484-I492 HydrophobicContact CZ-CG2 4.11Å; F484-I511 HydrophobicContact CD1-CG2 4.4Å; F484-I511 HydrophobicContact CE1-CG2 3.61Å; F484-I511 HydrophobicContact CZ-CG2 4.38Å; F484-W514 HydrophobicContact CE1-CB 4.21Å; F484-W514 HydrophobicContact CZ-CB 4.08Å; F484-R515 HydrophobicContact CD1-CB 4.1Å; F484-R515 HydrophobicContact CD1-CG 4.31Å; F484-F518 HydrophobicContact CD2-CB 4.46Å; F484-F518 HydrophobicContact CD2-CD1 4.37Å; F484-F518 HydrophobicContact CD2-CG 4.27Å; F484-F518 HydrophobicContact CE2-CD2 4.43Å; F484-F518 HydrophobicContact CE2-CG 4.43Å
485H69.5Low72.6Confident38 Ų3833.8 Ų33.818%0.17619%0.189CC..Hα-helixtrans-65.8-36.7176.6-171-72.2000112.1A481 I482 N487 F519A481-H485 WeakPolarHBondContact O-CB 3.32Å; A481-H485 PolarHBondContact O-N 2.99Å; I482-H485 WeakPolarHBondContact O-CA 3.49Å; I482-H485 WeakPolarHBondContact O-CB 3.48Å; I482-H485 PolarHBondContact O-N 3.46Å; I482-H485 VanDerWaalsContact O-N 3.08Å; H485-N487 VanDerWaalsContact C-N 3.29Å; H485-N487 PolarHBondContact O-N 3.11Å; H485-F519 AromaticContact CD2-CD2 4Å; H485-F519 AromaticContact CD2-CE2 3.61Å; H485-F519 AromaticContact NE2-CE2 3.84Å
486T67.5Low73.2Confident27 Ų2730.3 Ų30.317%0.16617%0.173CC..THydrogen-bonded Turntrans-86.91.1-179.563.70000114.3I482 L483 F484 Q488 Q556I482-T486 HydrophobicContact CG2-CG2 4.41Å; I482-T486 WeakPolarHBondContact O-CG2 3.33Å; I482-T486 PolarHBondContact O-N 2.63Å; I482-T486 PolarHBondContact O-OG1 3.45Å; L483-T486 PolarHBondContact O-N 3.47Å; L483-T486 PolarHBondContact O-OG1 3.36Å; F484-T486 VanDerWaalsContact C-N 3.34Å; T486-Q488 VanDerWaalsContact C-N 3.32Å; T486-Q488 PolarHBondContact O-N 3.28Å; T486-Q556 HydrophobicContact CG2-CG 3.52Å; T486-Q556 PolarHBondContact OG1-NE2 3.29Å
487N72.6Confident73.7Confident87 Ų8730.3 Ų30.347%0.46517%0.173SC..THydrogen-bonded Turntrans53.745.6177-168.740.5000113.2L483 F484 H485 P489 R515L483-N487 PolarHBondContact O-N 3.48Å; L483-N487 VanDerWaalsContact O-N 3.11Å; F484-N487 PolarHBondContact O-N 3.08Å; H485-N487 VanDerWaalsContact C-N 3.29Å; H485-N487 PolarHBondContact O-N 3.11Å; N487-P489 WeakPolarHBondContact O-CD 3.35Å; N487-R515 VanDerWaalsContact CG-NH1 3.29Å; N487-R515 PolarHBondContact OD1-NH1 2.88Å
488Q73.6Confident74Confident69 Ų6935.1 Ų35.132%0.32220%0.199SC..  trans-105.585.3177.5-67.1-175-14.100110.4L483 T486 G490 P491 I492 Q556L483-Q488 PolarHBondContact O-N 3.02Å; T486-Q488 VanDerWaalsContact C-N 3.32Å; T486-Q488 PolarHBondContact O-N 3.28Å; Q488-G490 VanDerWaalsContact C-N 3.29Å; Q488-G490 PolarHBondContact O-N 3.3Å; Q488-P491 HydrophobicContact CB-CG 3.98Å; Q488-P491 WeakPolarHBondContact O-CD 3.38Å; Q488-I492 WeakPolarHBondContact O-CD1 3.23Å; Q488-I492 VanDerWaalsContact O-CG1 3.29Å; Q488-I492 WeakPolarHBondContact O-CG1 3.2Å; Q488-I492 PolarHBondContact O-N 3.41Å; Q488-Q556 VanDerWaalsContact NE2-NE2 3.15Å
489P73.5Confident74.5Confident63 Ų6336 Ų3641%0.40920%0.204SC..Hα-helixtrans-63.6-31.8-174.725.2-34.7000113.3N487 I492 T493N487-P489 WeakPolarHBondContact O-CD 3.35Å; P489-I492 PolarHBondContact O-N 3.29Å; P489-T493 WeakPolarHBondContact O-CG2 3.29Å; P489-T493 PolarHBondContact O-N 2.87Å; P489-T493 PolarHBondContact O-OG1 2.91Å
490G78.4Confident75Confident37 Ų3735.1 Ų35.138%0.38120%0.199SC..Hα-helixtrans-58.8-61.7178.500000112.9Q488 I492 T493 E494Q488-G490 VanDerWaalsContact C-N 3.29Å; Q488-G490 PolarHBondContact O-N 3.3Å; G490-I492 PolarHBondContact O-N 3.4Å; G490-T493 PolarHBondContact O-N 3.28Å; G490-T493 PolarHBondContact O-OG1 3.36Å; G490-E494 PolarHBondContact O-N 2.85Å
491P77Confident75.1Confident50 Ų5038.1 Ų38.133%0.32523%0.23SC..Hα-helixtrans-55.3-34.1174.7-29.335.6000114.3L483 Q488 E494 L495L483-P491 HydrophobicContact CD1-CB 3.88Å; L483-P491 HydrophobicContact CD2-CB 3.73Å; L483-P491 HydrophobicContact CD2-CG 4.46Å; L483-P491 HydrophobicContact CG-CB 4.41Å; Q488-P491 HydrophobicContact CB-CG 3.98Å; Q488-P491 WeakPolarHBondContact O-CD 3.38Å; P491-E494 PolarHBondContact O-N 3.39Å; P491-L495 VanDerWaalsContact O-CB 3.28Å; P491-L495 WeakPolarHBondContact O-CB 3.29Å; P491-L495 PolarHBondContact O-N 3.37Å
492I74.4Confident75.3Confident3 Ų338.3 Ų38.32%0.01523%0.23CC..Hα-helixtrans-65.2-48.2175.1-60.5166.7000110.4L480 L483 F484 Q488 P489 G490 E494 L495 I496 I511L480-I492 HydrophobicContact CD2-CG2 3.91Å; L483-I492 HydrophobicContact CB-CD1 4.18Å; L483-I492 HydrophobicContact CB-CG1 3.5Å; L483-I492 HydrophobicContact CD1-CG1 4.27Å; F484-I492 HydrophobicContact CD1-CD1 3.69Å; F484-I492 HydrophobicContact CE1-CD1 3.98Å; F484-I492 HydrophobicContact CE1-CG2 4.31Å; F484-I492 HydrophobicContact CG-CD1 4.15Å; F484-I492 HydrophobicContact CZ-CG2 4.11Å; Q488-I492 WeakPolarHBondContact O-CD1 3.23Å; Q488-I492 VanDerWaalsContact O-CG1 3.29Å; Q488-I492 WeakPolarHBondContact O-CG1 3.2Å; Q488-I492 PolarHBondContact O-N 3.41Å; P489-I492 PolarHBondContact O-N 3.29Å; G490-I492 PolarHBondContact O-N 3.4Å; I492-E494 VanDerWaalsContact C-N 3.27Å; I492-E494 PolarHBondContact O-N 2.82Å; I492-L495 PolarHBondContact O-N 3.42Å; I492-I496 HydrophobicContact CG2-CD1 3.68Å; I492-I496 HydrophobicContact CG2-CG1 4.35Å; I492-I496 WeakPolarHBondContact O-CB 3.48Å; I492-I496 WeakPolarHBondContact O-CG1 3.5Å; I492-I496 PolarHBondContact O-N 3.45Å; I492-I511 HydrophobicContact CB-CD1 4.28Å; I492-I511 HydrophobicContact CB-CG2 4.37Å; I492-I511 HydrophobicContact CD1-CG2 3.95Å; I492-I511 HydrophobicContact CG2-CD1 3.78Å; I492-I511 HydrophobicContact CG2-CG1 4.09Å; I492-I511 HydrophobicContact CG2-CG2 3.93Å
493T78.4Confident75.5Confident39 Ų3948.1 Ų48.124%0.23927%0.267CS..Hα-helixtrans-61-38.6177.354.80000111.8P489 G490 S497 L507 I511P489-T493 WeakPolarHBondContact O-CG2 3.29Å; P489-T493 PolarHBondContact O-N 2.87Å; P489-T493 PolarHBondContact O-OG1 2.91Å; G490-T493 PolarHBondContact O-N 3.28Å; G490-T493 PolarHBondContact O-OG1 3.36Å; T493-S497 WeakPolarHBondContact O-CB 3.36Å; T493-S497 PolarHBondContact O-N 2.91Å; T493-S497 PolarHBondContact O-OG 3.03Å; T493-L507 HydrophobicContact CG2-CD2 4.23Å; T493-L507 HydrophobicContact CG2-CG 4.2Å; T493-I511 HydrophobicContact CG2-CD1 3.28Å
494E77.7Confident75.5Confident116 Ų11648.3 Ų48.354%0.54227%0.268SS..Hα-helixtrans-68.2-46.3178.6-173.3174.2-17100111.5G490 P491 I492 I496 S497 N498G490-E494 PolarHBondContact O-N 2.85Å; P491-E494 PolarHBondContact O-N 3.39Å; I492-E494 VanDerWaalsContact C-N 3.27Å; I492-E494 PolarHBondContact O-N 2.82Å; E494-I496 PolarHBondContact O-N 3.37Å; E494-S497 PolarHBondContact O-N 2.89Å; E494-N498 WeakPolarHBondContact O-CB 3.38Å; E494-N498 PolarHBondContact O-N 3.35Å; E494-N498 PolarHBondContact O-ND2 2.94Å; E494-N498 PolarHBondContact O-OD1 2.81Å
495L77.8Confident75Confident26 Ų2653.5 Ų53.514%0.13630%0.303CS..Hα-helixtrans-60.3-48176.617963.3000111.7L479 L480 L483 P491 I492 S497 N498 L499L479-L495 HydrophobicContact CB-CD2 4.01Å; L479-L495 HydrophobicContact CD2-CD1 3.86Å; L479-L495 HydrophobicContact CD2-CD2 3.7Å; L479-L495 HydrophobicContact CD2-CG 4.38Å; L479-L495 HydrophobicContact CG-CD2 3.76Å; L480-L495 HydrophobicContact CD1-CD2 4.13Å; L480-L495 HydrophobicContact CG-CD2 3.74Å; L483-L495 HydrophobicContact CD1-CD2 4.09Å; P491-L495 VanDerWaalsContact O-CB 3.28Å; P491-L495 WeakPolarHBondContact O-CB 3.29Å; P491-L495 PolarHBondContact O-N 3.37Å; I492-L495 PolarHBondContact O-N 3.42Å; L495-S497 VanDerWaalsContact C-N 3.32Å; L495-S497 PolarHBondContact O-N 3.08Å; L495-N498 PolarHBondContact O-N 3.07Å; L495-L499 HydrophobicContact CD1-CD1 4.36Å; L495-L499 HydrophobicContact CD1-CG 4.44Å; L495-L499 HydrophobicContact CG-CD1 4.19Å; L495-L499 VanDerWaalsContact O-CG 3.29Å; L495-L499 WeakPolarHBondContact O-CG 3.38Å; L495-L499 PolarHBondContact O-N 3.36Å
496I80.7Confident74.7Confident0 Ų054.1 Ų54.10%031%0.312CS..Hα-helixtrans-63.9-40.1176.8-66.8170.1000110.4A395 I398 L480 I492 E494 N498 L499 L500 L507 I511A395-I496 HydrophobicContact CB-CG2 4.24Å; I398-I496 HydrophobicContact CB-CD1 4.41Å; I398-I496 HydrophobicContact CG2-CD1 3.7Å; L480-I496 HydrophobicContact CD2-CD1 4.14Å; L480-I496 HydrophobicContact CD2-CG1 4.11Å; I492-I496 HydrophobicContact CG2-CD1 3.68Å; I492-I496 HydrophobicContact CG2-CG1 4.35Å; I492-I496 WeakPolarHBondContact O-CB 3.48Å; I492-I496 WeakPolarHBondContact O-CG1 3.5Å; I492-I496 PolarHBondContact O-N 3.45Å; E494-I496 PolarHBondContact O-N 3.37Å; I496-N498 VanDerWaalsContact C-N 3.31Å; I496-N498 PolarHBondContact O-N 3.03Å; I496-L499 PolarHBondContact O-N 3.36Å; I496-L500 HydrophobicContact CG2-CD1 3.71Å; I496-L500 HydrophobicContact CG2-CG 4.19Å; I496-L500 WeakPolarHBondContact O-CB 3.4Å; I496-L500 VanDerWaalsContact O-CG 3.29Å; I496-L500 WeakPolarHBondContact O-CG 3.42Å; I496-L500 PolarHBondContact O-N 3.17Å; I496-L507 HydrophobicContact CB-CD2 3.9Å; I496-L507 HydrophobicContact CD1-CD1 4.45Å; I496-L507 HydrophobicContact CG2-CD1 3.88Å; I496-L507 HydrophobicContact CG2-CD2 3.69Å; I496-L507 HydrophobicContact CG2-CG 4.41Å; I496-I511 HydrophobicContact CD1-CD1 4.33Å; I496-I511 HydrophobicContact CD1-CG1 4.3Å
497S80.2Confident74.8Confident13 Ų1353 Ų539%0.09130%0.304CS..Hα-helixtrans-63.4-38.3176.5-61.90000111.9T493 E494 L495 G501 L502T493-S497 WeakPolarHBondContact O-CB 3.36Å; T493-S497 PolarHBondContact O-N 2.91Å; T493-S497 PolarHBondContact O-OG 3.03Å; E494-S497 PolarHBondContact O-N 2.89Å; L495-S497 VanDerWaalsContact C-N 3.32Å; L495-S497 PolarHBondContact O-N 3.08Å; S497-G501 CarbonylContact O-C 3.27Å; S497-G501 WeakPolarHBondContact O-CA 3.49Å; S497-G501 PolarHBondContact O-N 3.42Å; S497-L502 VanDerWaalsContact CA-O 3.3Å; S497-L502 WeakPolarHBondContact CA-O 3.5Å; S497-L502 WeakPolarHBondContact CB-O 3.45Å; S497-L502 PolarHBondContact O-N 3.07Å
498N79.7Confident74.5Confident106 Ų10650.6 Ų50.657%0.56730%0.3SS*.Hα-helixtrans-69.3-41.6177.1-69.9-16.4000111.3E494 L495 I496 G501E494-N498 WeakPolarHBondContact O-CB 3.38Å; E494-N498 PolarHBondContact O-N 3.35Å; E494-N498 PolarHBondContact O-ND2 2.94Å; E494-N498 PolarHBondContact O-OD1 2.81Å; L495-N498 PolarHBondContact O-N 3.07Å; I496-N498 VanDerWaalsContact C-N 3.31Å; I496-N498 PolarHBondContact O-N 3.03Å; N498-G501 PolarHBondContact O-N 3.4Å
499L79.9Confident74.2Confident39 Ų3958.4 Ų58.420%0.20433%0.327CS..Hα-helixtrans-66.1-39.5175.5-69.6171.6000112.2Y392 A395 P476 L480 L495 I496 G501Y392-L499 VanDerWaalsContact CD2-O 3.31Å; Y392-L499 WeakPolarHBondContact CD2-O 3.26Å; A395-L499 HydrophobicContact CB-CB 3.57Å; A395-L499 HydrophobicContact CB-CD1 4.02Å; A395-L499 HydrophobicContact CB-CG 4.47Å; P476-L499 HydrophobicContact CB-CD1 3.89Å; P476-L499 HydrophobicContact CB-CD2 4.09Å; P476-L499 HydrophobicContact CG-CD2 4.29Å; L480-L499 HydrophobicContact CD1-CD1 4.32Å; L495-L499 HydrophobicContact CD1-CD1 4.36Å; L495-L499 HydrophobicContact CD1-CG 4.44Å; L495-L499 HydrophobicContact CG-CD1 4.19Å; L495-L499 VanDerWaalsContact O-CG 3.29Å; L495-L499 WeakPolarHBondContact O-CG 3.38Å; L495-L499 PolarHBondContact O-N 3.36Å; I496-L499 PolarHBondContact O-N 3.36Å; L499-G501 VanDerWaalsContact C-N 3.31Å
500L80.6Confident74Confident3 Ų356.3 Ų56.32%0.01631%0.313CS..Hα-helixtrans-76.1-19.2176.2-68.7176.4000113.1Y392 A395 F396 I496 L502 I504Y392-L500 HydrophobicContact CD1-CD2 4.37Å; Y392-L500 HydrophobicContact CD2-CD2 4.49Å; Y392-L500 HydrophobicContact CE1-CD2 3.83Å; Y392-L500 HydrophobicContact CE2-CB 4.43Å; Y392-L500 HydrophobicContact CE2-CD2 4.01Å; Y392-L500 WeakPolarHBondContact CE2-O 3.2Å; Y392-L500 PolarHBondContact OH-O 3.16Å; A395-L500 HydrophobicContact CB-CD2 3.9Å; A395-L500 HydrophobicContact CB-CG 3.89Å; F396-L500 HydrophobicContact CB-CD2 4.14Å; F396-L500 HydrophobicContact CD2-CD2 4.5Å; I496-L500 HydrophobicContact CG2-CD1 3.71Å; I496-L500 HydrophobicContact CG2-CG 4.19Å; I496-L500 WeakPolarHBondContact O-CB 3.4Å; I496-L500 VanDerWaalsContact O-CG 3.29Å; I496-L500 WeakPolarHBondContact O-CG 3.42Å; I496-L500 PolarHBondContact O-N 3.17Å; L500-L502 HydrophobicContact CB-CB 4.36Å; L500-L502 PolarHBondContact O-N 3.17Å; L500-I504 HydrophobicContact CD1-CD1 4Å
501G74.4Confident73.6Confident64 Ų6454.7 Ų54.766%0.6630%0.295SS*.THydrogen-bonded Turntrans6717.5-169.400000113.7S497 N498 L499S497-G501 CarbonylContact O-C 3.27Å; S497-G501 WeakPolarHBondContact O-CA 3.49Å; S497-G501 PolarHBondContact O-N 3.42Å; N498-G501 PolarHBondContact O-N 3.4Å; L499-G501 VanDerWaalsContact C-N 3.31Å
502L74.8Confident73.2Confident9 Ų956.8 Ų56.85%0.04730%0.304CS..SBendtrans-141.1126.6-170.2-68.6171.6000110.4L292 A354 A355 F359 S497 L500 I504L292-L502 HydrophobicContact CD2-CD1 4.42Å; L292-L502 HydrophobicContact CD2-CD2 3.75Å; L292-L502 HydrophobicContact CD2-CG 4.45Å; A354-L502 HydrophobicContact CB-CD1 3.67Å; A355-L502 HydrophobicContact CB-CD1 4.05Å; A355-L502 HydrophobicContact CB-CD2 4.48Å; F359-L502 HydrophobicContact CE2-CD2 3.76Å; F359-L502 HydrophobicContact CZ-CD2 3.87Å; S497-L502 VanDerWaalsContact CA-O 3.3Å; S497-L502 WeakPolarHBondContact CA-O 3.5Å; S497-L502 WeakPolarHBondContact CB-O 3.45Å; S497-L502 PolarHBondContact O-N 3.07Å; L500-L502 HydrophobicContact CB-CB 4.36Å; L500-L502 PolarHBondContact O-N 3.17Å; L502-I504 HydrophobicContact CB-CD1 4.35Å; L502-I504 HydrophobicContact CB-CG1 4.1Å; L502-I504 PolarHBondContact O-N 3.35Å
503R70.3Confident72.9Confident207 Ų20758.1 Ų58.178%0.78132%0.318SS*.  trans-84.9104170.2-71-175.5-179.7175.7-0.3109.5
504I69.7Low72.6Confident9 Ų956.3 Ų56.35%0.04631%0.307CS..  trans-103.4114.1-175.9-59.6176.7000109.5L400 L500 L502 S506 L507L400-I504 HydrophobicContact CD1-CD1 4.49Å; L400-I504 HydrophobicContact CD2-CD1 4.01Å; L500-I504 HydrophobicContact CD1-CD1 4Å; L502-I504 HydrophobicContact CB-CD1 4.35Å; L502-I504 HydrophobicContact CB-CG1 4.1Å; L502-I504 PolarHBondContact O-N 3.35Å; I504-S506 VanDerWaalsContact C-N 3.28Å; I504-S506 WeakPolarHBondContact CG2-OG 3.36Å; I504-S506 PolarHBondContact O-N 3.19Å; I504-L507 HydrophobicContact CB-CB 4.48Å; I504-L507 WeakPolarHBondContact O-CB 3.43Å; I504-L507 PolarHBondContact O-N 3.09Å
505P64.5Low72.2Confident119 Ų11955.3 Ų55.377%0.77330%0.298SS*.THydrogen-bonded Turntrans-61-30.5-177-25.434.3000114.7L507P505-L507 PolarHBondContact O-N 3.25Å
506S63.6Low71.8Confident51 Ų5160.9 Ų60.936%0.35732%0.321SS..THydrogen-bonded Turntrans-76.3-5.5-177.262.20000114.5I504 G508I504-S506 VanDerWaalsContact C-N 3.28Å; I504-S506 WeakPolarHBondContact CG2-OG 3.36Å; I504-S506 PolarHBondContact O-N 3.19Å; S506-G508 VanDerWaalsContact C-N 3.33Å; S506-G508 PolarHBondContact O-N 3.45Å
507L68.4Low71.2Confident2 Ų262.2 Ų62.21%0.0133%0.328CS..Hα-helixtrans-66.2-30.2-170.1-174.562.8000113.7G399 T493 I496 I504 P505 R509 T510 I511G399-L507 WeakPolarHBondContact O-CD1 3.25Å; T493-L507 HydrophobicContact CG2-CD2 4.23Å; T493-L507 HydrophobicContact CG2-CG 4.2Å; I496-L507 HydrophobicContact CB-CD2 3.9Å; I496-L507 HydrophobicContact CD1-CD1 4.45Å; I496-L507 HydrophobicContact CG2-CD1 3.88Å; I496-L507 HydrophobicContact CG2-CD2 3.69Å; I496-L507 HydrophobicContact CG2-CG 4.41Å; I504-L507 HydrophobicContact CB-CB 4.48Å; I504-L507 WeakPolarHBondContact O-CB 3.43Å; I504-L507 PolarHBondContact O-N 3.09Å; P505-L507 PolarHBondContact O-N 3.25Å; L507-R509 VanDerWaalsContact C-N 3.29Å; L507-R509 PolarHBondContact O-N 3.04Å; L507-T510 PolarHBondContact O-N 3.42Å; L507-T510 PolarHBondContact O-OG1 2.9Å; L507-I511 HydrophobicContact CG-CD1 4.06Å; L507-I511 WeakPolarHBondContact O-CD1 3.46Å; L507-I511 WeakPolarHBondContact O-CG1 3.28Å
508G67.6Low70.6Confident37 Ų3761.7 Ų61.738%0.38133%0.325SS..Hα-helixtrans-62-30.7-176.300000114.7S506S506-G508 VanDerWaalsContact C-N 3.33Å; S506-G508 PolarHBondContact O-N 3.45Å
509R67.1Low69.9Low233 Ų23360.7 Ų60.788%0.87932%0.315SS*.Hα-helixtrans-77.6-31.1-176.1-65.4-176.4-171.1169.33113.2L507L507-R509 VanDerWaalsContact C-N 3.29Å; L507-R509 PolarHBondContact O-N 3.04Å
510T67.8Low69.3Low19 Ų1965.1 Ų65.112%0.11734%0.335CS..Hα-helixtrans-78.5-31-175.651.80000112.7G399 L507 N512 G513G399-T510 PolarHBondContact O-OG1 3.37Å; L507-T510 PolarHBondContact O-N 3.42Å; L507-T510 PolarHBondContact O-OG1 2.9Å; T510-N512 VanDerWaalsContact C-N 3.33Å; T510-N512 PolarHBondContact O-N 3.34Å; T510-G513 PolarHBondContact O-N 3.38Å
511I70.1Confident68.7Low3 Ų367.2 Ų67.22%0.01535%0.348CS..Hα-helixtrans-58.9-39.1-177.5-70.8168.1000112.5F484 I492 T493 I496 L507 G513 W514 R515F484-I511 HydrophobicContact CD1-CG2 4.4Å; F484-I511 HydrophobicContact CE1-CG2 3.61Å; F484-I511 HydrophobicContact CZ-CG2 4.38Å; I492-I511 HydrophobicContact CB-CD1 4.28Å; I492-I511 HydrophobicContact CB-CG2 4.37Å; I492-I511 HydrophobicContact CD1-CG2 3.95Å; I492-I511 HydrophobicContact CG2-CD1 3.78Å; I492-I511 HydrophobicContact CG2-CG1 4.09Å; I492-I511 HydrophobicContact CG2-CG2 3.93Å; T493-I511 HydrophobicContact CG2-CD1 3.28Å; I496-I511 HydrophobicContact CD1-CD1 4.33Å; I496-I511 HydrophobicContact CD1-CG1 4.3Å; L507-I511 HydrophobicContact CG-CD1 4.06Å; L507-I511 WeakPolarHBondContact O-CD1 3.46Å; L507-I511 WeakPolarHBondContact O-CG1 3.28Å; I511-G513 VanDerWaalsContact C-N 3.27Å; I511-G513 PolarHBondContact O-N 3.46Å; I511-W514 PolarHBondContact O-N 3.41Å; I511-R515 PolarHBondContact O-N 3.24Å
512N68.5Low68.3Low95 Ų9564.6 Ų64.651%0.50832%0.319SS..Hα-helixtrans-63.8-31.7-178.8-76.6-16.3000113.2T510T510-N512 VanDerWaalsContact C-N 3.33Å; T510-N512 PolarHBondContact O-N 3.34Å
513G68.8Low67.8Low30 Ų3064.3 Ų64.331%0.30932%0.317SS..Hα-helixtrans-69.2-39.5176.300000112.3T510 I511T510-G513 PolarHBondContact O-N 3.38Å; I511-G513 VanDerWaalsContact C-N 3.27Å; I511-G513 PolarHBondContact O-N 3.46Å
514W72.1Confident67.6Low1 Ų157.3 Ų57.30%0.00430%0.298CS..Hα-helixtrans-70.4-29.5178.3-79.5109000113.5I398 R401 I433 F484 I511 K516 L517 F518I398-W514 HydrophobicContact CG2-CG 4.2Å; I398-W514 VanDerWaalsContact O-CD1 3.24Å; I398-W514 PolarHBondContact O-NE1 3.38Å; I398-W514 VanDerWaalsContact O-NE1 3.14Å; R401-W514 HydrophobicContact CG-CZ2 4.33Å; I433-W514 HydrophobicContact CB-CH2 3.8Å; I433-W514 HydrophobicContact CD1-CH2 3.49Å; I433-W514 VanDerWaalsContact CD1-CH2 3.49Å; I433-W514 HydrophobicContact CD1-CZ2 3.65Å; I433-W514 HydrophobicContact CG1-CH2 4.23Å; I433-W514 HydrophobicContact CG2-CH2 3.46Å; I433-W514 VanDerWaalsContact CG2-CH2 3.46Å; I433-W514 HydrophobicContact CG2-CZ2 4.35Å; I433-W514 HydrophobicContact CG2-CZ3 4.01Å; F484-W514 HydrophobicContact CE1-CB 4.21Å; F484-W514 HydrophobicContact CZ-CB 4.08Å; I511-W514 PolarHBondContact O-N 3.41Å; W514-K516 VanDerWaalsContact C-N 3.33Å; W514-K516 PolarHBondContact O-N 2.8Å; W514-L517 HydrophobicContact CE3-CB 4.31Å; W514-L517 HydrophobicContact CE3-CD1 4.28Å; W514-L517 HydrophobicContact CZ3-CD1 4.42Å; W514-L517 PolarHBondContact O-N 3.49Å; W514-L517 VanDerWaalsContact O-N 3.15Å; W514-F518 AromaticContact CE3-CD2 3.85Å; W514-F518 HydrophobicContact CE3-CD2 3.85Å; W514-F518 HydrophobicContact CE3-CE2 4.09Å; W514-F518 HydrophobicContact CZ3-CE2 4.48Å; W514-F518 WeakPolarHBondContact O-CB 3.34Å; W514-F518 PolarHBondContact O-N 3.36Å
515R69.7Low67.2Low95 Ų9560 Ų6036%0.35831%0.31SS..Hα-helixtrans-53.3-47.1-179.4-167-176.278.8-168.34.5112.8F484 N487 I511 F519F484-R515 HydrophobicContact CD1-CB 4.1Å; F484-R515 HydrophobicContact CD1-CG 4.31Å; N487-R515 VanDerWaalsContact CG-NH1 3.29Å; N487-R515 PolarHBondContact OD1-NH1 2.88Å; I511-R515 PolarHBondContact O-N 3.24Å; R515-F519 WeakPolarHBondContact O-CB 3.36Å; R515-F519 PolarHBondContact O-N 3Å; R515-F519 VanDerWaalsContact O-N 3.13Å
516K69Low67Low143 Ų14359.7 Ų59.762%0.62230%0.302SS*.Hα-helixtrans-65-44.4179.4-73.5-174.2179.3-178.90111.4W514 Q520W514-K516 VanDerWaalsContact C-N 3.33Å; W514-K516 PolarHBondContact O-N 2.8Å; K516-Q520 VanDerWaalsContact O-CB 3.25Å; K516-Q520 WeakPolarHBondContact O-CB 3.16Å; K516-Q520 VanDerWaalsContact O-CG 3.24Å; K516-Q520 WeakPolarHBondContact O-CG 3.32Å; K516-Q520 PolarHBondContact O-N 3.28Å
517L67.7Low67Low28 Ų2860.4 Ų60.415%0.14730%0.3CS..Hα-helixtrans-67.6-50.5-179.2-70.5164.6000112E430 I434 W514 F519 Q520 T521E430-L517 HydrophobicContact CB-CD1 4.3Å; E430-L517 HydrophobicContact CG-CD1 3.77Å; E430-L517 WeakPolarHBondContact OE1-CD1 3.23Å; I434-L517 HydrophobicContact CD1-CD2 4.32Å; W514-L517 HydrophobicContact CE3-CB 4.31Å; W514-L517 HydrophobicContact CE3-CD1 4.28Å; W514-L517 HydrophobicContact CZ3-CD1 4.42Å; W514-L517 PolarHBondContact O-N 3.49Å; W514-L517 VanDerWaalsContact O-N 3.15Å; L517-F519 VanDerWaalsContact C-N 3.29Å; L517-F519 PolarHBondContact O-N 3.47Å; L517-Q520 PolarHBondContact O-N 3.42Å; L517-T521 WeakPolarHBondContact O-CB 3.43Å; L517-T521 PolarHBondContact O-N 2.91Å; L517-T521 PolarHBondContact O-OG1 3.48Å
518F68.2Low66.7Low3 Ų360.6 Ų60.61%0.01330%0.301CS..Iπ-helixtrans-57.6-43.9178.7-110.6-97.5000111.4I398 L437 L477 F484 W514 V522 F523I398-F518 HydrophobicContact CD1-CE2 3.79Å; I398-F518 HydrophobicContact CD1-CZ 3.86Å; I398-F518 HydrophobicContact CG1-CE2 4.15Å; L437-F518 HydrophobicContact CD1-CE1 4.5Å; L437-F518 HydrophobicContact CD1-CE2 3.73Å; L437-F518 HydrophobicContact CD1-CZ 3.61Å; L437-F518 HydrophobicContact CD2-CZ 4.38Å; L477-F518 HydrophobicContact CD1-CE1 4.05Å; L477-F518 HydrophobicContact CD1-CZ 4.19Å; F484-F518 HydrophobicContact CD2-CB 4.46Å; F484-F518 HydrophobicContact CD2-CD1 4.37Å; F484-F518 HydrophobicContact CD2-CG 4.27Å; F484-F518 HydrophobicContact CE2-CD2 4.43Å; F484-F518 HydrophobicContact CE2-CG 4.43Å; W514-F518 AromaticContact CE3-CD2 3.85Å; W514-F518 HydrophobicContact CE3-CD2 3.85Å; W514-F518 HydrophobicContact CE3-CE2 4.09Å; W514-F518 HydrophobicContact CZ3-CE2 4.48Å; W514-F518 WeakPolarHBondContact O-CB 3.34Å; W514-F518 PolarHBondContact O-N 3.36Å; F518-V522 HydrophobicContact CD1-CB 4.43Å; F518-V522 HydrophobicContact CE1-CG1 4.36Å; F518-V522 PolarHBondContact O-N 3.32Å; F518-F523 AromaticContact CD1-CD2 3.72Å; F518-F523 HydrophobicContact CD1-CD2 3.72Å; F518-F523 HydrophobicContact CD1-CE2 4.34Å; F518-F523 AromaticContact CE1-CD2 3.72Å; F518-F523 HydrophobicContact CE1-CD2 3.72Å; F518-F523 AromaticContact CE1-CE2 3.85Å; F518-F523 HydrophobicContact CE1-CE2 3.85Å; F518-F523 PolarHBondContact O-N 2.97Å
519F64.9Low66.3Low85 Ų8559.1 Ų59.137%0.37329%0.285SS..Iπ-helixtrans-67.5-37.8178.7-174.7-96000113.1H485 R515 L517 E525H485-F519 AromaticContact CD2-CD2 4Å; H485-F519 AromaticContact CD2-CE2 3.61Å; H485-F519 AromaticContact NE2-CE2 3.84Å; R515-F519 WeakPolarHBondContact O-CB 3.36Å; R515-F519 PolarHBondContact O-N 3Å; R515-F519 VanDerWaalsContact O-N 3.13Å; L517-F519 VanDerWaalsContact C-N 3.29Å; L517-F519 PolarHBondContact O-N 3.47Å; F519-E525 HydrophobicContact CE2-CG 3.87Å; F519-E525 HydrophobicContact CZ-CG 3.76Å; F519-E525 WeakPolarHBondContact CZ-OE1 3.49Å
520Q67.8Low66Low132 Ų13252.7 Ų52.762%0.61727%0.268SS*.Iπ-helixtrans-87.9-30.2-175.6-71.6178.4-22.400114.2K516 L517K516-Q520 VanDerWaalsContact O-CB 3.25Å; K516-Q520 WeakPolarHBondContact O-CB 3.16Å; K516-Q520 VanDerWaalsContact O-CG 3.24Å; K516-Q520 WeakPolarHBondContact O-CG 3.32Å; K516-Q520 PolarHBondContact O-N 3.28Å; L517-Q520 PolarHBondContact O-N 3.42Å
521T67Low65.7Low47 Ų4752.9 Ų52.929%0.28827%0.268SS..Iπ-helixtrans-122.1-30.5-163.464.20000115.3I434 Q438 L517I434-T521 HydrophobicContact CD1-CG2 4.13Å; I434-T521 WeakPolarHBondContact CD1-OG1 3.43Å; Q438-T521 PolarHBondContact NE2-O 3.25Å; L517-T521 WeakPolarHBondContact O-CB 3.43Å; L517-T521 PolarHBondContact O-N 2.91Å; L517-T521 PolarHBondContact O-OG1 3.48Å
522V65.8Low65.3Low8 Ų853.3 Ų53.35%0.04827%0.271CS..Iπ-helixtrans-109.3-52.5-173.3-1750000111.7I434 L437 I441 F518I434-V522 HydrophobicContact CG1-CG2 4.13Å; I434-V522 HydrophobicContact CG2-CG2 4.31Å; L437-V522 HydrophobicContact CB-CG1 3.77Å; L437-V522 HydrophobicContact CB-CG2 4.24Å; L437-V522 HydrophobicContact CD1-CG1 4.07Å; L437-V522 HydrophobicContact CD1-CG2 3.82Å; L437-V522 HydrophobicContact CG-CG1 4.44Å; I441-V522 HydrophobicContact CD1-CG1 3.7Å; F518-V522 HydrophobicContact CD1-CB 4.43Å; F518-V522 HydrophobicContact CE1-CG1 4.36Å; F518-V522 PolarHBondContact O-N 3.32Å
523F65.7Low64.9Low4 Ų452.8 Ų52.82%0.01828%0.279CS..SBendtrans-119.875.7177-73.2-80000109.9I441 L477 A481 F518 M527 I528I441-F523 HydrophobicContact CD1-CE1 4.28Å; I441-F523 HydrophobicContact CD1-CE2 4.2Å; I441-F523 HydrophobicContact CD1-CZ 3.89Å; I441-F523 HydrophobicContact CG1-CZ 4.32Å; L477-F523 HydrophobicContact CD1-CE2 3.79Å; L477-F523 HydrophobicContact CD1-CZ 4.27Å; L477-F523 HydrophobicContact CD2-CE2 4.07Å; L477-F523 HydrophobicContact CD2-CZ 3.75Å; L477-F523 HydrophobicContact CG-CE2 3.68Å; L477-F523 HydrophobicContact CG-CZ 3.64Å; A481-F523 HydrophobicContact CB-CB 4.07Å; A481-F523 HydrophobicContact CB-CD1 4.11Å; A481-F523 HydrophobicContact CB-CD2 3.62Å; A481-F523 HydrophobicContact CB-CE2 4.05Å; A481-F523 HydrophobicContact CB-CG 3.65Å; A481-F523 HydrophobicContact CB-CZ 4.47Å; F518-F523 AromaticContact CD1-CD2 3.72Å; F518-F523 HydrophobicContact CD1-CD2 3.72Å; F518-F523 HydrophobicContact CD1-CE2 4.34Å; F518-F523 AromaticContact CE1-CD2 3.72Å; F518-F523 HydrophobicContact CE1-CD2 3.72Å; F518-F523 AromaticContact CE1-CE2 3.85Å; F518-F523 HydrophobicContact CE1-CE2 3.85Å; F518-F523 PolarHBondContact O-N 2.97Å; F523-M527 HydrophobicContact CD1-CG 4.21Å; F523-I528 HydrophobicContact CB-CD1 4.36Å; F523-I528 HydrophobicContact CB-CG1 4.09Å
524T66Low64.7Low60 Ų6060 Ų6037%0.36830%0.297SS..  trans-60.7156.2170.2600000110.3N526 M527 I528T524-N526 PolarHBondContact O-N 3.12Å; T524-M527 PolarHBondContact O-N 3.31Å; T524-M527 PolarHBondContact OG1-N 3.36Å; T524-I528 PolarHBondContact O-N 3.02Å; T524-I528 VanDerWaalsContact O-N 3.1Å
525E60.5Low64.7Low66 Ų6660.6 Ų60.631%0.30830%0.3SS..Hα-helixtrans-51.6-31.7178.8-69.1-173.8157.900112.4F519 A529 N566F519-E525 HydrophobicContact CE2-CG 3.87Å; F519-E525 HydrophobicContact CZ-CG 3.76Å; F519-E525 WeakPolarHBondContact CZ-OE1 3.49Å; E525-A529 WeakPolarHBondContact O-CB 3.32Å; E525-A529 PolarHBondContact O-N 2.96Å; E525-A529 VanDerWaalsContact O-N 3.09Å; E525-N566 PolarHBondContact O-ND2 3.07Å
526N61.4Low64.7Low112 Ų11260.1 Ų60.160%0.59931%0.31SS*.Hα-helixtrans-73.7-36.8177.3-162.121.6000113.4T524 A529 N530T524-N526 PolarHBondContact O-N 3.12Å; N526-A529 WeakPolarHBondContact O-CB 2.99Å; N526-A529 PolarHBondContact O-N 3.47Å; N526-N530 PolarHBondContact O-N 3.3Å
527M64Low65.2Low66 Ų6656.7 Ų56.733%0.32530%0.298SS..Hα-helixtrans-68.6-41.6175.4-172.364.494.300110.9I441 F523 T524 A529 N530 Q531I441-M527 HydrophobicContact CG2-CE 4.07Å; F523-M527 HydrophobicContact CD1-CG 4.21Å; T524-M527 PolarHBondContact O-N 3.31Å; T524-M527 PolarHBondContact OG1-N 3.36Å; M527-A529 VanDerWaalsContact C-N 3.3Å; M527-A529 PolarHBondContact O-N 3.07Å; M527-N530 PolarHBondContact O-N 3.47Å; M527-Q531 WeakPolarHBondContact O-CB 3.2Å; M527-Q531 PolarHBondContact O-N 3.5Å
528I61.9Low65.7Low6 Ų655.9 Ų55.93%0.03129%0.294CS..Hα-helixtrans-58.5-46.3173.4-61.5173.4000109.2F523 T524 N530 Q531 V532 L557F523-I528 HydrophobicContact CB-CD1 4.36Å; F523-I528 HydrophobicContact CB-CG1 4.09Å; T524-I528 PolarHBondContact O-N 3.02Å; T524-I528 VanDerWaalsContact O-N 3.1Å; I528-N530 PolarHBondContact O-N 3.03Å; I528-Q531 PolarHBondContact O-N 3.46Å; I528-V532 HydrophobicContact CG2-CG2 3.94Å; I528-V532 WeakPolarHBondContact O-CB 3.43Å; I528-V532 WeakPolarHBondContact O-CG2 3.39Å; I528-V532 PolarHBondContact O-N 3.2Å; I528-L557 HydrophobicContact CG2-CD2 3.83Å
529A58.6Low66.1Low5 Ų559.8 Ų59.84%0.04132%0.32CS..Hα-helixtrans-55.6-46.8176.700000113.5E525 N526 M527 V532 A533 N566 L568E525-A529 WeakPolarHBondContact O-CB 3.32Å; E525-A529 PolarHBondContact O-N 2.96Å; E525-A529 VanDerWaalsContact O-N 3.09Å; N526-A529 WeakPolarHBondContact O-CB 2.99Å; N526-A529 PolarHBondContact O-N 3.47Å; M527-A529 VanDerWaalsContact C-N 3.3Å; M527-A529 PolarHBondContact O-N 3.07Å; A529-V532 PolarHBondContact O-N 3.38Å; A529-A533 PolarHBondContact O-N 3.5Å; A529-N566 HydrophobicContact CB-CB 4.06Å; A529-L568 HydrophobicContact CB-CD1 3.7Å; A529-L568 HydrophobicContact CB-CD2 4.44Å; A529-L568 HydrophobicContact CB-CG 4.4Å
530N61.6Low66.8Low98 Ų9862.4 Ų62.452%0.52433%0.331SS..Hα-helixtrans-67.2-39.5179.2-75.5-21.5000112.8N526 M527 I528 V532N526-N530 PolarHBondContact O-N 3.3Å; M527-N530 PolarHBondContact O-N 3.47Å; I528-N530 PolarHBondContact O-N 3.03Å; N530-V532 VanDerWaalsContact C-N 3.33Å
531Q60Low67.5Low23 Ų2356.1 Ų56.111%0.10730%0.301CS..Hα-helixtrans-71.3-33.1179.1-156128.71.400111.6L478 M527 I528 A533 R534 I535L478-Q531 HydrophobicContact CD1-CG 4.22Å; M527-Q531 WeakPolarHBondContact O-CB 3.2Å; M527-Q531 PolarHBondContact O-N 3.5Å; I528-Q531 PolarHBondContact O-N 3.46Å; Q531-A533 VanDerWaalsContact C-N 3.33Å; Q531-A533 PolarHBondContact O-N 3.08Å; Q531-R534 WeakPolarHBondContact O-CB 3.43Å; Q531-R534 PolarHBondContact O-N 3.13Å; Q531-I535 PolarHBondContact O-N 2.88Å
532V62Low68.2Low12 Ų1254.7 Ų54.77%0.07329%0.293CS..Hα-helixtrans-65.3-35.1177.6166.90000112.5I528 A529 N530 R534 I535 L557 F563 L568I528-V532 HydrophobicContact CG2-CG2 3.94Å; I528-V532 WeakPolarHBondContact O-CB 3.43Å; I528-V532 WeakPolarHBondContact O-CG2 3.39Å; I528-V532 PolarHBondContact O-N 3.2Å; A529-V532 PolarHBondContact O-N 3.38Å; N530-V532 VanDerWaalsContact C-N 3.33Å; V532-R534 PolarHBondContact O-N 3.28Å; V532-R534 VanDerWaalsContact O-N 3.15Å; V532-I535 HydrophobicContact CB-CD1 4.22Å; V532-I535 HydrophobicContact CG1-CD1 4.21Å; V532-I535 HydrophobicContact CG2-CD1 3.99Å; V532-I535 PolarHBondContact O-N 3.02Å; V532-L557 HydrophobicContact CB-CD1 4.41Å; V532-L557 HydrophobicContact CG1-CD1 4.23Å; V532-L557 HydrophobicContact CG2-CD1 3.25Å; V532-L557 HydrophobicContact CG2-CD2 4.39Å; V532-L557 HydrophobicContact CG2-CG 4.44Å; V532-F563 HydrophobicContact CG1-CD1 4.15Å; V532-F563 HydrophobicContact CG1-CE1 3.14Å; V532-F563 HydrophobicContact CG1-CZ 3.58Å; V532-L568 HydrophobicContact CG1-CD1 4.36Å
533A60.7Low68.9Low84 Ų8459.1 Ų59.169%0.69431%0.309SS*.THydrogen-bonded Turntrans-62.4-1817200000113.4A529 Q531A529-A533 PolarHBondContact O-N 3.5Å; Q531-A533 VanDerWaalsContact C-N 3.33Å; Q531-A533 PolarHBondContact O-N 3.08Å
534R64.5Low69.3Low181 Ų18167.5 Ų67.568%0.68334%0.342SS*.THydrogen-bonded Turntrans-99.5-1179.4-61.7-178.8178.8-178.2-1.7113.9Q531 V532 P536Q531-R534 WeakPolarHBondContact O-CB 3.43Å; Q531-R534 PolarHBondContact O-N 3.13Å; V532-R534 PolarHBondContact O-N 3.28Å; V532-R534 VanDerWaalsContact O-N 3.15Å; R534-P536 VanDerWaalsContact O-CD 3.27Å; R534-P536 WeakPolarHBondContact O-CD 3.44Å; R534-P536 VanDerWaalsContact O-N 3.14Å
535I70.7Confident69.6Low14 Ų1467.4 Ų67.47%0.07234%0.339CS..  trans-61.9116-179.1-67.7173.2000109.3Q531 V532 P550 C553 L557 W573Q531-I535 PolarHBondContact O-N 2.88Å; V532-I535 HydrophobicContact CB-CD1 4.22Å; V532-I535 HydrophobicContact CG1-CD1 4.21Å; V532-I535 HydrophobicContact CG2-CD1 3.99Å; V532-I535 PolarHBondContact O-N 3.02Å; I535-P550 HydrophobicContact CG2-CB 3.64Å; I535-C553 HydrophobicContact CD1-CB 4.29Å; I535-L557 HydrophobicContact CD1-CD1 4.2Å; I535-W573 HydrophobicContact CG2-CZ2 4.14Å; I535-W573 PolarHBondContact O-NE1 3.47Å
536P71.1Confident69.6Low85 Ų8571 Ų7155%0.55237%0.365SS*.  trans-70.1149.6-179.829.2-33.9000110.8R534 P550R534-P536 VanDerWaalsContact O-CD 3.27Å; R534-P536 WeakPolarHBondContact O-CD 3.44Å; R534-P536 VanDerWaalsContact O-N 3.14Å; P536-P550 HydrophobicContact CG-CG 4.38Å; P536-P550 WeakPolarHBondContact O-CB 3.39Å
537I79.7Confident69.7Low72 Ų7268.2 Ų68.237%0.36936%0.362SS..  trans-67.5134169-65.2160.3000107.7P539 Q577 E580I537-P539 VanDerWaalsContact O-CD 3.25Å; I537-P539 WeakPolarHBondContact O-CD 3.4Å; I537-Q577 HydrophobicContact CG2-CB 4.4Å; I537-E580 HydrophobicContact CG2-CB 4.09Å; I537-E580 HydrophobicContact CG2-CG 3.88Å
538T77.7Confident70Confident11 Ų1167.1 Ų67.17%0.06736%0.357CS..  trans-80.5110.9176.9-54.30000108.8L541 T551 Q577T538-L541 HydrophobicContact CG2-CD1 4.03Å; T538-T551 PolarHBondContact OG1-OG1 3.25Å; T538-Q577 PolarHBondContact O-NE2 2.91Å
539P77.4Confident70.2Confident85 Ų8568 Ų6855%0.55236%0.361SS*.THydrogen-bonded Turntrans-70.3143.4-177.129.6-34.6000110.7I537 L541I537-P539 VanDerWaalsContact O-CD 3.25Å; I537-P539 WeakPolarHBondContact O-CD 3.4Å; P539-L541 VanDerWaalsContact C-N 3.32Å; P539-L541 PolarHBondContact O-N 2.75Å
540K78Confident70.8Confident139 Ų13969 Ų6960%0.60437%0.367SS*.THydrogen-bonded Turntrans54.740.2174.7-58.4-158.1172.2-173.70114.8S542 L545 E580 I582K540-S542 PolarHBondContact O-N 3.3Å; K540-S542 VanDerWaalsContact O-N 3.14Å; K540-L545 WeakPolarHBondContact O-CD1 3.24Å; K540-E580 CarbonylContact C-O 3.58Å; K540-E580 WeakPolarHBondContact CA-O 3.47Å; K540-E580 PolarHBondContact N-O 3.15Å; K540-E580 PolarHBondContact N-OE2 3.33Å; K540-I582 HydrophobicContact CB-CD1 3.59Å; K540-I582 HydrophobicContact CB-CG1 4.33Å; K540-I582 HydrophobicContact CD-CD1 3.67Å; K540-I582 HydrophobicContact CG-CD1 3.48Å; K540-I582 VanDerWaalsContact CG-CD1 3.48Å
541L82.4Confident71.4Confident0 Ų064.3 Ų64.30%034%0.342CS..BIsolated β-bridgetrans-61.5116.3-175.4-17668.5000111.1T538 P539 L545 H548 T551 E580 I582 H586 L589T538-L541 HydrophobicContact CG2-CD1 4.03Å; P539-L541 VanDerWaalsContact C-N 3.32Å; P539-L541 PolarHBondContact O-N 2.75Å; L541-L545 HydrophobicContact CD1-CD1 4.49Å; L541-H548 HydrophobicContact CD1-CB 3.91Å; L541-T551 HydrophobicContact CD2-CG2 3.9Å; L541-E580 PolarHBondContact N-O 2.91Å; L541-I582 PolarHBondContact O-N 2.86Å; L541-H586 HydrophobicContact CD1-CB 4.45Å; L541-H586 HydrophobicContact CD2-CB 4.23Å; L541-H586 HydrophobicContact CG-CB 3.98Å; L541-L589 HydrophobicContact CD2-CD1 4Å; L541-L589 HydrophobicContact CD2-CD2 3.78Å; L541-L589 HydrophobicContact CD2-CG 3.82Å; L541-L589 HydrophobicContact CG-CD1 4.49Å
542S83.2Confident72.1Confident18 Ų1866.8 Ų66.813%0.12635%0.353CS..  trans-139.2163.3178.861.70000109.9K540 Y544 L545 P584 H586K540-S542 PolarHBondContact O-N 3.3Å; K540-S542 VanDerWaalsContact O-N 3.14Å; S542-Y544 PolarHBondContact O-N 2.97Å; S542-L545 PolarHBondContact O-N 3.37Å; S542-P584 CarbonylContact C-O 3.59Å; S542-P584 WeakPolarHBondContact CA-O 3.33Å; S542-H586 PolarHBondContact O-CD2 3.45Å
543R80.5Confident72.5Confident100 Ų10066.2 Ų66.238%0.37735%0.35SS..THydrogen-bonded Turntrans-54.1-26.4178.5179.6178.9-75.4-175.5-3.9113.9L545 P584R543-L545 VanDerWaalsContact C-N 3.34Å; R543-P584 HydrophobicContact CB-CB 4.5Å; R543-P584 HydrophobicContact CB-CG 4.14Å; R543-P584 PolarHBondContact N-O 3.36Å
544Y74.3Confident73.2Confident180 Ų18062.5 Ų62.571%0.70632%0.318SS*.THydrogen-bonded Turntrans-82.5-8.5-177.7-57.1-56.8000114S542 V546 P584S542-Y544 PolarHBondContact O-N 2.97Å; Y544-V546 PolarHBondContact O-N 3.37Å; Y544-P584 HydrophobicContact CD2-CG 3.72Å; Y544-P584 HydrophobicContact CE2-CG 3.2Å
545L71.3Confident73.9Confident58 Ų5854.2 Ų54.230%0.30429%0.288SS..  trans-76.7115.8178.2-97.9158.6000111.1K540 L541 S542 R543 H548K540-L545 WeakPolarHBondContact O-CD1 3.24Å; L541-L545 HydrophobicContact CD1-CD1 4.49Å; S542-L545 PolarHBondContact O-N 3.37Å; R543-L545 VanDerWaalsContact C-N 3.34Å; L545-H548 PolarHBondContact O-CD2 3.47Å
546V61.7Low74.1Confident143 Ų14354.6 Ų54.687%0.86729%0.289SS*.SBendtrans-75.9-27.3177.6-173.10000111.9Y544Y544-V546 PolarHBondContact O-N 3.37Å
547G63.2Low74.2Confident52 Ų5250.7 Ų50.754%0.53626%0.264SS..  trans-101.183.9179.900000112.3
548H68.7Low74.1Confident44 Ų4447.3 Ų47.320%0.20425%0.247CC..  trans-118.427.7177.361.764.5000112.2L541 L545 T551 Q552 H586L541-H548 HydrophobicContact CD1-CB 3.91Å; L545-H548 PolarHBondContact O-CD2 3.47Å; H548-T551 WeakPolarHBondContact O-CB 3.22Å; H548-T551 PolarHBondContact O-N 3.36Å; H548-T551 VanDerWaalsContact O-N 3.15Å; H548-Q552 PolarHBondContact O-N 3.01Å; H548-H586 AromaticContact CD2-CE1 3.76Å; H548-H586 AromaticContact CD2-NE2 3.17Å; H548-H586 PolarHBondContact CD2-NE2 3.13Å; H548-H586 AromaticContact CG-CE1 3.94Å; H548-H586 AromaticContact CG-NE2 3.65Å; H548-H586 AromaticContact NE2-NE2 3.73Å
549L66.8Low74Confident25 Ų2551.4 Ų51.413%0.13126%0.263CS..Hα-helixtrans-56.3-46-176.9178.668.5000113.1E475 L479 T551 Q552 C553E475-L549 HydrophobicContact CB-CD2 3.31Å; E475-L549 HydrophobicContact CG-CD2 3.73Å; E475-L549 WeakPolarHBondContact O-CD2 3.28Å; L479-L549 HydrophobicContact CB-CD1 3.86Å; L479-L549 HydrophobicContact CD1-CD1 3.73Å; L479-L549 HydrophobicContact CD2-CD1 3.8Å; L479-L549 HydrophobicContact CG-CD1 3.97Å; L549-T551 PolarHBondContact O-N 3.06Å; L549-Q552 PolarHBondContact O-N 3.12Å; L549-Q552 VanDerWaalsContact O-N 3.1Å; L549-C553 WeakPolarHBondContact O-CB 3.35Å; L549-C553 PolarHBondContact O-N 3.32Å; L549-C553 PolarHBondContact O-SG 3.43Å
550P71.2Confident73.4Confident24 Ų2448.6 Ų48.616%0.15625%0.246CC..Hα-helixtrans-53.8-41.8176.6-28.537.4000112.9I535 P536 C553 M554I535-P550 HydrophobicContact CG2-CB 3.64Å; P536-P550 HydrophobicContact CG-CG 4.38Å; P536-P550 WeakPolarHBondContact O-CB 3.39Å; P550-C553 PolarHBondContact O-N 3.44Å; P550-M554 PolarHBondContact O-N 3.5Å
551T73.7Confident73Confident0 Ų045.6 Ų45.60%023%0.234CC..Hα-helixtrans-66.4-42.7178-44.90000112.1T538 L541 H548 L549 M554 L555 L592T538-T551 PolarHBondContact OG1-OG1 3.25Å; L541-T551 HydrophobicContact CD2-CG2 3.9Å; H548-T551 WeakPolarHBondContact O-CB 3.22Å; H548-T551 PolarHBondContact O-N 3.36Å; H548-T551 VanDerWaalsContact O-N 3.15Å; L549-T551 PolarHBondContact O-N 3.06Å; T551-M554 PolarHBondContact O-N 3.38Å; T551-L555 WeakPolarHBondContact O-CB 3.23Å; T551-L555 PolarHBondContact O-N 3.27Å; T551-L592 HydrophobicContact CG2-CD2 4.08Å
552Q74.9Confident72.1Confident75 Ų7545.9 Ų45.935%0.3524%0.236SC..Hα-helixtrans-66.4-41.3176.9-174.3172.7-0.500111.8H548 L549 L555 Q556 L588H548-Q552 PolarHBondContact O-N 3.01Å; L549-Q552 PolarHBondContact O-N 3.12Å; L549-Q552 VanDerWaalsContact O-N 3.1Å; Q552-L555 PolarHBondContact O-N 3.1Å; Q552-Q556 VanDerWaalsContact O-CB 3.32Å; Q552-Q556 WeakPolarHBondContact O-CB 3.41Å; Q552-Q556 PolarHBondContact O-N 3.1Å; Q552-L588 HydrophobicContact CB-CD1 4.47Å
553C70Confident71.3Confident1 Ų145.3 Ų45.31%0.00723%0.231CC..Hα-helixtrans-57.9-49.5173.9-69.60000110.9I482 I535 L549 P550 L555 Q556 L557I482-C553 HydrophobicContact CD1-CB 3.5Å; I482-C553 VanDerWaalsContact CD1-CB 3.5Å; I482-C553 WeakPolarHBondContact CD1-SG 3.13Å; I535-C553 HydrophobicContact CD1-CB 4.29Å; L549-C553 WeakPolarHBondContact O-CB 3.35Å; L549-C553 PolarHBondContact O-N 3.32Å; L549-C553 PolarHBondContact O-SG 3.43Å; P550-C553 PolarHBondContact O-N 3.44Å; C553-L555 PolarHBondContact O-N 2.95Å; C553-Q556 PolarHBondContact O-N 2.6Å; C553-L557 WeakPolarHBondContact O-CB 3.5Å; C553-L557 WeakPolarHBondContact O-CD1 3.39Å; C553-L557 VanDerWaalsContact O-CG 3.23Å; C553-L557 WeakPolarHBondContact O-CG 3.49Å; C553-L557 PolarHBondContact O-N 3.04Å
554M76.8Confident70.5Confident5 Ų542.2 Ų42.23%0.02523%0.227CC..Hα-helixtrans-59.4-47.7178.6-168.477.4177.300112P550 T551 Q556 L557 L558 F563 T570 W573 I574 L592P550-M554 PolarHBondContact O-N 3.5Å; T551-M554 PolarHBondContact O-N 3.38Å; M554-Q556 VanDerWaalsContact C-N 3.31Å; M554-Q556 PolarHBondContact O-N 3.44Å; M554-L557 PolarHBondContact O-N 3.31Å; M554-L558 HydrophobicContact CG-CD1 4.32Å; M554-L558 WeakPolarHBondContact O-CG 3.44Å; M554-L558 PolarHBondContact O-N 2.98Å; M554-F563 HydrophobicContact CE-CE1 4.17Å; M554-F563 HydrophobicContact CE-CE2 4.24Å; M554-F563 HydrophobicContact CE-CZ 3.73Å; M554-F563 HydrophobicContact SD-CE1 4.23Å; M554-F563 HydrophobicContact SD-CE2 4.15Å; M554-F563 HydrophobicContact SD-CZ 3.46Å; M554-F563 WeakPolarHBondContact SD-CZ 3.27Å; M554-T570 VanDerWaalsContact CE-CB 3.44Å; M554-T570 HydrophobicContact CE-CG2 3.4Å; M554-T570 VanDerWaalsContact CE-CG2 3.4Å; M554-W573 HydrophobicContact CB-CE3 4.34Å; M554-W573 HydrophobicContact CB-CH2 3.69Å; M554-W573 HydrophobicContact CB-CZ2 4.26Å; M554-W573 HydrophobicContact CB-CZ3 3.74Å; M554-W573 HydrophobicContact CE-CB 4.45Å; M554-W573 HydrophobicContact CE-CD2 4.3Å; M554-W573 HydrophobicContact CE-CE3 3.89Å; M554-W573 HydrophobicContact CG-CD2 4.33Å; M554-W573 HydrophobicContact CG-CE3 3.65Å; M554-W573 HydrophobicContact CG-CH2 3.92Å; M554-W573 HydrophobicContact CG-CZ3 3.43Å; M554-W573 VanDerWaalsContact CG-CZ3 3.43Å; M554-W573 HydrophobicContact SD-CD2 4.09Å; M554-W573 HydrophobicContact SD-CE3 3.9Å; M554-W573 HydrophobicContact SD-CZ3 4.25Å; M554-I574 HydrophobicContact CE-CD1 4.24Å; M554-I574 HydrophobicContact CE-CG1 4.31Å; M554-I574 HydrophobicContact CG-CD1 4.41Å; M554-L592 HydrophobicContact CB-CD1 4.11Å; M554-L592 HydrophobicContact CG-CD1 3.98Å
555L79.7Confident70Confident7 Ų740 Ų404%0.03722%0.221CC..Hα-helixtrans-56.7-46.7177.4173.163.2000111.4T551 Q552 C553 L557 L558 K559 L588 E591 L592 A595T551-L555 WeakPolarHBondContact O-CB 3.23Å; T551-L555 PolarHBondContact O-N 3.27Å; Q552-L555 PolarHBondContact O-N 3.1Å; C553-L555 PolarHBondContact O-N 2.95Å; L555-L557 PolarHBondContact O-N 3.28Å; L555-L558 PolarHBondContact O-N 2.96Å; L555-K559 WeakPolarHBondContact O-CG 3.12Å; L555-K559 PolarHBondContact O-N 3.4Å; L555-L588 HydrophobicContact CD2-CB 4.5Å; L555-L588 HydrophobicContact CD2-CD2 3.97Å; L555-E591 HydrophobicContact CD1-CB 4.4Å; L555-E591 HydrophobicContact CD1-CG 4.03Å; L555-E591 HydrophobicContact CD2-CG 4.3Å; L555-L592 HydrophobicContact CB-CD1 3.93Å; L555-L592 HydrophobicContact CD1-CB 4.39Å; L555-A595 HydrophobicContact CD1-CB 3.76Å
556Q74.8Confident69.6Low23 Ų2339.4 Ų39.411%0.10722%0.218CC..Hα-helixtrans-71.1-33.2-175.4-167.161.320.600112.6I482 T486 Q488 Q552 C553 M554 S560I482-Q556 HydrophobicContact CG2-CB 3.78Å; I482-Q556 HydrophobicContact CG2-CG 3.5Å; T486-Q556 HydrophobicContact CG2-CG 3.52Å; T486-Q556 PolarHBondContact OG1-NE2 3.29Å; Q488-Q556 VanDerWaalsContact NE2-NE2 3.15Å; Q552-Q556 VanDerWaalsContact O-CB 3.32Å; Q552-Q556 WeakPolarHBondContact O-CB 3.41Å; Q552-Q556 PolarHBondContact O-N 3.1Å; C553-Q556 PolarHBondContact O-N 2.6Å; M554-Q556 VanDerWaalsContact C-N 3.31Å; M554-Q556 PolarHBondContact O-N 3.44Å; Q556-S560 PolarHBondContact O-N 3.02Å; Q556-S560 VanDerWaalsContact O-N 3.12Å; Q556-S560 PolarHBondContact O-OG 3.3Å
557L73Confident69.7Low3 Ų341.5 Ų41.52%0.01622%0.215CC..Hα-helixtrans-71-33.4173.8-72164.7000112.6I482 I528 V532 I535 C553 M554 L555 S560 H561 A562 F563I482-L557 HydrophobicContact CD1-CD1 4.16Å; I482-L557 HydrophobicContact CD1-CG 4.29Å; I482-L557 HydrophobicContact CG1-CD2 4.26Å; I482-L557 HydrophobicContact CG1-CG 4.38Å; I528-L557 HydrophobicContact CG2-CD2 3.83Å; V532-L557 HydrophobicContact CB-CD1 4.41Å; V532-L557 HydrophobicContact CG1-CD1 4.23Å; V532-L557 HydrophobicContact CG2-CD1 3.25Å; V532-L557 HydrophobicContact CG2-CD2 4.39Å; V532-L557 HydrophobicContact CG2-CG 4.44Å; I535-L557 HydrophobicContact CD1-CD1 4.2Å; C553-L557 WeakPolarHBondContact O-CB 3.5Å; C553-L557 WeakPolarHBondContact O-CD1 3.39Å; C553-L557 VanDerWaalsContact O-CG 3.23Å; C553-L557 WeakPolarHBondContact O-CG 3.49Å; C553-L557 PolarHBondContact O-N 3.04Å; M554-L557 PolarHBondContact O-N 3.31Å; L555-L557 PolarHBondContact O-N 3.28Å; L557-S560 WeakPolarHBondContact CA-OG 3.46Å; L557-S560 PolarHBondContact O-OG 3.42Å; L557-S560 VanDerWaalsContact O-OG 3.13Å; L557-H561 PolarHBondContact O-N 3.21Å; L557-A562 HydrophobicContact CD2-CB 4.04Å; L557-A562 PolarHBondContact O-N 2.83Å; L557-F563 HydrophobicContact CB-CD2 3.98Å; L557-F563 HydrophobicContact CB-CE2 3.23Å; L557-F563 HydrophobicContact CB-CZ 3.71Å; L557-F563 HydrophobicContact CD1-CE2 4.48Å; L557-F563 HydrophobicContact CD1-CZ 4.13Å; L557-F563 HydrophobicContact CG-CE2 4.47Å
558L75.9Confident69.9Low1 Ų141.4 Ų41.41%0.00520%0.203CC..Hα-helixtrans-65.7-48.1172.5-76168.6000110.8M554 L555 S560 H561 F563 T570 I574 L592 A595 H596 H599M554-L558 HydrophobicContact CG-CD1 4.32Å; M554-L558 WeakPolarHBondContact O-CG 3.44Å; M554-L558 PolarHBondContact O-N 2.98Å; L555-L558 PolarHBondContact O-N 2.96Å; L558-S560 VanDerWaalsContact C-N 3.28Å; L558-S560 PolarHBondContact O-N 2.99Å; L558-H561 PolarHBondContact O-N 3.48Å; L558-H561 VanDerWaalsContact O-N 3.08Å; L558-F563 HydrophobicContact CD2-CD2 3.72Å; L558-F563 HydrophobicContact CD2-CE2 3.96Å; L558-F563 HydrophobicContact CG-CD2 4.02Å; L558-F563 HydrophobicContact CG-CE2 3.8Å; L558-T570 HydrophobicContact CD2-CG2 4.05Å; L558-I574 HydrophobicContact CD1-CD1 4.32Å; L558-L592 HydrophobicContact CD1-CD1 3.9Å; L558-A595 HydrophobicContact CB-CB 4Å; L558-A595 HydrophobicContact CD1-CB 4.48Å; L558-H596 HydrophobicContact CD1-CB 3.97Å; L558-H599 HydrophobicContact CD2-CB 4.06Å
559K75.9Confident70Confident97 Ų9746.8 Ų46.842%0.42223%0.227SC..Hα-helixtrans-61-32.6177.8-74.1-173.8175.1-174.80113.9L555 H561 E591 A595L555-K559 WeakPolarHBondContact O-CG 3.12Å; L555-K559 PolarHBondContact O-N 3.4Å; K559-H561 VanDerWaalsContact C-N 3.26Å; K559-H561 PolarHBondContact O-N 3.48Å; K559-E591 WeakPolarHBondContact CE-OE1 3.4Å; K559-E591 IonicContact NZ-OE1 2.91Å; K559-E591 PolarHBondContact NZ-OE1 3.4Å; K559-A595 HydrophobicContact CG-CB 4.3Å
560S65.6Low70.5Confident26 Ų2646 Ų4618%0.18222%0.224CC..THydrogen-bonded Turntrans-83.61.1178.356.90000114Q556 L557 L558 A562Q556-S560 PolarHBondContact O-N 3.02Å; Q556-S560 VanDerWaalsContact O-N 3.12Å; Q556-S560 PolarHBondContact O-OG 3.3Å; L557-S560 WeakPolarHBondContact CA-OG 3.46Å; L557-S560 PolarHBondContact O-OG 3.42Å; L557-S560 VanDerWaalsContact O-OG 3.13Å; L558-S560 VanDerWaalsContact C-N 3.28Å; L558-S560 PolarHBondContact O-N 2.99Å; S560-A562 PolarHBondContact O-N 3.1Å
561H68.7Low71.1Confident76 Ų7646.3 Ų46.335%0.35222%0.223SC..THydrogen-bonded Turntrans55.319.2-174.6-58.1-83.9000114.7L557 L558 K559 F563 A564 K565 H599L557-H561 PolarHBondContact O-N 3.21Å; L558-H561 PolarHBondContact O-N 3.48Å; L558-H561 VanDerWaalsContact O-N 3.08Å; K559-H561 VanDerWaalsContact C-N 3.26Å; K559-H561 PolarHBondContact O-N 3.48Å; H561-F563 PolarHBondContact O-N 3.23Å; H561-A564 WeakPolarHBondContact O-CB 3.3Å; H561-A564 PolarHBondContact O-N 3.5Å; H561-K565 PolarHBondContact O-N 3.1Å; H561-H599 AromaticContact ND1-CD2 3.77Å
562A64.3Low71.4Confident6 Ų655.1 Ų55.15%0.0526%0.261CS..Hα-helixtrans-58.7-37.6-178.300000112L557 S560 A564 K565 N566L557-A562 HydrophobicContact CD2-CB 4.04Å; L557-A562 PolarHBondContact O-N 2.83Å; S560-A562 PolarHBondContact O-N 3.1Å; A562-A564 VanDerWaalsContact C-N 3.3Å; A562-A564 PolarHBondContact O-N 3.36Å; A562-K565 PolarHBondContact O-N 3.4Å; A562-N566 WeakPolarHBondContact O-CB 3.27Å; A562-N566 PolarHBondContact O-N 3.41Å; A562-N566 VanDerWaalsContact O-N 3.17Å; A562-N566 PolarHBondContact O-ND2 3.01Å
563F66.9Low71.9Confident6 Ų653 Ų533%0.02625%0.25CC..Hα-helixtrans-62.9-32.6176.4-65.5-78.5000113.8V532 M554 L557 L558 H561 K567 L568 T570V532-F563 HydrophobicContact CG1-CD1 4.15Å; V532-F563 HydrophobicContact CG1-CE1 3.14Å; V532-F563 HydrophobicContact CG1-CZ 3.58Å; M554-F563 HydrophobicContact CE-CE1 4.17Å; M554-F563 HydrophobicContact CE-CE2 4.24Å; M554-F563 HydrophobicContact CE-CZ 3.73Å; M554-F563 HydrophobicContact SD-CE1 4.23Å; M554-F563 HydrophobicContact SD-CE2 4.15Å; M554-F563 HydrophobicContact SD-CZ 3.46Å; M554-F563 WeakPolarHBondContact SD-CZ 3.27Å; L557-F563 HydrophobicContact CB-CD2 3.98Å; L557-F563 HydrophobicContact CB-CE2 3.23Å; L557-F563 HydrophobicContact CB-CZ 3.71Å; L557-F563 HydrophobicContact CD1-CE2 4.48Å; L557-F563 HydrophobicContact CD1-CZ 4.13Å; L557-F563 HydrophobicContact CG-CE2 4.47Å; L558-F563 HydrophobicContact CD2-CD2 3.72Å; L558-F563 HydrophobicContact CD2-CE2 3.96Å; L558-F563 HydrophobicContact CG-CD2 4.02Å; L558-F563 HydrophobicContact CG-CE2 3.8Å; H561-F563 PolarHBondContact O-N 3.23Å; F563-K567 PolarHBondContact O-N 2.71Å; F563-L568 HydrophobicContact CD1-CB 3.81Å; F563-L568 HydrophobicContact CD1-CD1 4.08Å; F563-L568 PolarHBondContact O-N 3.14Å; F563-L568 VanDerWaalsContact O-N 3.12Å; F563-T570 HydrophobicContact CB-CG2 4.08Å; F563-T570 HydrophobicContact CD1-CG2 3.28Å; F563-T570 HydrophobicContact CD2-CG2 3.8Å; F563-T570 HydrophobicContact CE1-CG2 3.44Å; F563-T570 VanDerWaalsContact CE1-CG2 3.44Å; F563-T570 HydrophobicContact CE2-CG2 3.95Å; F563-T570 HydrophobicContact CG-CG2 3.48Å; F563-T570 VanDerWaalsContact CG-CG2 3.48Å; F563-T570 HydrophobicContact CZ-CG2 3.83Å
564A63.6Low72.7Confident35 Ų3553 Ų5329%0.28925%0.25SC..Hα-helixtrans-72.2-46.2-178.100000110.3H561 A562 N566 K567 H599 S603H561-A564 WeakPolarHBondContact O-CB 3.3Å; H561-A564 PolarHBondContact O-N 3.5Å; A562-A564 VanDerWaalsContact C-N 3.3Å; A562-A564 PolarHBondContact O-N 3.36Å; A564-N566 PolarHBondContact O-N 3.31Å; A564-K567 PolarHBondContact O-N 3Å; A564-H599 WeakPolarHBondContact CB-NE2 3.38Å; A564-H599 PolarHBondContact N-NE2 3.41Å; A564-H599 VanDerWaalsContact N-NE2 3.13Å; A564-S603 VanDerWaalsContact CB-OG 3.24Å; A564-S603 WeakPolarHBondContact CB-OG 3.44Å
565K63.1Low73.1Confident134 Ų13453.5 Ų53.558%0.58325%0.252SS*.Hα-helixtrans-58.6-39.3176.4-67.1-177.8174.9-176.30111.7H561 A562H561-K565 PolarHBondContact O-N 3.1Å; A562-K565 PolarHBondContact O-N 3.4Å
566N62.4Low73.4Confident44 Ų4453.8 Ų53.824%0.23526%0.257CS..THydrogen-bonded Turntrans-95.24.1-174.7-66-24.5000114.9E525 A529 A562 A564 L568E525-N566 PolarHBondContact O-ND2 3.07Å; A529-N566 HydrophobicContact CB-CB 4.06Å; A562-N566 WeakPolarHBondContact O-CB 3.27Å; A562-N566 PolarHBondContact O-N 3.41Å; A562-N566 VanDerWaalsContact O-N 3.17Å; A562-N566 PolarHBondContact O-ND2 3.01Å; A564-N566 PolarHBondContact O-N 3.31Å; N566-L568 VanDerWaalsContact C-N 3.29Å; N566-L568 HydrophobicContact CB-CD1 4.08Å; N566-L568 HydrophobicContact CB-CG 3.99Å; N566-L568 PolarHBondContact O-N 3.19Å
567K65.4Low74.1Confident187 Ų18752.7 Ų52.781%0.81325%0.252SS*.THydrogen-bonded Turntrans53.438.8-179.8-57.2-179.9179.7177.40114.4F563 A564F563-K567 PolarHBondContact O-N 2.71Å; A564-K567 PolarHBondContact O-N 3Å
568L67Low74.8Confident51 Ų5152.6 Ų52.627%0.26725%0.251SS..  trans-94.6138.6-177.4-66.9175.2000112.3A529 V532 F563 N566A529-L568 HydrophobicContact CB-CD1 3.7Å; A529-L568 HydrophobicContact CB-CD2 4.44Å; A529-L568 HydrophobicContact CB-CG 4.4Å; V532-L568 HydrophobicContact CG1-CD1 4.36Å; F563-L568 HydrophobicContact CD1-CB 3.81Å; F563-L568 HydrophobicContact CD1-CD1 4.08Å; F563-L568 PolarHBondContact O-N 3.14Å; F563-L568 VanDerWaalsContact O-N 3.12Å; N566-L568 VanDerWaalsContact C-N 3.29Å; N566-L568 HydrophobicContact CB-CD1 4.08Å; N566-L568 HydrophobicContact CB-CG 3.99Å; N566-L568 PolarHBondContact O-N 3.19Å
569H70.7Confident75.4Confident156 Ų15658.8 Ų58.872%0.72228%0.275SS*.  trans-88.2109.1-179.7-63.7-67.5000112.6
570T76.8Confident75.9Confident9 Ų958.1 Ų58.16%0.05527%0.273CS..  trans-86.2-20.9179.650.60000114.2M554 L558 F563 K572 W573 I574 H596M554-T570 VanDerWaalsContact CE-CB 3.44Å; M554-T570 HydrophobicContact CE-CG2 3.4Å; M554-T570 VanDerWaalsContact CE-CG2 3.4Å; L558-T570 HydrophobicContact CD2-CG2 4.05Å; F563-T570 HydrophobicContact CB-CG2 4.08Å; F563-T570 HydrophobicContact CD1-CG2 3.28Å; F563-T570 HydrophobicContact CD2-CG2 3.8Å; F563-T570 HydrophobicContact CE1-CG2 3.44Å; F563-T570 VanDerWaalsContact CE1-CG2 3.44Å; F563-T570 HydrophobicContact CE2-CG2 3.95Å; F563-T570 HydrophobicContact CG-CG2 3.48Å; F563-T570 VanDerWaalsContact CG-CG2 3.48Å; F563-T570 HydrophobicContact CZ-CG2 3.83Å; T570-K572 PolarHBondContact O-N 3.03Å; T570-W573 PolarHBondContact O-N 2.74Å; T570-I574 WeakPolarHBondContact O-CG1 3.47Å; T570-I574 PolarHBondContact O-N 3.46Å; T570-I574 VanDerWaalsContact O-N 3.13Å; T570-H596 PolarHBondContact OG1-CD2 3.42Å; T570-H596 VanDerWaalsContact OG1-CD2 3.28Å; T570-H596 PolarHBondContact OG1-NE2 3.47Å; T570-H596 VanDerWaalsContact OG1-NE2 3.09Å
571K82.9Confident76.9Confident30 Ų3057 Ų5713%0.1327%0.265CS..Hα-helixtrans-51.2-51.8-170.7177.2176.2169.3166.30114.5W573 I574 I575 L632 E637K571-W573 VanDerWaalsContact C-N 3.3Å; K571-W573 PolarHBondContact O-N 3.48Å; K571-I574 PolarHBondContact O-N 3.03Å; K571-I575 HydrophobicContact CG-CD1 3.97Å; K571-I575 WeakPolarHBondContact O-CG1 3.45Å; K571-I575 PolarHBondContact O-N 3.4Å; K571-I575 VanDerWaalsContact O-N 3.11Å; K571-L632 WeakPolarHBondContact CD-O 3.21Å; K571-L632 WeakPolarHBondContact CE-O 3.3Å; K571-L632 PolarHBondContact NZ-O 3.23Å; K571-E637 VanDerWaalsContact CE-CD 3.4Å; K571-E637 WeakPolarHBondContact CE-OE1 3.4Å; K571-E637 WeakPolarHBondContact CE-OE2 3.39Å; K571-E637 IonicContact NZ-OE1 2.72Å; K571-E637 PolarHBondContact NZ-OE1 3.27Å; K571-E637 IonicContact NZ-OE2 3.01Å; K571-E637 PolarHBondContact NZ-OE2 3.01Å; K571-E637 VanDerWaalsContact NZ-OE2 3.14Å
572K81Confident77.7Confident186 Ų18656 Ų5681%0.80926%0.262SS*.Hα-helixtrans-61.9-39-177.2-72.5-175.5178.6178.50112.3T570 G576T570-K572 PolarHBondContact O-N 3.03Å; K572-G576 PolarHBondContact O-N 3.44Å; K572-G576 VanDerWaalsContact O-N 3.11Å
573W84.8Confident78.5Confident31 Ų3159.3 Ų59.312%0.11727%0.273CS..Hα-helixtrans-68.6-43.9179.8-172.197.2000111.1I535 M554 T570 K571 I575 G576 Q577 L592I535-W573 HydrophobicContact CG2-CZ2 4.14Å; I535-W573 PolarHBondContact O-NE1 3.47Å; M554-W573 HydrophobicContact CB-CE3 4.34Å; M554-W573 HydrophobicContact CB-CH2 3.69Å; M554-W573 HydrophobicContact CB-CZ2 4.26Å; M554-W573 HydrophobicContact CB-CZ3 3.74Å; M554-W573 HydrophobicContact CE-CB 4.45Å; M554-W573 HydrophobicContact CE-CD2 4.3Å; M554-W573 HydrophobicContact CE-CE3 3.89Å; M554-W573 HydrophobicContact CG-CD2 4.33Å; M554-W573 HydrophobicContact CG-CE3 3.65Å; M554-W573 HydrophobicContact CG-CH2 3.92Å; M554-W573 HydrophobicContact CG-CZ3 3.43Å; M554-W573 VanDerWaalsContact CG-CZ3 3.43Å; M554-W573 HydrophobicContact SD-CD2 4.09Å; M554-W573 HydrophobicContact SD-CE3 3.9Å; M554-W573 HydrophobicContact SD-CZ3 4.25Å; T570-W573 PolarHBondContact O-N 2.74Å; K571-W573 VanDerWaalsContact C-N 3.3Å; K571-W573 PolarHBondContact O-N 3.48Å; W573-I575 PolarHBondContact O-N 3.15Å; W573-G576 PolarHBondContact O-N 3.46Å; W573-Q577 HydrophobicContact CE3-CB 4.05Å; W573-Q577 HydrophobicContact CH2-CB 3.95Å; W573-Q577 HydrophobicContact CH2-CG 3.7Å; W573-Q577 HydrophobicContact CZ2-CB 4.46Å; W573-Q577 HydrophobicContact CZ2-CG 4.4Å; W573-Q577 HydrophobicContact CZ3-CB 3.72Å; W573-Q577 HydrophobicContact CZ3-CG 3.84Å; W573-Q577 WeakPolarHBondContact O-CB 3.43Å; W573-Q577 PolarHBondContact O-N 3.01Å; W573-L592 HydrophobicContact CZ3-CD2 4.05Å
574I87.2Confident79.3Confident0 Ų059.5 Ų59.50%028%0.275CS..Hα-helixtrans-61.5-45178.8-64-71.8000111.1M554 L558 T570 K571 G576 Q577 V578 L592 L593 H596M554-I574 HydrophobicContact CE-CD1 4.24Å; M554-I574 HydrophobicContact CE-CG1 4.31Å; M554-I574 HydrophobicContact CG-CD1 4.41Å; L558-I574 HydrophobicContact CD1-CD1 4.32Å; T570-I574 WeakPolarHBondContact O-CG1 3.47Å; T570-I574 PolarHBondContact O-N 3.46Å; T570-I574 VanDerWaalsContact O-N 3.13Å; K571-I574 PolarHBondContact O-N 3.03Å; I574-G576 VanDerWaalsContact C-N 3.32Å; I574-G576 PolarHBondContact O-N 3.16Å; I574-Q577 PolarHBondContact O-N 3.13Å; I574-V578 HydrophobicContact CG2-CG2 4.42Å; I574-V578 VanDerWaalsContact O-CG2 3.3Å; I574-V578 WeakPolarHBondContact O-CG2 3.25Å; I574-V578 PolarHBondContact O-N 2.99Å; I574-L592 HydrophobicContact CD1-CD1 4.1Å; I574-L592 HydrophobicContact CD1-CD2 4.08Å; I574-L592 HydrophobicContact CD1-CG 3.94Å; I574-L593 HydrophobicContact CG2-CD2 3.86Å; I574-H596 HydrophobicContact CD1-CB 4.48Å
575I86.4Confident80.4Confident15 Ų1557.9 Ų57.98%0.07726%0.261CS..Hα-helixtrans-59.1-45.7175.4-66166.6000110.6K571 W573 V578 R579 I633 E637 F687K571-I575 HydrophobicContact CG-CD1 3.97Å; K571-I575 WeakPolarHBondContact O-CG1 3.45Å; K571-I575 PolarHBondContact O-N 3.4Å; K571-I575 VanDerWaalsContact O-N 3.11Å; W573-I575 PolarHBondContact O-N 3.15Å; I575-V578 PolarHBondContact O-N 3.31Å; I575-R579 WeakPolarHBondContact O-CG 3.24Å; I575-R579 PolarHBondContact O-N 3.2Å; I575-I633 HydrophobicContact CD1-CG1 4.31Å; I575-I633 HydrophobicContact CD1-CG2 4.22Å; I575-I633 HydrophobicContact CG1-CD1 3.97Å; I575-I633 HydrophobicContact CG1-CG1 4.04Å; I575-I633 HydrophobicContact CG1-CG2 4.36Å; I575-E637 VanDerWaalsContact CD1-OE2 3.26Å; I575-E637 WeakPolarHBondContact CD1-OE2 3.39Å; I575-F687 HydrophobicContact CG2-CZ 4.26Å
576G85.6Confident81.5Confident13 Ų1351.8 Ų51.813%0.13424%0.235CC..Hα-helixtrans-61.2-43176.700000113.1K572 W573 I574 R579 E580K572-G576 PolarHBondContact O-N 3.44Å; K572-G576 VanDerWaalsContact O-N 3.11Å; W573-G576 PolarHBondContact O-N 3.46Å; I574-G576 VanDerWaalsContact C-N 3.32Å; I574-G576 PolarHBondContact O-N 3.16Å; G576-R579 PolarHBondContact O-N 3.41Å; G576-E580 PolarHBondContact O-N 3.31Å; G576-E580 VanDerWaalsContact O-N 3.16Å
577Q88.7Confident82.6Confident0 Ų052.8 Ų52.80%024%0.244CC..Hα-helixtrans-69.2-35180-172.45964.500113.2I537 T538 W573 I574 S581 L592I537-Q577 HydrophobicContact CG2-CB 4.4Å; T538-Q577 PolarHBondContact O-NE2 2.91Å; W573-Q577 HydrophobicContact CE3-CB 4.05Å; W573-Q577 HydrophobicContact CH2-CB 3.95Å; W573-Q577 HydrophobicContact CH2-CG 3.7Å; W573-Q577 HydrophobicContact CZ2-CB 4.46Å; W573-Q577 HydrophobicContact CZ2-CG 4.4Å; W573-Q577 HydrophobicContact CZ3-CB 3.72Å; W573-Q577 HydrophobicContact CZ3-CG 3.84Å; W573-Q577 WeakPolarHBondContact O-CB 3.43Å; W573-Q577 PolarHBondContact O-N 3.01Å; I574-Q577 PolarHBondContact O-N 3.13Å; Q577-S581 PolarHBondContact O-N 3.47Å; Q577-L592 HydrophobicContact CG-CD2 4.47Å
578V89Confident83.6Confident2 Ų245.4 Ų45.41%0.01221%0.213CC..Hα-helixtrans-68.2-42174.11720000110.6I574 I575 E580 S581 L593 P683 L686 F687I574-V578 HydrophobicContact CG2-CG2 4.42Å; I574-V578 VanDerWaalsContact O-CG2 3.3Å; I574-V578 WeakPolarHBondContact O-CG2 3.25Å; I574-V578 PolarHBondContact O-N 2.99Å; I575-V578 PolarHBondContact O-N 3.31Å; V578-E580 VanDerWaalsContact C-N 3.27Å; V578-E580 PolarHBondContact O-N 3.04Å; V578-S581 WeakPolarHBondContact O-CB 3.45Å; V578-S581 PolarHBondContact O-N 3.35Å; V578-S581 PolarHBondContact O-OG 3.31Å; V578-L593 HydrophobicContact CG2-CD2 3.87Å; V578-P683 HydrophobicContact CG1-CB 4.45Å; V578-L686 HydrophobicContact CG1-CB 3.66Å; V578-L686 HydrophobicContact CG1-CD1 4.1Å; V578-F687 HydrophobicContact CB-CE2 4.33Å; V578-F687 HydrophobicContact CB-CZ 4.09Å; V578-F687 HydrophobicContact CG1-CD1 4.43Å; V578-F687 HydrophobicContact CG1-CD2 3.84Å; V578-F687 HydrophobicContact CG1-CE1 4.19Å; V578-F687 HydrophobicContact CG1-CE2 3.54Å; V578-F687 HydrophobicContact CG1-CG 4.26Å; V578-F687 HydrophobicContact CG1-CZ 3.73Å
579R87.6Confident84.6Confident131 Ų13143 Ų4349%0.49420%0.201SC..Hα-helixtrans-62.4-32176.9-74.61751771691.8113.5I575 G576 S581 E641 F687I575-R579 WeakPolarHBondContact O-CG 3.24Å; I575-R579 PolarHBondContact O-N 3.2Å; G576-R579 PolarHBondContact O-N 3.41Å; R579-S581 VanDerWaalsContact C-N 3.33Å; R579-E641 IonicContact CZ-OE1 2.78Å; R579-E641 IonicContact NE-OE1 3.08Å; R579-E641 PolarHBondContact NE-OE1 3.17Å; R579-E641 IonicContact NE-OE2 3.82Å; R579-E641 IonicContact NH2-OE1 3.87Å; R579-E641 PolarHBondContact NH2-OE1 2.83Å; R579-F687 HydrophobicContact CG-CE2 4.34Å; R579-F687 HydrophobicContact CG-CZ 4.45Å
580E85.5Confident85.6Confident82 Ų8235.7 Ų35.738%0.38317%0.167SC..THydrogen-bonded Turntrans-87.97178.3-72.4-64.2143.800114I537 K540 L541 G576 V578I537-E580 HydrophobicContact CG2-CB 4.09Å; I537-E580 HydrophobicContact CG2-CG 3.88Å; K540-E580 CarbonylContact C-O 3.58Å; K540-E580 WeakPolarHBondContact CA-O 3.47Å; K540-E580 PolarHBondContact N-O 3.15Å; K540-E580 PolarHBondContact N-OE2 3.33Å; L541-E580 PolarHBondContact N-O 2.91Å; G576-E580 PolarHBondContact O-N 3.31Å; G576-E580 VanDerWaalsContact O-N 3.16Å; V578-E580 VanDerWaalsContact C-N 3.27Å; V578-E580 PolarHBondContact O-N 3.04Å
581S87.1Confident86.1Confident2 Ų238.4 Ų38.41%0.01418%0.179CC..BIsolated β-bridgetrans-82.9142.1178.667.50000112.4Q577 V578 R579 T682 L686Q577-S581 PolarHBondContact O-N 3.47Å; V578-S581 WeakPolarHBondContact O-CB 3.45Å; V578-S581 PolarHBondContact O-N 3.35Å; V578-S581 PolarHBondContact O-OG 3.31Å; R579-S581 VanDerWaalsContact C-N 3.33Å; S581-T682 WeakPolarHBondContact OG-CG2 3.46Å; S581-L686 WeakPolarHBondContact OG-CD1 3.33Å
582I86.6Confident86.4Confident56 Ų5637 Ų3729%0.28717%0.173SC..  trans-135.8152.7-175.1-60.6-172.1000110.6K540 L541 P584 D680K540-I582 HydrophobicContact CB-CD1 3.59Å; K540-I582 HydrophobicContact CB-CG1 4.33Å; K540-I582 HydrophobicContact CD-CD1 3.67Å; K540-I582 HydrophobicContact CG-CD1 3.48Å; K540-I582 VanDerWaalsContact CG-CD1 3.48Å; L541-I582 PolarHBondContact O-N 2.86Å; I582-P584 CarbonylContact O-C 3.52Å; I582-D680 VanDerWaalsContact CA-OD2 3.24Å; I582-D680 WeakPolarHBondContact CA-OD2 3.46Å; I582-D680 VanDerWaalsContact CG2-OD2 3.28Å; I582-D680 WeakPolarHBondContact CG2-OD2 3.47Å
583R80.6Confident86.9Confident75 Ų7528.2 Ų28.228%0.28314%0.135SC..SBendtrans-65.5139.1171.869.3-176.7-180-175.7-0.6112.4T677 D680 T682 Y734 D741R583-T677 PolarHBondContact NH2-O 3.29Å; R583-D680 PolarHBondContact N-OD2 3.39Å; R583-T682 PolarHBondContact N-OG1 2.66Å; R583-Y734 PolarHBondContact NH1-OH 3.24Å; R583-D741 HydrophobicContact CB-CB 4.42Å
584P82.7Confident87.2Confident11 Ų1128.8 Ų28.87%0.07114%0.139CC..SBendcis-77143.4-4.829.8-34000112.8S542 R543 Y544 I582 D741S542-P584 CarbonylContact C-O 3.59Å; S542-P584 WeakPolarHBondContact CA-O 3.33Å; R543-P584 HydrophobicContact CB-CB 4.5Å; R543-P584 HydrophobicContact CB-CG 4.14Å; R543-P584 PolarHBondContact N-O 3.36Å; Y544-P584 HydrophobicContact CD2-CG 3.72Å; Y544-P584 HydrophobicContact CE2-CG 3.2Å; I582-P584 CarbonylContact O-C 3.52Å; P584-D741 HydrophobicContact CB-CB 3.95Å
585I86.9Confident87Confident0 Ų029.1 Ų29.10%014%0.142CC..PPolyproline II helixtrans-62.1137.3-170.6-163.4170.9000112.2L589 T682 L686 D741 Y742 S744 L745I585-L589 HydrophobicContact CG1-CD1 4.05Å; I585-T682 HydrophobicContact CG1-CG2 4.41Å; I585-L686 HydrophobicContact CD1-CD2 3.7Å; I585-L686 HydrophobicContact CD1-CG 4.21Å; I585-D741 WeakPolarHBondContact CG2-O 3.46Å; I585-D741 PolarHBondContact N-O 3.34Å; I585-Y742 HydrophobicContact CB-CD1 4.32Å; I585-Y742 HydrophobicContact CG2-CD1 4.47Å; I585-S744 WeakPolarHBondContact CG2-OG 3.25Å; I585-L745 HydrophobicContact CD1-CB 4.01Å; I585-L745 HydrophobicContact CD1-CD1 4.41Å; I585-L745 HydrophobicContact CD1-CD2 3.85Å; I585-L745 HydrophobicContact CD1-CG 4.32Å
586H87.1Confident87Confident7 Ų728.4 Ų28.43%0.03214%0.138CC..PPolyproline II helixtrans-72.5132174.4-165-83.1000111L541 S542 H548 L588 L589L541-H586 HydrophobicContact CD1-CB 4.45Å; L541-H586 HydrophobicContact CD2-CB 4.23Å; L541-H586 HydrophobicContact CG-CB 3.98Å; S542-H586 PolarHBondContact O-CD2 3.45Å; H548-H586 AromaticContact CD2-CE1 3.76Å; H548-H586 AromaticContact CD2-NE2 3.17Å; H548-H586 PolarHBondContact CD2-NE2 3.13Å; H548-H586 AromaticContact CG-CE1 3.94Å; H548-H586 AromaticContact CG-NE2 3.65Å; H548-H586 AromaticContact NE2-NE2 3.73Å; H586-L588 VanDerWaalsContact C-N 3.25Å; H586-L588 VanDerWaalsContact CE1-CG 3.47Å; H586-L588 WeakPolarHBondContact CE1-CG 3.39Å; H586-L588 WeakPolarHBondContact ND1-CB 3.39Å; H586-L588 PolarHBondContact ND1-N 2.94Å; H586-L588 PolarHBondContact O-N 3.12Å; H586-L589 HydrophobicContact CB-CD1 3.94Å; H586-L589 HydrophobicContact CB-CG 4.16Å; H586-L589 WeakPolarHBondContact O-CB 3.32Å; H586-L589 PolarHBondContact O-N 3.38Å; H586-L589 VanDerWaalsContact O-N 3.09Å
587P85.6Confident87Confident64 Ų6427.8 Ų27.842%0.41613%0.131SC..THydrogen-bonded Turntrans-64.1-25-174.824.7-34.7000114.5L589 P590P587-L589 VanDerWaalsContact C-N 3.32Å; P587-L589 PolarHBondContact O-N 2.84Å; P587-P590 WeakPolarHBondContact O-CD 3.34Å
588L85.5Confident86.7Confident33 Ų3330 Ų3017%0.17315%0.145CC..Hα-helixtrans-74.7-15.8176.2-60178.5000113.9Q552 L555 H586 E591 L592Q552-L588 HydrophobicContact CB-CD1 4.47Å; L555-L588 HydrophobicContact CD2-CB 4.5Å; L555-L588 HydrophobicContact CD2-CD2 3.97Å; H586-L588 VanDerWaalsContact C-N 3.25Å; H586-L588 VanDerWaalsContact CE1-CG 3.47Å; H586-L588 WeakPolarHBondContact CE1-CG 3.39Å; H586-L588 WeakPolarHBondContact ND1-CB 3.39Å; H586-L588 PolarHBondContact ND1-N 2.94Å; H586-L588 PolarHBondContact O-N 3.12Å; L588-E591 PolarHBondContact O-N 3.43Å; L588-L592 VanDerWaalsContact O-CB 3.24Å; L588-L592 WeakPolarHBondContact O-CB 3.37Å; L588-L592 PolarHBondContact O-N 2.88Å
589L89.4Confident86.2Confident0 Ų030.3 Ų30.30%015%0.146CC..Hα-helixtrans-66.4-48.2-175-82168000113.3L541 I585 H586 P587 E591 L592 L593 L686L541-L589 HydrophobicContact CD2-CD1 4Å; L541-L589 HydrophobicContact CD2-CD2 3.78Å; L541-L589 HydrophobicContact CD2-CG 3.82Å; L541-L589 HydrophobicContact CG-CD1 4.49Å; I585-L589 HydrophobicContact CG1-CD1 4.05Å; H586-L589 HydrophobicContact CB-CD1 3.94Å; H586-L589 HydrophobicContact CB-CG 4.16Å; H586-L589 WeakPolarHBondContact O-CB 3.32Å; H586-L589 PolarHBondContact O-N 3.38Å; H586-L589 VanDerWaalsContact O-N 3.09Å; P587-L589 VanDerWaalsContact C-N 3.32Å; P587-L589 PolarHBondContact O-N 2.84Å; L589-E591 VanDerWaalsContact C-N 3.31Å; L589-E591 PolarHBondContact O-N 3.5Å; L589-L592 HydrophobicContact CD2-CD2 4.32Å; L589-L592 WeakPolarHBondContact O-CB 3.2Å; L589-L592 PolarHBondContact O-N 3.45Å; L589-L593 WeakPolarHBondContact O-CG 3.47Å; L589-L593 PolarHBondContact O-N 2.96Å; L589-L593 VanDerWaalsContact O-N 3.11Å; L589-L686 HydrophobicContact CB-CD2 4.27Å; L589-L686 HydrophobicContact CD1-CD1 4.05Å
590P90Very high85.7Confident2 Ų224.4 Ų24.41%0.01313%0.125CC..Hα-helixtrans-56.6-46.1172.5-24.833.8000111.9P587 L592 L593 E594 Y689 L745P587-P590 WeakPolarHBondContact O-CD 3.34Å; P590-L592 VanDerWaalsContact C-N 3.31Å; P590-L592 PolarHBondContact O-N 2.94Å; P590-L593 PolarHBondContact O-N 2.99Å; P590-L593 VanDerWaalsContact O-N 3.12Å; P590-E594 VanDerWaalsContact O-CG 3.27Å; P590-E594 WeakPolarHBondContact O-CG 3.24Å; P590-E594 PolarHBondContact O-N 3.27Å; P590-Y689 HydrophobicContact CB-CE1 4.04Å; P590-L745 HydrophobicContact CG-CD1 4.1Å
591E88.9Confident85.2Confident67 Ų6721.9 Ų21.931%0.31311%0.113SC..Hα-helixtrans-63.2-36.1-179.2-163.7179.8-177.400112.6L555 K559 L588 L589 A595L555-E591 HydrophobicContact CD1-CB 4.4Å; L555-E591 HydrophobicContact CD1-CG 4.03Å; L555-E591 HydrophobicContact CD2-CG 4.3Å; K559-E591 WeakPolarHBondContact CE-OE1 3.4Å; K559-E591 IonicContact NZ-OE1 2.91Å; K559-E591 PolarHBondContact NZ-OE1 3.4Å; L588-E591 PolarHBondContact O-N 3.43Å; L589-E591 VanDerWaalsContact C-N 3.31Å; L589-E591 PolarHBondContact O-N 3.5Å; E591-A595 VanDerWaalsContact O-CB 3.25Å; E591-A595 WeakPolarHBondContact O-CB 3.47Å; E591-A595 PolarHBondContact O-N 3.45Å
592L88.8Confident84.4Confident1 Ų123.9 Ų23.91%0.00513%0.127CC..Hα-helixtrans-63.9-43.2173.7177.874.8000111.8T551 M554 L555 L558 W573 I574 Q577 L588 L589 P590 H596T551-L592 HydrophobicContact CG2-CD2 4.08Å; M554-L592 HydrophobicContact CB-CD1 4.11Å; M554-L592 HydrophobicContact CG-CD1 3.98Å; L555-L592 HydrophobicContact CB-CD1 3.93Å; L555-L592 HydrophobicContact CD1-CB 4.39Å; L558-L592 HydrophobicContact CD1-CD1 3.9Å; W573-L592 HydrophobicContact CZ3-CD2 4.05Å; I574-L592 HydrophobicContact CD1-CD1 4.1Å; I574-L592 HydrophobicContact CD1-CD2 4.08Å; I574-L592 HydrophobicContact CD1-CG 3.94Å; Q577-L592 HydrophobicContact CG-CD2 4.47Å; L588-L592 VanDerWaalsContact O-CB 3.24Å; L588-L592 WeakPolarHBondContact O-CB 3.37Å; L588-L592 PolarHBondContact O-N 2.88Å; L589-L592 HydrophobicContact CD2-CD2 4.32Å; L589-L592 WeakPolarHBondContact O-CB 3.2Å; L589-L592 PolarHBondContact O-N 3.45Å; P590-L592 VanDerWaalsContact C-N 3.31Å; P590-L592 PolarHBondContact O-N 2.94Å; L592-H596 WeakPolarHBondContact O-CB 3.4Å; L592-H596 PolarHBondContact O-N 3.21Å
593L90.2Very high83Confident1 Ų123.6 Ų23.61%0.00513%0.129CC..Hα-helixtrans-66.6-45.2177-66175.9000111.1I574 V578 L589 P590 A595 H596 I597 L686 Y689 Y690I574-L593 HydrophobicContact CG2-CD2 3.86Å; V578-L593 HydrophobicContact CG2-CD2 3.87Å; L589-L593 WeakPolarHBondContact O-CG 3.47Å; L589-L593 PolarHBondContact O-N 2.96Å; L589-L593 VanDerWaalsContact O-N 3.11Å; P590-L593 PolarHBondContact O-N 2.99Å; P590-L593 VanDerWaalsContact O-N 3.12Å; L593-A595 PolarHBondContact O-N 2.97Å; L593-H596 WeakPolarHBondContact O-CB 3.45Å; L593-H596 PolarHBondContact O-N 3.07Å; L593-I597 WeakPolarHBondContact O-CD1 3.48Å; L593-I597 WeakPolarHBondContact O-CG1 3.08Å; L593-I597 PolarHBondContact O-N 2.66Å; L593-L686 HydrophobicContact CD1-CB 4.27Å; L593-L686 HydrophobicContact CD1-CD2 3.85Å; L593-Y689 HydrophobicContact CD1-CD1 4.07Å; L593-Y690 HydrophobicContact CB-CD2 4.46Å; L593-Y690 HydrophobicContact CD2-CD2 4Å
594E91.5Very high81.6Confident43 Ų4322.7 Ų22.720%0.20113%0.13CC..Hα-helixtrans-59-46176-65.9171.6-15200111.4P590 H596 I597 T598 Y689 F693 K748P590-E594 VanDerWaalsContact O-CG 3.27Å; P590-E594 WeakPolarHBondContact O-CG 3.24Å; P590-E594 PolarHBondContact O-N 3.27Å; E594-H596 VanDerWaalsContact C-N 3.34Å; E594-H596 PolarHBondContact O-N 3Å; E594-I597 PolarHBondContact O-N 3.48Å; E594-T598 WeakPolarHBondContact O-CG2 3.44Å; E594-T598 PolarHBondContact O-N 3.1Å; E594-T598 PolarHBondContact O-OG1 3.2Å; E594-Y689 HydrophobicContact CG-CE1 4.4Å; E594-Y689 PolarHBondContact OE1-OH 2.64Å; E594-F693 HydrophobicContact CB-CE1 4Å; E594-F693 HydrophobicContact CB-CZ 3.91Å; E594-F693 HydrophobicContact CG-CD1 4.34Å; E594-F693 HydrophobicContact CG-CD2 4.09Å; E594-F693 HydrophobicContact CG-CE1 3.95Å; E594-F693 HydrophobicContact CG-CE2 3.7Å; E594-F693 HydrophobicContact CG-CG 4.38Å; E594-F693 HydrophobicContact CG-CZ 3.61Å; E594-K748 IonicContact OE1-NZ 3.39Å; E594-K748 PolarHBondContact OE1-NZ 2.96Å; E594-K748 IonicContact OE2-NZ 3.27Å
595A84.4Confident79.9Confident7 Ų726 Ų266%0.05815%0.154CC..Hα-helixtrans-63.6-37.1176.600000112.4L555 L558 K559 E591 L593 T598 H599L555-A595 HydrophobicContact CD1-CB 3.76Å; L558-A595 HydrophobicContact CB-CB 4Å; L558-A595 HydrophobicContact CD1-CB 4.48Å; K559-A595 HydrophobicContact CG-CB 4.3Å; E591-A595 VanDerWaalsContact O-CB 3.25Å; E591-A595 WeakPolarHBondContact O-CB 3.47Å; E591-A595 PolarHBondContact O-N 3.45Å; L593-A595 PolarHBondContact O-N 2.97Å; A595-T598 WeakPolarHBondContact CA-OG1 3.1Å; A595-T598 PolarHBondContact O-OG1 3.19Å; A595-H599 WeakPolarHBondContact O-CB 3.48Å; A595-H599 PolarHBondContact O-N 3.13Å; A595-H599 VanDerWaalsContact O-N 3.07Å
596H85.6Confident77.6Confident0 Ų032.3 Ų32.30%019%0.188CC..Hα-helixtrans-65.3-41.8175.3178.8-91.9000112.1L558 T570 I574 L592 L593 E594 S600 Y690L558-H596 HydrophobicContact CD1-CB 3.97Å; T570-H596 PolarHBondContact OG1-CD2 3.42Å; T570-H596 VanDerWaalsContact OG1-CD2 3.28Å; T570-H596 PolarHBondContact OG1-NE2 3.47Å; T570-H596 VanDerWaalsContact OG1-NE2 3.09Å; I574-H596 HydrophobicContact CD1-CB 4.48Å; L592-H596 WeakPolarHBondContact O-CB 3.4Å; L592-H596 PolarHBondContact O-N 3.21Å; L593-H596 WeakPolarHBondContact O-CB 3.45Å; L593-H596 PolarHBondContact O-N 3.07Å; E594-H596 VanDerWaalsContact C-N 3.34Å; E594-H596 PolarHBondContact O-N 3Å; H596-S600 WeakPolarHBondContact O-CB 3.27Å; H596-S600 PolarHBondContact O-N 3.28Å; H596-S600 PolarHBondContact O-OG 3.32Å; H596-Y690 AromaticContact ND1-CE2 3.91Å
597I85Confident75.2Confident0 Ų037.8 Ų37.80%022%0.217CC..Hα-helixtrans-68.5-51-177.9-66.4164.2000110L593 E594 H599 S600 F601 Y690 F693 V694 Y697L593-I597 WeakPolarHBondContact O-CD1 3.48Å; L593-I597 WeakPolarHBondContact O-CG1 3.08Å; L593-I597 PolarHBondContact O-N 2.66Å; E594-I597 PolarHBondContact O-N 3.48Å; I597-H599 VanDerWaalsContact C-N 3.28Å; I597-H599 PolarHBondContact O-N 2.75Å; I597-S600 WeakPolarHBondContact O-CB 3.43Å; I597-S600 PolarHBondContact O-N 3.13Å; I597-S600 VanDerWaalsContact O-N 3.13Å; I597-F601 HydrophobicContact CG2-CD2 3.88Å; I597-F601 HydrophobicContact CG2-CE2 3.71Å; I597-F601 VanDerWaalsContact O-CD2 3.24Å; I597-F601 WeakPolarHBondContact O-CD2 3.25Å; I597-F601 PolarHBondContact O-N 3.33Å; I597-F601 VanDerWaalsContact O-N 3.13Å; I597-Y690 HydrophobicContact CD1-CD2 3.57Å; I597-Y690 HydrophobicContact CD1-CE2 3.68Å; I597-Y690 HydrophobicContact CD1-CG 4.32Å; I597-Y690 HydrophobicContact CG1-CD2 3.9Å; I597-Y690 HydrophobicContact CG1-CE2 3.46Å; I597-Y690 VanDerWaalsContact CG1-CE2 3.46Å; I597-F693 HydrophobicContact CB-CD1 4.12Å; I597-F693 HydrophobicContact CB-CE1 4.27Å; I597-F693 HydrophobicContact CD1-CB 4.02Å; I597-F693 HydrophobicContact CD1-CD1 3.41Å; I597-F693 VanDerWaalsContact CD1-CD1 3.41Å; I597-F693 HydrophobicContact CD1-CE1 4.3Å; I597-F693 HydrophobicContact CD1-CG 4.13Å; I597-F693 HydrophobicContact CG1-CD1 4.36Å; I597-F693 HydrophobicContact CG2-CD1 4.03Å; I597-F693 HydrophobicContact CG2-CE1 4.23Å; I597-V694 HydrophobicContact CD1-CG2 3.61Å; I597-V694 HydrophobicContact CG1-CG2 3.7Å; I597-V694 HydrophobicContact CG2-CG2 4.01Å; I597-Y697 HydrophobicContact CG2-CD1 4.36Å; I597-Y697 HydrophobicContact CG2-CG 4.27Å
598T82.9Confident72.6Confident45 Ų4539.9 Ų39.928%0.27623%0.233SC..Hα-helixtrans-56.3-41.4175.949.50000112.4E594 A595 S602 Y697E594-T598 WeakPolarHBondContact O-CG2 3.44Å; E594-T598 PolarHBondContact O-N 3.1Å; E594-T598 PolarHBondContact O-OG1 3.2Å; A595-T598 WeakPolarHBondContact CA-OG1 3.1Å; A595-T598 PolarHBondContact O-OG1 3.19Å; T598-S602 WeakPolarHBondContact O-CB 3.36Å; T598-S602 PolarHBondContact O-N 3.33Å; T598-S602 PolarHBondContact O-OG 3.17Å; T598-Y697 HydrophobicContact CG2-CD2 4.23Å; T598-Y697 HydrophobicContact CG2-CE2 3.59Å
599H78.6Confident70.1Confident10 Ų1043.6 Ų43.65%0.04626%0.262CS..Hα-helixtrans-63-44.9175.6177.4-84000112.9L558 H561 A564 A595 I597 F601 S602 S603L558-H599 HydrophobicContact CD2-CB 4.06Å; H561-H599 AromaticContact ND1-CD2 3.77Å; A564-H599 WeakPolarHBondContact CB-NE2 3.38Å; A564-H599 PolarHBondContact N-NE2 3.41Å; A564-H599 VanDerWaalsContact N-NE2 3.13Å; A595-H599 WeakPolarHBondContact O-CB 3.48Å; A595-H599 PolarHBondContact O-N 3.13Å; A595-H599 VanDerWaalsContact O-N 3.07Å; I597-H599 VanDerWaalsContact C-N 3.28Å; I597-H599 PolarHBondContact O-N 2.75Å; H599-F601 VanDerWaalsContact C-N 3.31Å; H599-F601 PolarHBondContact O-N 3.09Å; H599-S602 PolarHBondContact O-N 2.93Å; H599-S603 PolarHBondContact O-N 2.91Å; H599-S603 VanDerWaalsContact O-N 3.16Å; H599-S603 PolarHBondContact O-OG 3.41Å
600S77.9Confident67.2Low6 Ų648.2 Ų48.24%0.04229%0.294CS..Hα-helixtrans-61.4-39.4-179.8-61.70000111.7H596 I597H596-S600 WeakPolarHBondContact O-CB 3.27Å; H596-S600 PolarHBondContact O-N 3.28Å; H596-S600 PolarHBondContact O-OG 3.32Å; I597-S600 WeakPolarHBondContact O-CB 3.43Å; I597-S600 PolarHBondContact O-N 3.13Å; I597-S600 VanDerWaalsContact O-N 3.13Å
601F75Confident64.5Low29 Ų2955.4 Ų55.413%0.12733%0.331CS..Hα-helixtrans-75.5-37175.9-75.7-74.5000113.4I597 H599 S603 N604 L632 V694 Y697 Q698I597-F601 HydrophobicContact CG2-CD2 3.88Å; I597-F601 HydrophobicContact CG2-CE2 3.71Å; I597-F601 VanDerWaalsContact O-CD2 3.24Å; I597-F601 WeakPolarHBondContact O-CD2 3.25Å; I597-F601 PolarHBondContact O-N 3.33Å; I597-F601 VanDerWaalsContact O-N 3.13Å; H599-F601 VanDerWaalsContact C-N 3.31Å; H599-F601 PolarHBondContact O-N 3.09Å; F601-S603 PolarHBondContact O-N 3.18Å; F601-N604 PolarHBondContact O-N 3.37Å; F601-L632 HydrophobicContact CE2-CD1 4.43Å; F601-L632 HydrophobicContact CZ-CD1 4.12Å; F601-V694 HydrophobicContact CE2-CG1 4.46Å; F601-V694 HydrophobicContact CZ-CG1 4.36Å; F601-Y697 HydrophobicContact CB-CD1 4.44Å; F601-Y697 HydrophobicContact CB-CE1 3.69Å; F601-Y697 AromaticContact CD2-CD1 3.28Å; F601-Y697 HydrophobicContact CD2-CD1 3.28Å; F601-Y697 AromaticContact CD2-CE1 3.41Å; F601-Y697 HydrophobicContact CD2-CE1 3.41Å; F601-Y697 VanDerWaalsContact CD2-CE1 3.41Å; F601-Y697 HydrophobicContact CD2-CG 4.4Å; F601-Y697 AromaticContact CE2-CD1 3.57Å; F601-Y697 HydrophobicContact CE2-CD1 3.57Å; F601-Y697 HydrophobicContact CE2-CE1 4.17Å; F601-Y697 HydrophobicContact CE2-CG 4.5Å; F601-Y697 AromaticContact CG-CD1 3.92Å; F601-Y697 HydrophobicContact CG-CD1 3.92Å; F601-Y697 AromaticContact CG-CE1 3.65Å; F601-Y697 HydrophobicContact CG-CE1 3.65Å; F601-Y697 HydrophobicContact CZ-CD1 4.38Å; F601-Q698 HydrophobicContact CZ-CB 4.23Å
602S68.6Low61.7Low45 Ų4559.8 Ų59.832%0.31536%0.356SS..Hα-helixtrans-69.3-30.7-177.3-58.90000113.5T598 H599 N604 S605T598-S602 WeakPolarHBondContact O-CB 3.36Å; T598-S602 PolarHBondContact O-N 3.33Å; T598-S602 PolarHBondContact O-OG 3.17Å; H599-S602 PolarHBondContact O-N 2.93Å; S602-N604 PolarHBondContact O-N 3.24Å; S602-S605 PolarHBondContact O-N 3.32Å; S602-S605 PolarHBondContact O-OG 3.31Å
603S58.2Low58.9Low49 Ų4967.9 Ų67.934%0.34339%0.394SS..THydrogen-bonded Turntrans-62.1-11.5-179-60.90000113.7A564 H599 F601A564-S603 VanDerWaalsContact CB-OG 3.24Å; A564-S603 WeakPolarHBondContact CB-OG 3.44Å; H599-S603 PolarHBondContact O-N 2.91Å; H599-S603 VanDerWaalsContact O-N 3.16Å; H599-S603 PolarHBondContact O-OG 3.41Å; F601-S603 PolarHBondContact O-N 3.18Å
604N51.4Low56Low56 Ų5675 Ų7530%0.29943%0.432SS..THydrogen-bonded Turntrans-91.4-19.3-174.7-135.320.7000114.3F601 S602 N606 S624 I628F601-N604 PolarHBondContact O-N 3.37Å; S602-N604 PolarHBondContact O-N 3.24Å; N604-N606 PolarHBondContact O-N 3.24Å; N604-S624 PolarHBondContact ND2-O 3.4Å; N604-I628 WeakPolarHBondContact ND2-CD1 3.16Å; N604-I628 VanDerWaalsContact ND2-CG1 3.27Å; N604-I628 WeakPolarHBondContact ND2-CG1 3.49Å
605S46.3Very low53.2Low80 Ų8080.5 Ų80.556%0.55946%0.461SS*.G310 helixtrans-72.6-25.8-172.560.20000114.1S602 S608S602-S605 PolarHBondContact O-N 3.32Å; S602-S605 PolarHBondContact O-OG 3.31Å; S605-S608 PolarHBondContact O-OG 3.46Å
606N38.9Very low50.9Low134 Ų13486.3 Ų86.372%0.71750%0.498SS*.G310 helixtrans-90.2-4-170.4-70.7-7.3000115.3N604N604-N606 PolarHBondContact O-N 3.24Å
607N36Very low48.1Very low122 Ų12290 Ų9065%0.65254%0.536SS*.G310 helixtrans-102.210.8-175.9-77.4-9.5000114.5
608S31.9Very low45.3Very low108 Ų10894.3 Ų94.376%0.75557%0.566SS**SBendtrans-85.6-5.5-176.654.10000115.4S605S605-S608 PolarHBondContact O-OG 3.46Å
609S33.2Very low42.8Very low110 Ų11099.2 Ų99.277%0.76960%0.596SS**SBendtrans-117.910.6-171.462.50000117.4
610S29Very low40.4Very low97 Ų97104 Ų10468%0.67863%0.627SS**  trans-150.677.1178.265.80000114.6
611I33.1Very low38.1Very low153 Ų153109.5 Ų109.579%0.78566%0.66SS**  trans-137.479.8155.3-54178.9000108
612N30.3Very low36Very low159 Ų159112.8 Ų112.885%0.8568%0.683SS**  trans-96.9102.9150.2-81.3-20.1000105.6
613H30.1Very low34.5Very low172 Ų172115.4 Ų115.480%0.79670%0.697SS**  trans-163.8127.9149.7-115.6-61.8000111.3I615H613-I615 PolarHBondContact O-N 3.36Å
614D29.2Very low33.5Very low151 Ų151117 Ų11781%0.80771%0.708SS**  trans-54.4119.4178.8-56.2-63.6000113.1
615I32.4Very low32.9Very low158 Ų158116.9 Ų116.981%0.8171%0.71SS**  trans-140.2115.9151.9-56.2179.3000107.4H613H613-I615 PolarHBondContact O-N 3.36Å
616P34.9Very low32.5Very low128 Ų128115.3 Ų115.383%0.83170%0.702SS**  trans-81.4129.917831.3-29.5000110.2
617G26.7Very low32.6Very low78 Ų78117 Ų11780%0.80470%0.699SS**SBendtrans101.961.3165.400000116
618S27.6Very low33.3Very low90 Ų90112.8 Ų112.863%0.62968%0.676SS**SBendtrans-163.1141.8136.357.80000109.4T620S618-T620 WeakPolarHBondContact O-CG2 3.3Å; S618-T620 PolarHBondContact O-N 3.24Å; S618-T620 PolarHBondContact O-OG1 2.88Å; S618-T620 VanDerWaalsContact O-OG1 3.1Å
619T29.4Very low34.1Very low148 Ų148111.9 Ų111.991%0.90866%0.663SS**  trans-51.8103.2-179.244.10000111.6
620T28.6Very low35.3Very low112 Ų112111.9 Ų111.969%0.68765%0.653SS**  trans-116.887.9-169.630.30000111.1S618S618-T620 WeakPolarHBondContact O-CG2 3.3Å; S618-T620 PolarHBondContact O-N 3.24Å; S618-T620 PolarHBondContact O-OG1 2.88Å; S618-T620 VanDerWaalsContact O-OG1 3.1Å
621T28.6Very low37.3Very low121 Ų121108.8 Ų108.874%0.74263%0.632SS**  trans-15460.1157.556.30000111.4
622T32.5Very low39.6Very low98 Ų98101.5 Ų101.560%0.60160%0.595SS**  trans-147.97.1174.245.30000115.4S624T622-S624 PolarHBondContact O-N 2.96Å
623T36Very low42.1Very low99 Ų9994 Ų9461%0.60755%0.554SS**Hα-helixtrans-72-27.9-170.146.50000115
624S37.1Very low44.5Very low84 Ų8487.6 Ų87.659%0.58753%0.529SS*.Hα-helixtrans-75.4-32.3-173.9-57.50000115.1N604 T622N604-S624 PolarHBondContact ND2-O 3.4Å; T622-S624 PolarHBondContact O-N 2.96Å
625T38.4Very low47.1Very low53 Ų5382.6 Ų82.633%0.32550%0.501SS..Hα-helixtrans-83-31.4176.749.50000111.9Y627 I628 N629 E713T625-Y627 VanDerWaalsContact C-N 3.29Å; T625-Y627 PolarHBondContact O-N 3.19Å; T625-I628 PolarHBondContact O-N 3.37Å; T625-N629 PolarHBondContact O-N 3.41Å; T625-E713 HydrophobicContact CG2-CG 4.38Å
626A39.1Very low49.3Very low47 Ų4780.9 Ų80.939%0.38849%0.489SS..Hα-helixtrans-59.1-39.3176.300000112.1N629 L630A626-N629 PolarHBondContact O-N 2.67Å; A626-L630 WeakPolarHBondContact O-CD1 3.42Å
627Y40.8Very low51.6Low170 Ų17077.1 Ų77.167%0.66746%0.461SS*.Hα-helixtrans-67.6-36.3179.3-104.4-88.8000113.9T625 N629 L630T625-Y627 VanDerWaalsContact C-N 3.29Å; T625-Y627 PolarHBondContact O-N 3.19Å; Y627-N629 VanDerWaalsContact C-N 3.3Å; Y627-N629 PolarHBondContact O-N 3.49Å; Y627-L630 PolarHBondContact O-N 2.99Å
628I49.5Very low54.3Low32 Ų3273.4 Ų73.416%0.16442%0.423CS..Hα-helixtrans-58.4-45.8176.1-62.1173.5000109.9N604 T625 L630 S631 L632 V717N604-I628 WeakPolarHBondContact ND2-CD1 3.16Å; N604-I628 VanDerWaalsContact ND2-CG1 3.27Å; N604-I628 WeakPolarHBondContact ND2-CG1 3.49Å; T625-I628 PolarHBondContact O-N 3.37Å; I628-L630 VanDerWaalsContact C-N 3.26Å; I628-L630 PolarHBondContact O-N 3.48Å; I628-S631 PolarHBondContact O-N 3.07Å; I628-S631 VanDerWaalsContact O-N 3.17Å; I628-S631 PolarHBondContact O-OG 3.09Å; I628-L632 HydrophobicContact CG2-CD1 3.74Å; I628-L632 PolarHBondContact O-N 3.36Å; I628-V717 HydrophobicContact CG2-CG2 4.47Å
629N50.7Low56.8Low90 Ų9070.2 Ų70.248%0.48140%0.398SS..Hα-helixtrans-64.2-23.7-178.3-80.3-12.8000114.3T625 A626 Y627T625-N629 PolarHBondContact O-N 3.41Å; A626-N629 PolarHBondContact O-N 2.67Å; Y627-N629 VanDerWaalsContact C-N 3.3Å; Y627-N629 PolarHBondContact O-N 3.49Å
630L57.6Low59.2Low109 Ų10966.3 Ų66.357%0.57137%0.371SS*.Hα-helixtrans-78.4-28.4176.7-87.189.9000113A626 Y627 I628A626-L630 WeakPolarHBondContact O-CD1 3.42Å; Y627-L630 PolarHBondContact O-N 2.99Å; I628-L630 VanDerWaalsContact C-N 3.26Å; I628-L630 PolarHBondContact O-N 3.48Å
631S69.9Low61.7Low32 Ų3262.3 Ų62.322%0.22435%0.345CS..Hα-helixtrans-84.4-40-177.165.80000113.2I628I628-S631 PolarHBondContact O-N 3.07Å; I628-S631 VanDerWaalsContact O-N 3.17Å; I628-S631 PolarHBondContact O-OG 3.09Å
632L81.7Confident64Low1 Ų156.6 Ų56.61%0.00531%0.31CS..SBendtrans-79.1156.4-179.4-65.2170.4000112.1K571 F601 I628 S634 Y690 V694 V717K571-L632 WeakPolarHBondContact CD-O 3.21Å; K571-L632 WeakPolarHBondContact CE-O 3.3Å; K571-L632 PolarHBondContact NZ-O 3.23Å; F601-L632 HydrophobicContact CE2-CD1 4.43Å; F601-L632 HydrophobicContact CZ-CD1 4.12Å; I628-L632 HydrophobicContact CG2-CD1 3.74Å; I628-L632 PolarHBondContact O-N 3.36Å; L632-S634 PolarHBondContact O-N 3.4Å; L632-Y690 WeakPolarHBondContact CD2-OH 3.45Å; L632-V694 HydrophobicContact CD1-CG1 4.43Å; L632-V694 HydrophobicContact CD2-CG2 4.35Å; L632-V717 HydrophobicContact CD1-CG1 4.15Å; L632-V717 HydrophobicContact CD1-CG2 3.99Å
633I83.1Confident65.7Low1 Ų154.3 Ų54.31%0.00530%0.296CS..PPolyproline II helixtrans-64.6129.2173.3-56.2176.4000107.7I575 E637 I638 F687 Y690 Y718I575-I633 HydrophobicContact CD1-CG1 4.31Å; I575-I633 HydrophobicContact CD1-CG2 4.22Å; I575-I633 HydrophobicContact CG1-CD1 3.97Å; I575-I633 HydrophobicContact CG1-CG1 4.04Å; I575-I633 HydrophobicContact CG1-CG2 4.36Å; I633-E637 HydrophobicContact CG2-CB 3.85Å; I633-E637 WeakPolarHBondContact CG2-OE2 3.43Å; I633-I638 HydrophobicContact CG2-CD1 4.43Å; I633-I638 HydrophobicContact CG2-CG1 3.81Å; I633-F687 HydrophobicContact CD1-CD1 4.42Å; I633-F687 HydrophobicContact CD1-CE1 4.08Å; I633-Y690 HydrophobicContact CB-CD1 4.39Å; I633-Y690 HydrophobicContact CB-CE1 3.58Å; I633-Y690 HydrophobicContact CD1-CD1 3.95Å; I633-Y690 HydrophobicContact CD1-CD2 4.19Å; I633-Y690 HydrophobicContact CD1-CE1 3.69Å; I633-Y690 HydrophobicContact CD1-CE2 3.95Å; I633-Y690 HydrophobicContact CD1-CG 4.2Å; I633-Y690 HydrophobicContact CG1-CD1 4.48Å; I633-Y690 HydrophobicContact CG1-CE1 3.75Å; I633-Y690 HydrophobicContact CG1-CE2 4.29Å; I633-Y690 PolarHBondContact N-OH 3Å; I633-Y718 WeakPolarHBondContact O-CE1 3.31Å; I633-Y718 PolarHBondContact O-OH 3.2Å
634S80.9Confident67.1Low38 Ų3855.2 Ų55.227%0.26630%0.297SS..PPolyproline II helixtrans-74.6153-173.870.40000111.1L632 Q636 E637 I638L632-S634 PolarHBondContact O-N 3.4Å; S634-Q636 PolarHBondContact O-N 2.93Å; S634-E637 PolarHBondContact N-OE2 2.8Å; S634-E637 VanDerWaalsContact N-OE2 3.08Å; S634-E637 WeakPolarHBondContact O-CB 3.32Å; S634-E637 PolarHBondContact O-N 3.12Å; S634-E637 VanDerWaalsContact O-N 3.08Å; S634-E637 VanDerWaalsContact OG-CG 3.22Å; S634-E637 WeakPolarHBondContact OG-CG 3.3Å; S634-E637 PolarHBondContact OG-N 3.11Å; S634-E637 PolarHBondContact OG-OE1 3.41Å; S634-I638 PolarHBondContact O-N 2.99Å; S634-I638 VanDerWaalsContact O-N 3.13Å
635E82.8Confident68Low45 Ų4552.9 Ų52.921%0.2128%0.281CS..Hα-helixtrans-55.8-39.8176.8-170176.1147.100111.8E637 I638 I639 Y718 S719 L722E635-E637 PolarHBondContact O-N 3.43Å; E635-I638 PolarHBondContact O-N 3.33Å; E635-I639 HydrophobicContact CG-CD1 3.89Å; E635-I639 HydrophobicContact CG-CG1 4.46Å; E635-I639 WeakPolarHBondContact O-CB 3.36Å; E635-I639 VanDerWaalsContact O-CG1 3.25Å; E635-I639 WeakPolarHBondContact O-CG1 3.38Å; E635-I639 PolarHBondContact O-N 3.18Å; E635-Y718 HydrophobicContact CB-CD1 4.02Å; E635-Y718 HydrophobicContact CG-CD1 4.33Å; E635-S719 WeakPolarHBondContact OE1-CB 3.48Å; E635-S719 PolarHBondContact OE1-OG 3.46Å; E635-S719 WeakPolarHBondContact OE2-CB 3.39Å; E635-S719 PolarHBondContact OE2-N 3.13Å; E635-S719 PolarHBondContact OE2-OG 3.5Å; E635-L722 HydrophobicContact CG-CB 4.38Å; E635-L722 HydrophobicContact CG-CD1 4.14Å
636Q79Confident68.6Low122 Ų12259.4 Ų59.457%0.5731%0.305SS*.Hα-helixtrans-65.4-36.7177.9-67-63.7-25.800112.6S634 N640S634-Q636 PolarHBondContact O-N 2.93Å; Q636-N640 VanDerWaalsContact O-CB 3.27Å; Q636-N640 WeakPolarHBondContact O-CB 2.84Å; Q636-N640 PolarHBondContact O-N 3.32Å; Q636-N640 PolarHBondContact O-ND2 2.9Å; Q636-N640 PolarHBondContact O-OD1 3.43Å
637E83.4Confident69.2Low50 Ų5058.6 Ų58.623%0.23430%0.296CS..Hα-helixtrans-64.9-44174.4-74.5151.8-144.700111.1K571 I575 I633 S634 E635 N640 E641K571-E637 VanDerWaalsContact CE-CD 3.4Å; K571-E637 WeakPolarHBondContact CE-OE1 3.4Å; K571-E637 WeakPolarHBondContact CE-OE2 3.39Å; K571-E637 IonicContact NZ-OE1 2.72Å; K571-E637 PolarHBondContact NZ-OE1 3.27Å; K571-E637 IonicContact NZ-OE2 3.01Å; K571-E637 PolarHBondContact NZ-OE2 3.01Å; K571-E637 VanDerWaalsContact NZ-OE2 3.14Å; I575-E637 VanDerWaalsContact CD1-OE2 3.26Å; I575-E637 WeakPolarHBondContact CD1-OE2 3.39Å; I633-E637 HydrophobicContact CG2-CB 3.85Å; I633-E637 WeakPolarHBondContact CG2-OE2 3.43Å; S634-E637 PolarHBondContact N-OE2 2.8Å; S634-E637 VanDerWaalsContact N-OE2 3.08Å; S634-E637 WeakPolarHBondContact O-CB 3.32Å; S634-E637 PolarHBondContact O-N 3.12Å; S634-E637 VanDerWaalsContact O-N 3.08Å; S634-E637 VanDerWaalsContact OG-CG 3.22Å; S634-E637 WeakPolarHBondContact OG-CG 3.3Å; S634-E637 PolarHBondContact OG-N 3.11Å; S634-E637 PolarHBondContact OG-OE1 3.41Å; E635-E637 PolarHBondContact O-N 3.43Å; E637-N640 PolarHBondContact O-N 2.87Å; E637-E641 WeakPolarHBondContact O-CG 3.16Å; E637-E641 PolarHBondContact O-N 2.93Å; E637-E641 VanDerWaalsContact O-N 3.17Å
638I84.1Confident69.8Low0 Ų050.5 Ų50.50%026%0.264CS..Hα-helixtrans-61.8-49176.6-61174.6000109.7I633 S634 E635 N640 E641 F642 Y690 A691 Y718 L722 I726I633-I638 HydrophobicContact CG2-CD1 4.43Å; I633-I638 HydrophobicContact CG2-CG1 3.81Å; S634-I638 PolarHBondContact O-N 2.99Å; S634-I638 VanDerWaalsContact O-N 3.13Å; E635-I638 PolarHBondContact O-N 3.33Å; I638-N640 VanDerWaalsContact C-N 3.27Å; I638-N640 PolarHBondContact O-N 2.83Å; I638-E641 PolarHBondContact O-N 3.25Å; I638-E641 VanDerWaalsContact O-N 3.16Å; I638-F642 HydrophobicContact CG2-CD2 3.97Å; I638-F642 HydrophobicContact CG2-CE2 3.6Å; I638-F642 WeakPolarHBondContact O-CD2 3.23Å; I638-F642 PolarHBondContact O-N 3.16Å; I638-Y690 HydrophobicContact CD1-CD1 4.49Å; I638-A691 HydrophobicContact CD1-CB 4.34Å; I638-Y718 HydrophobicContact CD1-CD1 4.25Å; I638-Y718 HydrophobicContact CD1-CE1 3.56Å; I638-Y718 HydrophobicContact CD1-CE2 4.22Å; I638-L722 HydrophobicContact CB-CD1 4.41Å; I638-L722 HydrophobicContact CG2-CD1 3.97Å; I638-L722 HydrophobicContact CG2-CD2 4.5Å; I638-I726 HydrophobicContact CG2-CD1 4.4Å
639I80Confident70.2Confident22 Ų2253.2 Ų53.211%0.11328%0.279CS..Hα-helixtrans-57.2-42.2176.9-68.7168000110.6E635 E641 F642 T643 L722 I725E635-I639 HydrophobicContact CG-CD1 3.89Å; E635-I639 HydrophobicContact CG-CG1 4.46Å; E635-I639 WeakPolarHBondContact O-CB 3.36Å; E635-I639 VanDerWaalsContact O-CG1 3.25Å; E635-I639 WeakPolarHBondContact O-CG1 3.38Å; E635-I639 PolarHBondContact O-N 3.18Å; I639-E641 VanDerWaalsContact C-N 3.31Å; I639-E641 PolarHBondContact O-N 3.45Å; I639-F642 CarbonylContact O-C 3.58Å; I639-F642 PolarHBondContact O-N 3.37Å; I639-F642 VanDerWaalsContact O-N 3.11Å; I639-T643 HydrophobicContact CG2-CG2 3.78Å; I639-T643 WeakPolarHBondContact O-CG2 3.36Å; I639-T643 PolarHBondContact O-N 3.04Å; I639-T643 PolarHBondContact O-OG1 3.25Å; I639-T643 VanDerWaalsContact O-OG1 3.13Å; I639-L722 HydrophobicContact CD1-CD1 4.35Å; I639-L722 HydrophobicContact CG1-CD1 3.67Å; I639-I725 HydrophobicContact CD1-CD1 4.14Å; I639-I725 HydrophobicContact CG1-CD1 4.26Å
640N80.3Confident70.4Confident66 Ų6651.7 Ų51.735%0.35327%0.271SS..Hα-helixtrans-62.2-34.3179.6-74.3-18.7000113.5Q636 E637 I638 F642 T643 N644Q636-N640 VanDerWaalsContact O-CB 3.27Å; Q636-N640 WeakPolarHBondContact O-CB 2.84Å; Q636-N640 PolarHBondContact O-N 3.32Å; Q636-N640 PolarHBondContact O-ND2 2.9Å; Q636-N640 PolarHBondContact O-OD1 3.43Å; E637-N640 PolarHBondContact O-N 2.87Å; I638-N640 VanDerWaalsContact C-N 3.27Å; I638-N640 PolarHBondContact O-N 2.83Å; N640-F642 VanDerWaalsContact C-N 3.31Å; N640-T643 WeakPolarHBondContact CA-OG1 3.26Å; N640-T643 PolarHBondContact O-N 3.25Å; N640-T643 PolarHBondContact O-OG1 3.45Å; N640-N644 WeakPolarHBondContact O-CB 3.32Å; N640-N644 PolarHBondContact O-N 2.82Å; N640-N644 PolarHBondContact O-ND2 3.46Å
641E79.6Confident70.4Confident28 Ų2846.7 Ų46.713%0.13124%0.244CC..Hα-helixtrans-67-34.6174.8-65.1-60.9131.200112.1R579 E637 I638 I639 F687R579-E641 IonicContact CZ-OE1 2.78Å; R579-E641 IonicContact NE-OE1 3.08Å; R579-E641 PolarHBondContact NE-OE1 3.17Å; R579-E641 IonicContact NE-OE2 3.82Å; R579-E641 IonicContact NH2-OE1 3.87Å; R579-E641 PolarHBondContact NH2-OE1 2.83Å; E637-E641 WeakPolarHBondContact O-CG 3.16Å; E637-E641 PolarHBondContact O-N 2.93Å; E637-E641 VanDerWaalsContact O-N 3.17Å; I638-E641 PolarHBondContact O-N 3.25Å; I638-E641 VanDerWaalsContact O-N 3.16Å; I639-E641 VanDerWaalsContact C-N 3.31Å; I639-E641 PolarHBondContact O-N 3.45Å; E641-F687 HydrophobicContact CB-CD2 4.04Å; E641-F687 HydrophobicContact CB-CE2 4.23Å; E641-F687 HydrophobicContact CG-CD2 3.74Å; E641-F687 HydrophobicContact CG-CE1 4.35Å; E641-F687 HydrophobicContact CG-CE2 3.48Å; E641-F687 VanDerWaalsContact CG-CE2 3.48Å; E641-F687 HydrophobicContact CG-CG 4.32Å; E641-F687 HydrophobicContact CG-CZ 3.82Å
642F76.6Confident70Confident2 Ų247.6 Ų47.61%0.00924%0.244CC..Hα-helixtrans-83.8-23.1175.7-64-71000112.6I638 I639 N640 F648 Q684 F687 L688 I726 L731I638-F642 HydrophobicContact CG2-CD2 3.97Å; I638-F642 HydrophobicContact CG2-CE2 3.6Å; I638-F642 WeakPolarHBondContact O-CD2 3.23Å; I638-F642 PolarHBondContact O-N 3.16Å; I639-F642 CarbonylContact O-C 3.58Å; I639-F642 PolarHBondContact O-N 3.37Å; I639-F642 VanDerWaalsContact O-N 3.11Å; N640-F642 VanDerWaalsContact C-N 3.31Å; F642-F648 HydrophobicContact CB-CE1 4.08Å; F642-F648 HydrophobicContact CB-CZ 4.29Å; F642-F648 HydrophobicContact CD1-CE1 4.35Å; F642-F648 HydrophobicContact CD1-CE2 4.23Å; F642-F648 AromaticContact CD1-CZ 3.71Å; F642-F648 HydrophobicContact CD1-CZ 3.71Å; F642-F648 HydrophobicContact CG-CZ 4.48Å; F642-F648 WeakPolarHBondContact O-CD1 3.29Å; F642-F648 VanDerWaalsContact O-CE1 3.23Å; F642-F648 WeakPolarHBondContact O-CE1 3.32Å; F642-F648 WeakPolarHBondContact O-CG 3.35Å; F642-Q684 HydrophobicContact CD1-CG 4.37Å; F642-Q684 HydrophobicContact CE1-CB 3.9Å; F642-Q684 HydrophobicContact CE1-CG 4.21Å; F642-F687 HydrophobicContact CE2-CB 4.46Å; F642-F687 HydrophobicContact CZ-CB 4.38Å; F642-L688 HydrophobicContact CZ-CB 4.49Å; F642-I726 HydrophobicContact CD2-CD1 4.13Å; F642-I726 HydrophobicContact CD2-CG1 3.86Å; F642-I726 HydrophobicContact CE1-CG2 4.24Å; F642-I726 HydrophobicContact CE2-CD1 3.72Å; F642-I726 HydrophobicContact CE2-CG1 3.87Å; F642-I726 HydrophobicContact CG-CG1 4.34Å; F642-I726 HydrophobicContact CZ-CD1 4.26Å; F642-I726 HydrophobicContact CZ-CG1 4.32Å; F642-I726 HydrophobicContact CZ-CG2 4.17Å; F642-L731 HydrophobicContact CE1-CD1 3.88Å
643T70.2Confident69Low49 Ų4949.3 Ų49.330%0.30125%0.252SS..Hα-helixtrans-92.3-34.1-178.758.10000114.5I639 N640 K652I639-T643 HydrophobicContact CG2-CG2 3.78Å; I639-T643 WeakPolarHBondContact O-CG2 3.36Å; I639-T643 PolarHBondContact O-N 3.04Å; I639-T643 PolarHBondContact O-OG1 3.25Å; I639-T643 VanDerWaalsContact O-OG1 3.13Å; N640-T643 WeakPolarHBondContact CA-OG1 3.26Å; N640-T643 PolarHBondContact O-N 3.25Å; N640-T643 PolarHBondContact O-OG1 3.45Å; T643-K652 WeakPolarHBondContact O-CE 3.35Å; T643-K652 PolarHBondContact O-NZ 3.43Å
644N63.7Low67.9Low119 Ų11949.5 Ų49.564%0.63625%0.253SS*.SBendtrans-86.6-15.8-167.9-73.4-36.4000115.5N640 K646N640-N644 WeakPolarHBondContact O-CB 3.32Å; N640-N644 PolarHBondContact O-N 2.82Å; N640-N644 PolarHBondContact O-ND2 3.46Å; N644-K646 PolarHBondContact O-N 3.12Å
645S55.7Low66.9Low35 Ų3547.7 Ų47.725%0.24524%0.24CC..  trans-70122.3-176.5-168.80000111.4S647 F648S645-S647 PolarHBondContact O-N 2.96Å; S645-S647 PolarHBondContact OG-OG 2.98Å; S645-F648 WeakPolarHBondContact O-CB 3.33Å; S645-F648 PolarHBondContact O-N 3.42Å
646K52.3Low65.6Low190 Ų19046.9 Ų46.983%0.82624%0.239SC*.THydrogen-bonded Turntrans-54.7-23.3178.6-68.2-179.3179.4178.60113.1N644N644-K646 PolarHBondContact O-N 3.12Å
647S51.4Low64.3Low29 Ų2943.6 Ų43.620%0.20324%0.238CC..THydrogen-bonded Turntrans-83.6-12178.749.90000115.1S645 N649S645-S647 PolarHBondContact O-N 2.96Å; S645-S647 PolarHBondContact OG-OG 2.98Å; S647-N649 VanDerWaalsContact C-N 3.33Å; S647-N649 PolarHBondContact O-N 3.46Å
648F53.8Low62.7Low1 Ų144.3 Ų44.30%0.00424%0.243CC..THydrogen-bonded Turntrans-81.9-5.3-165.4-147.2-115.5000114F642 S645 L650 I651 K652 P727F642-F648 HydrophobicContact CB-CE1 4.08Å; F642-F648 HydrophobicContact CB-CZ 4.29Å; F642-F648 HydrophobicContact CD1-CE1 4.35Å; F642-F648 HydrophobicContact CD1-CE2 4.23Å; F642-F648 AromaticContact CD1-CZ 3.71Å; F642-F648 HydrophobicContact CD1-CZ 3.71Å; F642-F648 HydrophobicContact CG-CZ 4.48Å; F642-F648 WeakPolarHBondContact O-CD1 3.29Å; F642-F648 VanDerWaalsContact O-CE1 3.23Å; F642-F648 WeakPolarHBondContact O-CE1 3.32Å; F642-F648 WeakPolarHBondContact O-CG 3.35Å; S645-F648 WeakPolarHBondContact O-CB 3.33Å; S645-F648 PolarHBondContact O-N 3.42Å; F648-L650 VanDerWaalsContact C-N 3.33Å; F648-L650 PolarHBondContact O-N 3.05Å; F648-I651 HydrophobicContact CD2-CB 3.94Å; F648-I651 HydrophobicContact CD2-CD1 3.98Å; F648-I651 HydrophobicContact CD2-CG1 4.41Å; F648-I651 HydrophobicContact CD2-CG2 4.35Å; F648-I651 HydrophobicContact CE1-CB 4.49Å; F648-I651 HydrophobicContact CE2-CB 3.87Å; F648-I651 HydrophobicContact CE2-CD1 4.08Å; F648-I651 HydrophobicContact CE2-CG2 3.77Å; F648-I651 HydrophobicContact CG-CB 4.28Å; F648-I651 HydrophobicContact CZ-CB 4.14Å; F648-I651 HydrophobicContact CZ-CG2 3.85Å; F648-I651 PolarHBondContact O-N 3.11Å; F648-K652 HydrophobicContact CB-CG 4.35Å; F648-K652 HydrophobicContact CD1-CB 4.31Å; F648-K652 HydrophobicContact CD1-CD 4.14Å; F648-K652 HydrophobicContact CD1-CG 3.23Å; F648-K652 HydrophobicContact CE1-CG 3.86Å; F648-K652 HydrophobicContact CG-CG 4.16Å; F648-K652 WeakPolarHBondContact O-CB 3.37Å; F648-K652 WeakPolarHBondContact O-CG 3.18Å; F648-K652 PolarHBondContact O-N 2.9Å; F648-P727 HydrophobicContact CE1-CG 4.06Å; F648-P727 HydrophobicContact CE2-CG 4.39Å; F648-P727 HydrophobicContact CZ-CG 3.49Å; F648-P727 VanDerWaalsContact CZ-CG 3.49Å
649N57Low60.7Low89 Ų8951.5 Ų51.548%0.47628%0.276SS..Hα-helixtrans-57.6-39.9-172.1-72.3-15.9000113.9S647S647-N649 VanDerWaalsContact C-N 3.33Å; S647-N649 PolarHBondContact O-N 3.46Å
650L55.9Low58.5Low58 Ų5855.2 Ų55.230%0.30430%0.296SS..Hα-helixtrans-69.9-35.2174.9-99.3137.5000112.6F648 F653 L672 L887F648-L650 VanDerWaalsContact C-N 3.33Å; F648-L650 PolarHBondContact O-N 3.05Å; L650-F653 WeakPolarHBondContact O-CB 3.37Å; L650-F653 PolarHBondContact O-N 3.47Å; L650-L672 HydrophobicContact CD1-CD2 4.42Å; L650-L887 HydrophobicContact CD2-CB 4Å; L650-L887 HydrophobicContact CD2-CD1 3.82Å
651I58.2Low56.1Low4 Ų459 Ų592%0.02131%0.311CS..Hα-helixtrans-81.5-36.3-175.8-48.9-179.4000111.3F648 F653 C654 F681 P727 Y730F648-I651 HydrophobicContact CD2-CB 3.94Å; F648-I651 HydrophobicContact CD2-CD1 3.98Å; F648-I651 HydrophobicContact CD2-CG1 4.41Å; F648-I651 HydrophobicContact CD2-CG2 4.35Å; F648-I651 HydrophobicContact CE1-CB 4.49Å; F648-I651 HydrophobicContact CE2-CB 3.87Å; F648-I651 HydrophobicContact CE2-CD1 4.08Å; F648-I651 HydrophobicContact CE2-CG2 3.77Å; F648-I651 HydrophobicContact CG-CB 4.28Å; F648-I651 HydrophobicContact CZ-CB 4.14Å; F648-I651 HydrophobicContact CZ-CG2 3.85Å; F648-I651 PolarHBondContact O-N 3.11Å; I651-F653 PolarHBondContact O-N 3.18Å; I651-F653 VanDerWaalsContact O-N 3.1Å; I651-C654 WeakPolarHBondContact O-CB 3.5Å; I651-C654 PolarHBondContact O-N 3.11Å; I651-F681 HydrophobicContact CD1-CD1 4.24Å; I651-F681 HydrophobicContact CD1-CE1 3.43Å; I651-F681 VanDerWaalsContact CD1-CE1 3.43Å; I651-F681 HydrophobicContact CD1-CE2 3.95Å; I651-F681 HydrophobicContact CD1-CZ 3.28Å; I651-P727 HydrophobicContact CB-CG 4.44Å; I651-P727 HydrophobicContact CG2-CB 3.81Å; I651-P727 HydrophobicContact CG2-CG 3.27Å; I651-Y730 HydrophobicContact CB-CD1 4.42Å; I651-Y730 HydrophobicContact CD1-CD1 3.98Å; I651-Y730 HydrophobicContact CD1-CE1 3.48Å; I651-Y730 VanDerWaalsContact CD1-CE1 3.48Å; I651-Y730 HydrophobicContact CG1-CD1 4.05Å; I651-Y730 HydrophobicContact CG1-CE1 3.66Å; I651-Y730 HydrophobicContact CG2-CD1 3.53Å; I651-Y730 HydrophobicContact CG2-CE1 4.06Å; I651-Y730 HydrophobicContact CG2-CG 3.93Å
652K60.7Low53.6Low50 Ų5061.8 Ų61.822%0.21733%0.334CS..Hα-helixtrans-49.6-36.5169.1-78.1-173.5-175.4168.10111.3T643 F648 C654 A655 I658T643-K652 WeakPolarHBondContact O-CE 3.35Å; T643-K652 PolarHBondContact O-NZ 3.43Å; F648-K652 HydrophobicContact CB-CG 4.35Å; F648-K652 HydrophobicContact CD1-CB 4.31Å; F648-K652 HydrophobicContact CD1-CD 4.14Å; F648-K652 HydrophobicContact CD1-CG 3.23Å; F648-K652 HydrophobicContact CE1-CG 3.86Å; F648-K652 HydrophobicContact CG-CG 4.16Å; F648-K652 WeakPolarHBondContact O-CB 3.37Å; F648-K652 WeakPolarHBondContact O-CG 3.18Å; F648-K652 PolarHBondContact O-N 2.9Å; K652-C654 PolarHBondContact O-N 3.2Å; K652-A655 VanDerWaalsContact O-CB 3.31Å; K652-A655 WeakPolarHBondContact O-CB 3.05Å; K652-A655 PolarHBondContact O-N 2.76Å; K652-I658 HydrophobicContact CB-CD1 3.61Å; K652-I658 HydrophobicContact CD-CD1 4.46Å; K652-I658 HydrophobicContact CG-CD1 4.18Å; K652-I658 VanDerWaalsContact O-CD1 3.23Å; K652-I658 WeakPolarHBondContact O-CD1 3.14Å
653F60.7Low51.1Low37 Ų3770.8 Ų70.816%0.16237%0.373CS..THydrogen-bonded Turntrans-60.2-28.9179.2-161.9-94.8000113.4L650 I651 A655 L660 L887 P891 M931 R934L650-F653 WeakPolarHBondContact O-CB 3.37Å; L650-F653 PolarHBondContact O-N 3.47Å; I651-F653 PolarHBondContact O-N 3.18Å; I651-F653 VanDerWaalsContact O-N 3.1Å; F653-A655 VanDerWaalsContact C-N 3.25Å; F653-A655 PolarHBondContact O-N 3.32Å; F653-L660 HydrophobicContact CE2-CD1 4.4Å; F653-L887 WeakPolarHBondContact CE1-O 3.45Å; F653-P891 HydrophobicContact CE1-CG 3.6Å; F653-P891 HydrophobicContact CE2-CG 4.13Å; F653-P891 HydrophobicContact CZ-CG 3.14Å; F653-M931 HydrophobicContact CD1-CE 4.18Å; F653-M931 HydrophobicContact CD1-SD 4.15Å; F653-M931 HydrophobicContact CE1-CE 4.02Å; F653-M931 HydrophobicContact CE1-SD 4.29Å; F653-R934 WeakPolarHBondContact O-CD 3.38Å; F653-R934 PolarHBondContact O-NH1 3.09Å
654C60.5Low49.3Very low5 Ų572.5 Ų72.53%0.03438%0.38CS..THydrogen-bonded Turntrans-74.6-15.7177.7-59.40000113.1I651 K652 P727 L887 M931I651-C654 WeakPolarHBondContact O-CB 3.5Å; I651-C654 PolarHBondContact O-N 3.11Å; K652-C654 PolarHBondContact O-N 3.2Å; C654-P727 HydrophobicContact CB-CB 3.81Å; C654-L887 WeakPolarHBondContact SG-CD2 3.4Å; C654-M931 HydrophobicContact CB-CB 3.95Å
655A59.5Low47.6Very low0 Ų070.9 Ų70.90%038%0.378CS..SBendtrans-77.3131.9-179.300000111.3K652 F653 G657 I658 I725K652-A655 VanDerWaalsContact O-CB 3.31Å; K652-A655 WeakPolarHBondContact O-CB 3.05Å; K652-A655 PolarHBondContact O-N 2.76Å; F653-A655 VanDerWaalsContact C-N 3.25Å; F653-A655 PolarHBondContact O-N 3.32Å; A655-G657 VanDerWaalsContact C-N 3.3Å; A655-G657 PolarHBondContact O-N 2.62Å; A655-I658 HydrophobicContact CB-CD1 4.46Å; A655-I725 WeakPolarHBondContact CB-O 3.09Å
656P54.9Low46.4Very low29 Ų2976.2 Ų76.219%0.18840%0.404CS..THydrogen-bonded Turntrans-66.7-26.1-176.824.6-34000114I658 D724 R933 L937P656-I658 PolarHBondContact O-N 3.38Å; P656-D724 WeakPolarHBondContact CD-O 3.38Å; P656-D724 HydrophobicContact CG-CB 4.14Å; P656-D724 WeakPolarHBondContact CG-O 3.27Å; P656-R933 HydrophobicContact CB-CB 4.17Å; P656-R933 HydrophobicContact CG-CB 4.17Å; P656-L937 HydrophobicContact CB-CD1 3.94Å
657G51.1Low45.4Very low53 Ų5376.8 Ų76.855%0.54641%0.406SS..THydrogen-bonded Turntrans-80.1-2.1-171.400000117.2A655 H659 D724A655-G657 VanDerWaalsContact C-N 3.3Å; A655-G657 PolarHBondContact O-N 2.62Å; G657-H659 PolarHBondContact O-N 2.64Å; G657-D724 PolarHBondContact N-O 2.79Å
658I51.2Low44.6Very low65 Ų6578.6 Ų78.633%0.33342%0.418SS..  trans-93.296.2-174.6-54.8-175.6000110.8K652 A655 P656 L660K652-I658 HydrophobicContact CB-CD1 3.61Å; K652-I658 HydrophobicContact CD-CD1 4.46Å; K652-I658 HydrophobicContact CG-CD1 4.18Å; K652-I658 VanDerWaalsContact O-CD1 3.23Å; K652-I658 WeakPolarHBondContact O-CD1 3.14Å; A655-I658 HydrophobicContact CB-CD1 4.46Å; P656-I658 PolarHBondContact O-N 3.38Å; I658-L660 PolarHBondContact O-N 3.08Å
659H42.5Very low43.5Very low150 Ų15083.3 Ų83.369%0.69444%0.443SS*.  trans-78109.6165.7-147.7-87.6000108.4G657 Q661G657-H659 PolarHBondContact O-N 2.64Å; H659-Q661 PolarHBondContact O-N 2.86Å
660L33.4Very low42.4Very low101 Ų10185.7 Ų85.753%0.52946%0.456SS..  trans-66.281.3175.7-102133.6000110F653 I658 I664F653-L660 HydrophobicContact CE2-CD1 4.4Å; I658-L660 PolarHBondContact O-N 3.08Å; L660-I664 HydrophobicContact CD2-CD1 4.24Å
661Q29.2Very low41.1Very low144 Ų14490.4 Ų90.467%0.67348%0.476SS*.  trans-121.97.4165.7-108172.1-2.800112.8H659 K663H659-Q661 PolarHBondContact O-N 2.86Å; Q661-K663 PolarHBondContact O-N 2.87Å
662S26.4Very low39.6Very low88 Ų8894.3 Ų94.362%0.61550%0.496SS*.SBendtrans-75.5105.616064.40000107.5I664S662-I664 PolarHBondContact O-N 2.95Å
663K25.9Very low38.2Very low190 Ų19097.3 Ų97.383%0.82651%0.507SS*.  trans-46.595.8157.9-71.7177.2175.8178.80107.1Q661 S665Q661-K663 PolarHBondContact O-N 2.87Å; K663-S665 VanDerWaalsContact C-N 3.26Å; K663-S665 PolarHBondContact O-N 3.19Å
664I30.4Very low36.8Very low85 Ų8599.2 Ų99.244%0.43652%0.518SS..  trans-66.7100.2170.6-66.9171.8000103.1L660 S662 D666 S668 I669L660-I664 HydrophobicContact CD2-CD1 4.24Å; S662-I664 PolarHBondContact O-N 2.95Å; I664-D666 PolarHBondContact O-N 3.14Å; I664-S668 VanDerWaalsContact CG2-OG 3.31Å; I664-S668 WeakPolarHBondContact CG2-OG 3.35Å; I664-I669 HydrophobicContact CG2-CG1 4.4Å
665S28.5Very low35.5Very low86 Ų86101.7 Ų101.760%0.60154%0.535SS*.  trans-46.9126.617154.60000108K663 K667 S668K663-S665 VanDerWaalsContact C-N 3.26Å; K663-S665 PolarHBondContact O-N 3.19Å; S665-K667 PolarHBondContact O-N 2.98Å; S665-S668 PolarHBondContact O-N 3.41Å
666D30.6Very low34.5Very low147 Ų147104.9 Ų104.979%0.78656%0.555SS**THydrogen-bonded Turntrans-54.26.3-172-72.6-44.1000116.3I664I664-D666 PolarHBondContact O-N 3.14Å
667K32.5Very low33.9Very low202 Ų202108.6 Ų108.688%0.87858%0.577SS**THydrogen-bonded Turntrans-97.4-4.6177.1-74-173.3175.7-179.70115.6S665S665-K667 PolarHBondContact O-N 2.98Å
668S33.6Very low33.8Very low66 Ų66113.8 Ų113.846%0.46259%0.587SS.*SBendtrans-109.71.4-179.162.50000116.1I664 S665 N670 H671I664-S668 VanDerWaalsContact CG2-OG 3.31Å; I664-S668 WeakPolarHBondContact CG2-OG 3.35Å; S665-S668 PolarHBondContact O-N 3.41Å; S668-N670 VanDerWaalsContact C-N 3.27Å; S668-N670 PolarHBondContact O-N 3.43Å; S668-H671 PolarHBondContact O-N 2.94Å
669I31.8Very low34.3Very low100 Ų100112.3 Ų112.351%0.51358%0.579SS.*G310 helixtrans-69.7-24.9175.6-65.3174000111.9I664 H671 L672I664-I669 HydrophobicContact CG2-CG1 4.4Å; I669-H671 PolarHBondContact O-N 2.75Å; I669-H671 VanDerWaalsContact O-N 3.09Å; I669-L672 PolarHBondContact O-N 2.84Å
670N32.2Very low35.7Very low140 Ų140107.1 Ų107.175%0.74956%0.556SS**G310 helixtrans-70.1-5.8179.3-75.9-8.8000114.7S668S668-N670 VanDerWaalsContact C-N 3.27Å; S668-N670 PolarHBondContact O-N 3.43Å
671H29.3Very low38Very low156 Ų156102.6 Ų102.672%0.72253%0.533SS*.G310 helixtrans-107.38.1-179.1-112.9-65.4000115S668 I669 Y673S668-H671 PolarHBondContact O-N 2.94Å; I669-H671 PolarHBondContact O-N 2.75Å; I669-H671 VanDerWaalsContact O-N 3.09Å; H671-Y673 PolarHBondContact O-N 2.65Å
672L27.8Very low40.8Very low86 Ų8695.8 Ų95.845%0.4550%0.5SS..  trans-74.613177.6-138113.8000114.2L650 I669L650-L672 HydrophobicContact CD1-CD2 4.42Å; I669-L672 PolarHBondContact O-N 2.84Å
673Y29.9Very low43.8Very low113 Ų11392.3 Ų92.344%0.44348%0.476SS..  trans-103.483.3-178.5-69.8-73.3000110.1H671 S822 N823H671-Y673 PolarHBondContact O-N 2.65Å; Y673-S822 WeakPolarHBondContact CD1-O 3.32Å; Y673-S822 WeakPolarHBondContact CD1-OG 3.02Å; Y673-S822 WeakPolarHBondContact CE1-O 3.06Å; Y673-N823 VanDerWaalsContact CE1-OD1 3.22Å; Y673-N823 WeakPolarHBondContact CE1-OD1 3.49Å; Y673-N823 PolarHBondContact OH-OD1 2.71Å
674I31.9Very low46.7Very low77 Ų7784.1 Ų84.140%0.39544%0.441SS..  trans-129.1122169-49.7177.5000108.4T676I674-T676 PolarHBondContact O-N 3.28Å
675S32.1Very low49.5Very low57 Ų5780 Ų8040%0.39942%0.42SS..  trans-45.2124.9171.941.60000111.4T677S675-T677 PolarHBondContact O-N 3Å
676T40.1Very low52.5Low67 Ų6776 Ų7641%0.41139%0.391SS..G310 helixtrans-68.3-17.3173.544.40000112.5I674 E678I674-T676 PolarHBondContact O-N 3.28Å; T676-E678 PolarHBondContact O-N 3.02Å
677T41.5Very low55.4Low108 Ų10869 Ų6966%0.66335%0.354SS*.G310 helixtrans-77.6-20.2-169.351.60000115R583 S675R583-T677 PolarHBondContact NH2-O 3.29Å; S675-T677 PolarHBondContact O-N 3Å
678E48.8Very low58.2Low162 Ų16259.4 Ų59.476%0.75731%0.312SS*.G310 helixtrans-1102-174.5-67.2-167.7169.900115.3T676T676-E678 PolarHBondContact O-N 3.02Å
679Q61.7Low61Low33 Ų3356.4 Ų56.415%0.15429%0.291CS..  trans-92.4127.1-175-65.1178.87.500112.1F681 Y734Q679-F681 HydrophobicContact CB-CE2 4.37Å; Q679-F681 HydrophobicContact CB-CZ 4.05Å; Q679-Y734 PolarHBondContact O-OH 2.9Å
680D72.3Confident63.9Low41 Ų4151.7 Ų51.722%0.21927%0.267CS..  trans-101.3115.3176.9-168.5-11.3000109.9I582 R583 T682 Y742I582-D680 VanDerWaalsContact CA-OD2 3.24Å; I582-D680 WeakPolarHBondContact CA-OD2 3.46Å; I582-D680 VanDerWaalsContact CG2-OD2 3.28Å; I582-D680 WeakPolarHBondContact CG2-OD2 3.47Å; R583-D680 PolarHBondContact N-OD2 3.39Å; D680-T682 VanDerWaalsContact C-N 3.33Å; D680-T682 WeakPolarHBondContact OD1-CB 3.32Å; D680-T682 PolarHBondContact OD1-N 3.27Å; D680-T682 PolarHBondContact OD1-OG1 3.16Å; D680-Y742 PolarHBondContact OD1-OH 2.9Å
681F82.4Confident66.6Low7 Ų745 Ų453%0.03123%0.231CC..  trans-93.515.3176.6-60.5-63.3000113.3I651 Q679 Q684 L685 Y730 L731 Y734I651-F681 HydrophobicContact CD1-CD1 4.24Å; I651-F681 HydrophobicContact CD1-CE1 3.43Å; I651-F681 VanDerWaalsContact CD1-CE1 3.43Å; I651-F681 HydrophobicContact CD1-CE2 3.95Å; I651-F681 HydrophobicContact CD1-CZ 3.28Å; Q679-F681 HydrophobicContact CB-CE2 4.37Å; Q679-F681 HydrophobicContact CB-CZ 4.05Å; F681-Q684 VanDerWaalsContact CA-OE1 3.27Å; F681-Q684 PolarHBondContact O-N 3.48Å; F681-Q684 PolarHBondContact O-OE1 3.01Å; F681-L685 WeakPolarHBondContact O-CB 3.23Å; F681-L685 WeakPolarHBondContact O-CG 3.26Å; F681-L685 PolarHBondContact O-N 3.04Å; F681-Y730 HydrophobicContact CE2-CE1 4.49Å; F681-L731 HydrophobicContact CB-CD2 4.35Å; F681-Y734 HydrophobicContact CB-CD1 3.98Å; F681-Y734 HydrophobicContact CB-CE1 3.79Å; F681-Y734 AromaticContact CD2-CD1 3.85Å; F681-Y734 HydrophobicContact CD2-CD1 3.85Å; F681-Y734 AromaticContact CD2-CD2 3.6Å; F681-Y734 HydrophobicContact CD2-CD2 3.6Å; F681-Y734 AromaticContact CD2-CE1 3.74Å; F681-Y734 HydrophobicContact CD2-CE1 3.74Å; F681-Y734 AromaticContact CD2-CE2 3.47Å; F681-Y734 HydrophobicContact CD2-CE2 3.47Å; F681-Y734 VanDerWaalsContact CD2-CE2 3.47Å; F681-Y734 AromaticContact CD2-CG 3.77Å; F681-Y734 HydrophobicContact CD2-CG 3.77Å; F681-Y734 AromaticContact CD2-CZ 3.54Å; F681-Y734 AromaticContact CE2-CD2 4Å; F681-Y734 HydrophobicContact CE2-CD2 4Å; F681-Y734 AromaticContact CE2-CE2 3.86Å; F681-Y734 HydrophobicContact CE2-CE2 3.86Å; F681-Y734 HydrophobicContact CG-CD1 4.42Å; F681-Y734 HydrophobicContact CG-CE1 4.26Å
682T87.5Confident69.6Low0 Ų037.6 Ų37.60%020%0.197CC..Hα-helixtrans-54.3-46.5-179.6-60.20000112.9S581 R583 I585 D680 Q684 L685 L686 Y742S581-T682 WeakPolarHBondContact OG-CG2 3.46Å; R583-T682 PolarHBondContact N-OG1 2.66Å; I585-T682 HydrophobicContact CG1-CG2 4.41Å; D680-T682 VanDerWaalsContact C-N 3.33Å; D680-T682 WeakPolarHBondContact OD1-CB 3.32Å; D680-T682 PolarHBondContact OD1-N 3.27Å; D680-T682 PolarHBondContact OD1-OG1 3.16Å; T682-Q684 PolarHBondContact O-N 3.1Å; T682-L685 PolarHBondContact O-N 3.08Å; T682-L686 HydrophobicContact CG2-CD1 4.12Å; T682-L686 WeakPolarHBondContact O-CG 3.46Å; T682-L686 PolarHBondContact O-N 3.39Å; T682-Y742 HydrophobicContact CG2-CE1 4.26Å; T682-Y742 WeakPolarHBondContact OG1-CE1 3.1Å; T682-Y742 PolarHBondContact OG1-OH 3.43Å
683P88.4Confident72.5Confident16 Ų1634.9 Ų34.910%0.10418%0.181CC..Hα-helixtrans-61.3-43.8176.3-24.135.2000112.8V578 L685 L686 F687V578-P683 HydrophobicContact CG1-CB 4.45Å; P683-L685 VanDerWaalsContact C-N 3.35Å; P683-L685 PolarHBondContact O-N 2.87Å; P683-L686 PolarHBondContact O-N 2.97Å; P683-F687 WeakPolarHBondContact O-CD2 3.3Å; P683-F687 PolarHBondContact O-N 3.14Å
684Q88.3Confident75.3Confident17 Ų1729.5 Ų29.58%0.07916%0.16CC..Hα-helixtrans-64.2-40.2-179.8-68.6795.300111.5F642 F681 T682 F687 L688 L731F642-Q684 HydrophobicContact CD1-CG 4.37Å; F642-Q684 HydrophobicContact CE1-CB 3.9Å; F642-Q684 HydrophobicContact CE1-CG 4.21Å; F681-Q684 VanDerWaalsContact CA-OE1 3.27Å; F681-Q684 PolarHBondContact O-N 3.48Å; F681-Q684 PolarHBondContact O-OE1 3.01Å; T682-Q684 PolarHBondContact O-N 3.1Å; Q684-F687 PolarHBondContact O-N 3.1Å; Q684-L688 VanDerWaalsContact O-CB 3.27Å; Q684-L688 WeakPolarHBondContact O-CB 3.49Å; Q684-L688 PolarHBondContact O-N 3.1Å; Q684-L731 HydrophobicContact CB-CD2 4.33Å
685L89.6Confident77.8Confident0 Ų026.8 Ų26.80%015%0.146CC..Hα-helixtrans-64.9-38.1174.2-77.7170.1000112.3F681 T682 P683 L688 Y689 L731 Y734 A735 Y742 L745 L749F681-L685 WeakPolarHBondContact O-CB 3.23Å; F681-L685 WeakPolarHBondContact O-CG 3.26Å; F681-L685 PolarHBondContact O-N 3.04Å; T682-L685 PolarHBondContact O-N 3.08Å; P683-L685 VanDerWaalsContact C-N 3.35Å; P683-L685 PolarHBondContact O-N 2.87Å; L685-L688 WeakPolarHBondContact O-CB 3.5Å; L685-L688 PolarHBondContact O-N 2.88Å; L685-Y689 VanDerWaalsContact O-CB 3.32Å; L685-Y689 WeakPolarHBondContact O-CB 3.32Å; L685-Y689 PolarHBondContact O-N 2.97Å; L685-L731 HydrophobicContact CD2-CB 3.92Å; L685-Y734 HydrophobicContact CD1-CD1 4.09Å; L685-Y734 HydrophobicContact CD1-CE1 4.44Å; L685-A735 HydrophobicContact CD1-CB 4.04Å; L685-A735 HydrophobicContact CD2-CB 4.02Å; L685-Y742 HydrophobicContact CD1-CD1 3.99Å; L685-Y742 HydrophobicContact CD1-CD2 4.31Å; L685-Y742 HydrophobicContact CD1-CE1 3.56Å; L685-Y742 HydrophobicContact CD1-CE2 3.88Å; L685-Y742 HydrophobicContact CD1-CG 4.36Å; L685-Y742 VanDerWaalsContact CD1-CZ 3.5Å; L685-L745 HydrophobicContact CB-CD2 3.96Å; L685-L749 HydrophobicContact CD2-CD2 4.04Å
686L90.8Very high80.4Confident0 Ų025.2 Ų25.20%013%0.133CC..Hα-helixtrans-70.3-40.2175.9-76.1172.6000112.5V578 S581 I585 L589 L593 T682 P683 L688 Y689 Y690 L745V578-L686 HydrophobicContact CG1-CB 3.66Å; V578-L686 HydrophobicContact CG1-CD1 4.1Å; S581-L686 WeakPolarHBondContact OG-CD1 3.33Å; I585-L686 HydrophobicContact CD1-CD2 3.7Å; I585-L686 HydrophobicContact CD1-CG 4.21Å; L589-L686 HydrophobicContact CB-CD2 4.27Å; L589-L686 HydrophobicContact CD1-CD1 4.05Å; L593-L686 HydrophobicContact CD1-CB 4.27Å; L593-L686 HydrophobicContact CD1-CD2 3.85Å; T682-L686 HydrophobicContact CG2-CD1 4.12Å; T682-L686 WeakPolarHBondContact O-CG 3.46Å; T682-L686 PolarHBondContact O-N 3.39Å; P683-L686 PolarHBondContact O-N 2.97Å; L686-L688 VanDerWaalsContact C-N 3.33Å; L686-Y689 PolarHBondContact O-N 2.85Å; L686-Y690 VanDerWaalsContact O-CB 3.3Å; L686-Y690 WeakPolarHBondContact O-CB 3.43Å; L686-Y690 PolarHBondContact O-N 3.17Å; L686-L745 HydrophobicContact CD2-CD1 4.31Å
687F92Very high82.5Confident1 Ų124.7 Ų24.70%0.00412%0.123CC..Hα-helixtrans-65.4-38.1172.7-77.4-63.9000111.8I575 V578 R579 I633 E641 F642 P683 Q684 Y690 A691I575-F687 HydrophobicContact CG2-CZ 4.26Å; V578-F687 HydrophobicContact CB-CE2 4.33Å; V578-F687 HydrophobicContact CB-CZ 4.09Å; V578-F687 HydrophobicContact CG1-CD1 4.43Å; V578-F687 HydrophobicContact CG1-CD2 3.84Å; V578-F687 HydrophobicContact CG1-CE1 4.19Å; V578-F687 HydrophobicContact CG1-CE2 3.54Å; V578-F687 HydrophobicContact CG1-CG 4.26Å; V578-F687 HydrophobicContact CG1-CZ 3.73Å; R579-F687 HydrophobicContact CG-CE2 4.34Å; R579-F687 HydrophobicContact CG-CZ 4.45Å; I633-F687 HydrophobicContact CD1-CD1 4.42Å; I633-F687 HydrophobicContact CD1-CE1 4.08Å; E641-F687 HydrophobicContact CB-CD2 4.04Å; E641-F687 HydrophobicContact CB-CE2 4.23Å; E641-F687 HydrophobicContact CG-CD2 3.74Å; E641-F687 HydrophobicContact CG-CE1 4.35Å; E641-F687 HydrophobicContact CG-CE2 3.48Å; E641-F687 VanDerWaalsContact CG-CE2 3.48Å; E641-F687 HydrophobicContact CG-CG 4.32Å; E641-F687 HydrophobicContact CG-CZ 3.82Å; F642-F687 HydrophobicContact CE2-CB 4.46Å; F642-F687 HydrophobicContact CZ-CB 4.38Å; P683-F687 WeakPolarHBondContact O-CD2 3.3Å; P683-F687 PolarHBondContact O-N 3.14Å; Q684-F687 PolarHBondContact O-N 3.1Å; F687-Y690 PolarHBondContact O-N 3.47Å; F687-A691 WeakPolarHBondContact O-CB 3.36Å; F687-A691 PolarHBondContact O-N 3.44Å
688L90.5Very high84.4Confident0 Ų020.4 Ų20.40%010%0.096CC..Hα-helixtrans-60.7-50.8172.7-177.860.1000111.1F642 Q684 L685 L686 Y690 A691 F692 I726 I728 L731 L749F642-L688 HydrophobicContact CZ-CB 4.49Å; Q684-L688 VanDerWaalsContact O-CB 3.27Å; Q684-L688 WeakPolarHBondContact O-CB 3.49Å; Q684-L688 PolarHBondContact O-N 3.1Å; L685-L688 WeakPolarHBondContact O-CB 3.5Å; L685-L688 PolarHBondContact O-N 2.88Å; L686-L688 VanDerWaalsContact C-N 3.33Å; L688-Y690 VanDerWaalsContact C-N 3.32Å; L688-Y690 PolarHBondContact O-N 2.92Å; L688-A691 PolarHBondContact O-N 3.09Å; L688-F692 HydrophobicContact CD1-CD2 3.65Å; L688-F692 HydrophobicContact CD1-CE2 3.45Å; L688-F692 VanDerWaalsContact CD1-CE2 3.45Å; L688-F692 HydrophobicContact CG-CD2 3.86Å; L688-F692 HydrophobicContact CG-CE2 3.97Å; L688-F692 WeakPolarHBondContact O-CD2 2.97Å; L688-F692 PolarHBondContact O-N 2.91Å; L688-I726 HydrophobicContact CD1-CG2 3.69Å; L688-I728 HydrophobicContact CD1-CG1 4.31Å; L688-L731 HydrophobicContact CD2-CB 3.97Å; L688-L731 HydrophobicContact CD2-CD1 3.83Å; L688-L749 HydrophobicContact CD2-CD1 4.24Å; L688-L749 HydrophobicContact CD2-CD2 4.13Å; L688-L749 HydrophobicContact CG-CD1 4.09Å
689Y92.9Very high85.9Confident4 Ų414.2 Ų14.22%0.0167%0.066CC..Hα-helixtrans-59.5-42.9177177.8-106000112P590 L593 E594 L685 L686 F692 F693 L745 K748 L749 L752P590-Y689 HydrophobicContact CB-CE1 4.04Å; L593-Y689 HydrophobicContact CD1-CD1 4.07Å; E594-Y689 HydrophobicContact CG-CE1 4.4Å; E594-Y689 PolarHBondContact OE1-OH 2.64Å; L685-Y689 VanDerWaalsContact O-CB 3.32Å; L685-Y689 WeakPolarHBondContact O-CB 3.32Å; L685-Y689 PolarHBondContact O-N 2.97Å; L686-Y689 PolarHBondContact O-N 2.85Å; Y689-F692 PolarHBondContact O-N 3.15Å; Y689-F693 VanDerWaalsContact O-CB 3.3Å; Y689-F693 WeakPolarHBondContact O-CB 3.35Å; Y689-F693 PolarHBondContact O-N 2.87Å; Y689-L745 HydrophobicContact CD1-CD1 3.84Å; Y689-L745 HydrophobicContact CD2-CD1 3.87Å; Y689-L745 HydrophobicContact CE1-CD1 4.43Å; Y689-L745 HydrophobicContact CE2-CD1 4.47Å; Y689-L745 HydrophobicContact CG-CD1 3.53Å; Y689-K748 HydrophobicContact CE2-CB 3.82Å; Y689-K748 HydrophobicContact CE2-CD 4.46Å; Y689-L749 HydrophobicContact CD2-CB 4.42Å; Y689-L749 HydrophobicContact CD2-CD1 4.39Å; Y689-L752 HydrophobicContact CD2-CD1 3.88Å; Y689-L752 HydrophobicContact CE2-CD1 3.56Å
690Y92.1Very high86.7Confident1 Ų115.8 Ų15.80%0.0048%0.076CC..Hα-helixtrans-58.5-50.1174.8175.9-90000111.7L593 H596 I597 L632 I633 I638 L686 F687 L688 F692 F693 V694 Y718L593-Y690 HydrophobicContact CB-CD2 4.46Å; L593-Y690 HydrophobicContact CD2-CD2 4Å; H596-Y690 AromaticContact ND1-CE2 3.91Å; I597-Y690 HydrophobicContact CD1-CD2 3.57Å; I597-Y690 HydrophobicContact CD1-CE2 3.68Å; I597-Y690 HydrophobicContact CD1-CG 4.32Å; I597-Y690 HydrophobicContact CG1-CD2 3.9Å; I597-Y690 HydrophobicContact CG1-CE2 3.46Å; I597-Y690 VanDerWaalsContact CG1-CE2 3.46Å; L632-Y690 WeakPolarHBondContact CD2-OH 3.45Å; I633-Y690 HydrophobicContact CB-CD1 4.39Å; I633-Y690 HydrophobicContact CB-CE1 3.58Å; I633-Y690 HydrophobicContact CD1-CD1 3.95Å; I633-Y690 HydrophobicContact CD1-CD2 4.19Å; I633-Y690 HydrophobicContact CD1-CE1 3.69Å; I633-Y690 HydrophobicContact CD1-CE2 3.95Å; I633-Y690 HydrophobicContact CD1-CG 4.2Å; I633-Y690 HydrophobicContact CG1-CD1 4.48Å; I633-Y690 HydrophobicContact CG1-CE1 3.75Å; I633-Y690 HydrophobicContact CG1-CE2 4.29Å; I633-Y690 PolarHBondContact N-OH 3Å; I638-Y690 HydrophobicContact CD1-CD1 4.49Å; L686-Y690 VanDerWaalsContact O-CB 3.3Å; L686-Y690 WeakPolarHBondContact O-CB 3.43Å; L686-Y690 PolarHBondContact O-N 3.17Å; F687-Y690 PolarHBondContact O-N 3.47Å; L688-Y690 VanDerWaalsContact C-N 3.32Å; L688-Y690 PolarHBondContact O-N 2.92Å; Y690-F692 VanDerWaalsContact C-N 3.33Å; Y690-F692 PolarHBondContact O-N 3.27Å; Y690-F693 PolarHBondContact O-N 3.34Å; Y690-V694 HydrophobicContact CD1-CG2 4.21Å; Y690-V694 HydrophobicContact CE1-CG2 3.78Å; Y690-V694 HydrophobicContact CE2-CG2 4.15Å; Y690-V694 WeakPolarHBondContact O-CG2 3.47Å; Y690-V694 PolarHBondContact O-N 2.83Å; Y690-Y718 VanDerWaalsContact CE1-OH 3.3Å; Y690-Y718 WeakPolarHBondContact CE1-OH 3.33Å
691A89.8Confident87Confident0 Ų017 Ų170%08%0.082CC..Hα-helixtrans-60.2-44179.800000111.7I638 F687 L688 F695 Y718 W723I638-A691 HydrophobicContact CD1-CB 4.34Å; F687-A691 WeakPolarHBondContact O-CB 3.36Å; F687-A691 PolarHBondContact O-N 3.44Å; L688-A691 PolarHBondContact O-N 3.09Å; A691-F695 WeakPolarHBondContact O-CB 3.47Å; A691-F695 PolarHBondContact O-N 3.42Å; A691-F695 VanDerWaalsContact O-N 3.08Å; A691-Y718 HydrophobicContact CB-CE2 4.49Å; A691-W723 HydrophobicContact CB-CH2 4.02Å; A691-W723 HydrophobicContact CB-CZ3 4.36Å
692F90.7Very high86.5Confident0 Ų017.8 Ų17.80%09%0.085CC..Hα-helixtrans-65.4-41.9176.3-90.2-64.6000113.3L688 Y689 Y690 F695 D696 W723 I728 L749 L752 V753 F757L688-F692 HydrophobicContact CD1-CD2 3.65Å; L688-F692 HydrophobicContact CD1-CE2 3.45Å; L688-F692 VanDerWaalsContact CD1-CE2 3.45Å; L688-F692 HydrophobicContact CG-CD2 3.86Å; L688-F692 HydrophobicContact CG-CE2 3.97Å; L688-F692 WeakPolarHBondContact O-CD2 2.97Å; L688-F692 PolarHBondContact O-N 2.91Å; Y689-F692 PolarHBondContact O-N 3.15Å; Y690-F692 VanDerWaalsContact C-N 3.33Å; Y690-F692 PolarHBondContact O-N 3.27Å; F692-F695 WeakPolarHBondContact O-CB 3.4Å; F692-F695 PolarHBondContact O-N 2.77Å; F692-D696 WeakPolarHBondContact O-CB 3.22Å; F692-D696 PolarHBondContact O-N 3.4Å; F692-W723 AromaticContact CD1-CH2 3.87Å; F692-W723 HydrophobicContact CD1-CH2 3.87Å; F692-W723 HydrophobicContact CD1-CZ3 4.04Å; F692-W723 HydrophobicContact CD2-CH2 4.33Å; F692-W723 AromaticContact CD2-CZ3 3.94Å; F692-W723 HydrophobicContact CD2-CZ3 3.94Å; F692-W723 HydrophobicContact CE1-CE3 4.4Å; F692-W723 AromaticContact CE1-CH2 3.96Å; F692-W723 HydrophobicContact CE1-CH2 3.96Å; F692-W723 AromaticContact CE1-CZ3 3.78Å; F692-W723 HydrophobicContact CE1-CZ3 3.78Å; F692-W723 HydrophobicContact CE2-CE3 4.39Å; F692-W723 HydrophobicContact CE2-CH2 4.42Å; F692-W723 AromaticContact CE2-CZ3 3.67Å; F692-W723 HydrophobicContact CE2-CZ3 3.67Å; F692-W723 HydrophobicContact CG-CH2 4.05Å; F692-W723 HydrophobicContact CG-CZ3 4.1Å; F692-W723 HydrophobicContact CZ-CE3 4.04Å; F692-W723 HydrophobicContact CZ-CH2 4.23Å; F692-W723 AromaticContact CZ-CZ3 3.57Å; F692-W723 HydrophobicContact CZ-CZ3 3.57Å; F692-I728 HydrophobicContact CE2-CD1 4.39Å; F692-I728 HydrophobicContact CE2-CG1 4.3Å; F692-I728 HydrophobicContact CE2-CG2 4.22Å; F692-I728 HydrophobicContact CZ-CD1 4Å; F692-I728 HydrophobicContact CZ-CG1 4.39Å; F692-I728 HydrophobicContact CZ-CG2 4.35Å; F692-L749 HydrophobicContact CD2-CD1 4.02Å; F692-L752 HydrophobicContact CB-CB 4.12Å; F692-L752 HydrophobicContact CB-CD1 3.99Å; F692-L752 HydrophobicContact CD1-CB 4.48Å; F692-L752 HydrophobicContact CG-CB 4.45Å; F692-V753 HydrophobicContact CD2-CG2 4.21Å; F692-V753 HydrophobicContact CE1-CG2 4.23Å; F692-V753 HydrophobicContact CE2-CG2 3.69Å; F692-V753 HydrophobicContact CZ-CG2 3.72Å; F692-F757 HydrophobicContact CD1-CE2 4.47Å; F692-F757 AromaticContact CE1-CD2 3.46Å; F692-F757 HydrophobicContact CE1-CD2 3.46Å; F692-F757 VanDerWaalsContact CE1-CD2 3.46Å; F692-F757 AromaticContact CE1-CE2 3.46Å; F692-F757 HydrophobicContact CE1-CE2 3.46Å; F692-F757 VanDerWaalsContact CE1-CE2 3.46Å; F692-F757 AromaticContact CZ-CD2 3.87Å; F692-F757 HydrophobicContact CZ-CD2 3.87Å; F692-F757 HydrophobicContact CZ-CE2 4.01Å
693F89.9Confident85.8Confident29 Ų2921.6 Ų21.613%0.12711%0.105CC..Hα-helixtrans-70.8-36.5179.5-169.1-88.2000112E594 I597 Y689 Y690 F695 D696 Y697 L752E594-F693 HydrophobicContact CB-CE1 4Å; E594-F693 HydrophobicContact CB-CZ 3.91Å; E594-F693 HydrophobicContact CG-CD1 4.34Å; E594-F693 HydrophobicContact CG-CD2 4.09Å; E594-F693 HydrophobicContact CG-CE1 3.95Å; E594-F693 HydrophobicContact CG-CE2 3.7Å; E594-F693 HydrophobicContact CG-CG 4.38Å; E594-F693 HydrophobicContact CG-CZ 3.61Å; I597-F693 HydrophobicContact CB-CD1 4.12Å; I597-F693 HydrophobicContact CB-CE1 4.27Å; I597-F693 HydrophobicContact CD1-CB 4.02Å; I597-F693 HydrophobicContact CD1-CD1 3.41Å; I597-F693 VanDerWaalsContact CD1-CD1 3.41Å; I597-F693 HydrophobicContact CD1-CE1 4.3Å; I597-F693 HydrophobicContact CD1-CG 4.13Å; I597-F693 HydrophobicContact CG1-CD1 4.36Å; I597-F693 HydrophobicContact CG2-CD1 4.03Å; I597-F693 HydrophobicContact CG2-CE1 4.23Å; Y689-F693 VanDerWaalsContact O-CB 3.3Å; Y689-F693 WeakPolarHBondContact O-CB 3.35Å; Y689-F693 PolarHBondContact O-N 2.87Å; Y690-F693 PolarHBondContact O-N 3.34Å; F693-F695 VanDerWaalsContact C-N 3.32Å; F693-D696 PolarHBondContact O-N 3.29Å; F693-Y697 HydrophobicContact CE1-CD2 4.31Å; F693-Y697 WeakPolarHBondContact O-CB 3.4Å; F693-Y697 PolarHBondContact O-N 3.43Å; F693-L752 HydrophobicContact CB-CD1 4.36Å; F693-L752 HydrophobicContact CD2-CD1 4.49Å
694V87.7Confident84.9Confident0 Ų026.2 Ų26.20%013%0.133CC..Hα-helixtrans-60-46.2171.3170.20000110.2I597 F601 L632 Y690 Q698 Y718I597-V694 HydrophobicContact CD1-CG2 3.61Å; I597-V694 HydrophobicContact CG1-CG2 3.7Å; I597-V694 HydrophobicContact CG2-CG2 4.01Å; F601-V694 HydrophobicContact CE2-CG1 4.46Å; F601-V694 HydrophobicContact CZ-CG1 4.36Å; L632-V694 HydrophobicContact CD1-CG1 4.43Å; L632-V694 HydrophobicContact CD2-CG2 4.35Å; Y690-V694 HydrophobicContact CD1-CG2 4.21Å; Y690-V694 HydrophobicContact CE1-CG2 3.78Å; Y690-V694 HydrophobicContact CE2-CG2 4.15Å; Y690-V694 WeakPolarHBondContact O-CG2 3.47Å; Y690-V694 PolarHBondContact O-N 2.83Å; V694-Q698 VanDerWaalsContact O-CB 3.31Å; V694-Q698 WeakPolarHBondContact O-CB 3.34Å; V694-Q698 PolarHBondContact O-N 3.44Å; V694-Y718 HydrophobicContact CB-CE2 3.89Å; V694-Y718 HydrophobicContact CG1-CD2 4.41Å; V694-Y718 HydrophobicContact CG1-CE2 3.69Å; V694-Y718 HydrophobicContact CG2-CE2 4.37Å
695F84.9Confident83.9Confident20 Ų2029.1 Ų29.19%0.08815%0.152CC..Hα-helixtrans-59.7-50.1178.1-177.2-109.7000111.6A691 F692 F693 Q698 F699 C716 W723 H756 H1034A691-F695 WeakPolarHBondContact O-CB 3.47Å; A691-F695 PolarHBondContact O-N 3.42Å; A691-F695 VanDerWaalsContact O-N 3.08Å; F692-F695 WeakPolarHBondContact O-CB 3.4Å; F692-F695 PolarHBondContact O-N 2.77Å; F693-F695 VanDerWaalsContact C-N 3.32Å; F695-Q698 PolarHBondContact O-N 3.47Å; F695-F699 WeakPolarHBondContact O-CB 3.47Å; F695-F699 PolarHBondContact O-N 2.87Å; F695-C716 HydrophobicContact CD2-CB 4.31Å; F695-C716 VanDerWaalsContact CD2-SG 3.52Å; F695-C716 HydrophobicContact CE2-CB 4.3Å; F695-W723 HydrophobicContact CB-CZ2 4.19Å; F695-W723 HydrophobicContact CG-CZ2 4.24Å; F695-H756 HydrophobicContact CD1-CB 4.18Å; F695-H756 AromaticContact CD1-CD2 3.93Å; F695-H756 AromaticContact CD1-CG 3.67Å; F695-H756 AromaticContact CD1-ND1 3.76Å; F695-H756 HydrophobicContact CE1-CB 3.87Å; F695-H756 AromaticContact CE1-CG 3.58Å; F695-H756 AromaticContact CE1-ND1 3.39Å; F695-H756 WeakPolarHBondContact CE1-ND1 3.47Å; F695-H1034 AromaticContact CE1-CE1 3.29Å; F695-H1034 WeakPolarHBondContact CE1-CE1 3.04Å; F695-H1034 AromaticContact CE1-ND1 3.87Å; F695-H1034 AromaticContact CE1-NE2 3.85Å; F695-H1034 AromaticContact CZ-CE1 3.38Å; F695-H1034 WeakPolarHBondContact CZ-CE1 3.2Å; F695-H1034 AromaticContact CZ-ND1 3.47Å; F695-H1034 WeakPolarHBondContact CZ-ND1 3.48Å; F695-H1034 AromaticContact CZ-NE2 3.98Å
696D87.5Confident82.7Confident24 Ų2434.8 Ų34.813%0.12818%0.182CC..Hα-helixtrans-62.8-45.4178.4-176.377.7000112.9F692 F693 Q698 F699 N700 L752 H756F692-D696 WeakPolarHBondContact O-CB 3.22Å; F692-D696 PolarHBondContact O-N 3.4Å; F693-D696 PolarHBondContact O-N 3.29Å; D696-Q698 VanDerWaalsContact C-N 3.35Å; D696-Q698 PolarHBondContact O-N 2.99Å; D696-F699 WeakPolarHBondContact O-CB 3.43Å; D696-F699 PolarHBondContact O-N 2.83Å; D696-N700 VanDerWaalsContact CG-ND2 3.27Å; D696-N700 WeakPolarHBondContact O-CB 3.28Å; D696-N700 PolarHBondContact O-N 3.4Å; D696-N700 PolarHBondContact O-ND2 3.14Å; D696-N700 PolarHBondContact OD1-ND2 3.38Å; D696-N700 PolarHBondContact OD2-ND2 2.89Å; D696-L752 HydrophobicContact CB-CD2 3.54Å; D696-H756 WeakPolarHBondContact CB-NE2 3.33Å; D696-H756 IonicContact OD1-CD2 3.72Å; D696-H756 IonicContact OD1-CE1 3.67Å; D696-H756 IonicContact OD1-NE2 3.99Å; D696-H756 PolarHBondContact OD1-NE2 3.5Å
697Y84.5Confident81.4Confident55 Ų5541.3 Ų41.322%0.21621%0.207CC..Hα-helixtrans-62.9-42.7178.8-173.5-90.4000111.5I597 T598 F601 F693 L701I597-Y697 HydrophobicContact CG2-CD1 4.36Å; I597-Y697 HydrophobicContact CG2-CG 4.27Å; T598-Y697 HydrophobicContact CG2-CD2 4.23Å; T598-Y697 HydrophobicContact CG2-CE2 3.59Å; F601-Y697 HydrophobicContact CB-CD1 4.44Å; F601-Y697 HydrophobicContact CB-CE1 3.69Å; F601-Y697 AromaticContact CD2-CD1 3.28Å; F601-Y697 HydrophobicContact CD2-CD1 3.28Å; F601-Y697 AromaticContact CD2-CE1 3.41Å; F601-Y697 HydrophobicContact CD2-CE1 3.41Å; F601-Y697 VanDerWaalsContact CD2-CE1 3.41Å; F601-Y697 HydrophobicContact CD2-CG 4.4Å; F601-Y697 AromaticContact CE2-CD1 3.57Å; F601-Y697 HydrophobicContact CE2-CD1 3.57Å; F601-Y697 HydrophobicContact CE2-CE1 4.17Å; F601-Y697 HydrophobicContact CE2-CG 4.5Å; F601-Y697 AromaticContact CG-CD1 3.92Å; F601-Y697 HydrophobicContact CG-CD1 3.92Å; F601-Y697 AromaticContact CG-CE1 3.65Å; F601-Y697 HydrophobicContact CG-CE1 3.65Å; F601-Y697 HydrophobicContact CZ-CD1 4.38Å; F693-Y697 HydrophobicContact CE1-CD2 4.31Å; F693-Y697 WeakPolarHBondContact O-CB 3.4Å; F693-Y697 PolarHBondContact O-N 3.43Å; Y697-L701 HydrophobicContact CE1-CD2 4.44Å; Y697-L701 WeakPolarHBondContact O-CB 3.36Å; Y697-L701 PolarHBondContact O-N 3.4Å
698Q80.2Confident80.1Confident18 Ų1843.4 Ų43.48%0.08422%0.217CC..Hα-helixtrans-63.4-43.1175.8-177.817311.700111.4F601 V694 F695 D696 L701 R702F601-Q698 HydrophobicContact CZ-CB 4.23Å; V694-Q698 VanDerWaalsContact O-CB 3.31Å; V694-Q698 WeakPolarHBondContact O-CB 3.34Å; V694-Q698 PolarHBondContact O-N 3.44Å; F695-Q698 PolarHBondContact O-N 3.47Å; D696-Q698 VanDerWaalsContact C-N 3.35Å; D696-Q698 PolarHBondContact O-N 2.99Å; Q698-L701 PolarHBondContact O-N 3.39Å; Q698-R702 PolarHBondContact O-N 2.82Å
699F79.6Confident78.7Confident32 Ų3246 Ų4614%0.1423%0.226CC..Hα-helixtrans-61.7-50.6177.4-173.1-98.4000111.6F695 D696 L701 R702 L703 H1034 V1037F695-F699 WeakPolarHBondContact O-CB 3.47Å; F695-F699 PolarHBondContact O-N 2.87Å; D696-F699 WeakPolarHBondContact O-CB 3.43Å; D696-F699 PolarHBondContact O-N 2.83Å; F699-L701 PolarHBondContact O-N 2.82Å; F699-R702 PolarHBondContact O-N 3.45Å; F699-L703 HydrophobicContact CD1-CD1 3.77Å; F699-L703 HydrophobicContact CE1-CD1 3.48Å; F699-L703 VanDerWaalsContact CE1-CD1 3.48Å; F699-L703 HydrophobicContact CE1-CG 4.32Å; F699-L703 HydrophobicContact CZ-CD1 4.25Å; F699-L703 PolarHBondContact O-N 2.94Å; F699-L703 VanDerWaalsContact O-N 3.12Å; F699-H1034 AromaticContact CD2-ND1 3.72Å; F699-H1034 AromaticContact CE2-ND1 3.5Å; F699-H1034 WeakPolarHBondContact CE2-ND1 3.48Å; F699-V1037 HydrophobicContact CD2-CB 4.25Å; F699-V1037 HydrophobicContact CD2-CG1 4.14Å; F699-V1037 HydrophobicContact CD2-CG2 4.45Å; F699-V1037 HydrophobicContact CE1-CG2 4.46Å; F699-V1037 HydrophobicContact CE2-CB 3.61Å; F699-V1037 HydrophobicContact CE2-CG1 3.96Å; F699-V1037 HydrophobicContact CE2-CG2 3.49Å; F699-V1037 VanDerWaalsContact CE2-CG2 3.49Å; F699-V1037 HydrophobicContact CZ-CB 4.17Å; F699-V1037 HydrophobicContact CZ-CG2 3.51Å
700N79.8Confident77.1Confident66 Ų6649.8 Ų49.835%0.35325%0.247SC..Hα-helixtrans-65.3-36178.2-75.2-40.7000112.9D696 R702 L703 T704D696-N700 VanDerWaalsContact CG-ND2 3.27Å; D696-N700 WeakPolarHBondContact O-CB 3.28Å; D696-N700 PolarHBondContact O-N 3.4Å; D696-N700 PolarHBondContact O-ND2 3.14Å; D696-N700 PolarHBondContact OD1-ND2 3.38Å; D696-N700 PolarHBondContact OD2-ND2 2.89Å; N700-R702 VanDerWaalsContact C-N 3.3Å; N700-R702 PolarHBondContact O-N 3.34Å; N700-L703 PolarHBondContact O-N 3.06Å; N700-T704 WeakPolarHBondContact O-CB 3.47Å; N700-T704 WeakPolarHBondContact O-CG2 3.35Å; N700-T704 PolarHBondContact O-N 2.73Å; N700-T704 PolarHBondContact O-OG1 3.36Å
701L77.2Confident75.3Confident67 Ų6752.7 Ų52.735%0.35127%0.266SS..Hα-helixtrans-62.5-38.1174.9-174.367.5000111.4Y697 Q698 F699 T704 T705Y697-L701 HydrophobicContact CE1-CD2 4.44Å; Y697-L701 WeakPolarHBondContact O-CB 3.36Å; Y697-L701 PolarHBondContact O-N 3.4Å; Q698-L701 PolarHBondContact O-N 3.39Å; F699-L701 PolarHBondContact O-N 2.82Å; L701-T704 WeakPolarHBondContact CA-OG1 3.47Å; L701-T704 PolarHBondContact O-OG1 3.36Å; L701-T704 VanDerWaalsContact O-OG1 3.12Å; L701-T705 HydrophobicContact CD1-CG2 4.25Å; L701-T705 WeakPolarHBondContact O-CB 3.49Å; L701-T705 VanDerWaalsContact O-CG2 3.3Å; L701-T705 WeakPolarHBondContact O-CG2 3.17Å; L701-T705 PolarHBondContact O-N 3.12Å; L701-T705 VanDerWaalsContact O-N 3.1Å; L701-T705 PolarHBondContact O-OG1 3.26Å
702R72.6Confident73.7Confident23 Ų2359.2 Ų59.29%0.08730%0.3CS..Hα-helixtrans-69-43.4176-73.4-174-176.2132.42.8112.7Q698 F699 N700 T705 N706 R707 P714 S715 V1037 D1038Q698-R702 PolarHBondContact O-N 2.82Å; F699-R702 PolarHBondContact O-N 3.45Å; N700-R702 VanDerWaalsContact C-N 3.3Å; N700-R702 PolarHBondContact O-N 3.34Å; R702-T705 PolarHBondContact O-N 3.5Å; R702-T705 PolarHBondContact O-OG1 3.32Å; R702-N706 PolarHBondContact O-N 3.13Å; R702-R707 PolarHBondContact O-N 3.28Å; R702-P714 PolarHBondContact NH2-O 3.24Å; R702-S715 PolarHBondContact NH1-O 3.07Å; R702-S715 PolarHBondContact NH2-O 3.08Å; R702-V1037 HydrophobicContact CB-CG1 3.93Å; R702-D1038 IonicContact CZ-OD1 2.79Å; R702-D1038 IonicContact NH1-OD1 2.83Å; R702-D1038 PolarHBondContact NH1-OD1 3.38Å
703L72.6Confident72Confident80 Ų8061 Ų6142%0.41931%0.309SS..Hα-helixtrans-58.7-49.9176.2-73.6174.8000111.4F699 N700 T705 N706 V1037F699-L703 HydrophobicContact CD1-CD1 3.77Å; F699-L703 HydrophobicContact CE1-CD1 3.48Å; F699-L703 VanDerWaalsContact CE1-CD1 3.48Å; F699-L703 HydrophobicContact CE1-CG 4.32Å; F699-L703 HydrophobicContact CZ-CD1 4.25Å; F699-L703 PolarHBondContact O-N 2.94Å; F699-L703 VanDerWaalsContact O-N 3.12Å; N700-L703 PolarHBondContact O-N 3.06Å; L703-T705 PolarHBondContact O-N 2.76Å; L703-N706 PolarHBondContact O-N 3.17Å; L703-V1037 HydrophobicContact CD2-CG1 4.17Å; L703-V1037 HydrophobicContact CD2-CG2 3.62Å; L703-V1037 HydrophobicContact CG-CG1 4.27Å; L703-V1037 HydrophobicContact CG-CG2 4.31Å
704T70.4Confident70.5Confident113 Ų11362.3 Ų62.369%0.69332%0.32SS*.Hα-helixtrans-68.3-33.2-177.651.40000113.5N700 L701N700-T704 WeakPolarHBondContact O-CB 3.47Å; N700-T704 WeakPolarHBondContact O-CG2 3.35Å; N700-T704 PolarHBondContact O-N 2.73Å; N700-T704 PolarHBondContact O-OG1 3.36Å; L701-T704 WeakPolarHBondContact CA-OG1 3.47Å; L701-T704 PolarHBondContact O-OG1 3.36Å; L701-T704 VanDerWaalsContact O-OG1 3.12Å
705T67.6Low69.2Low79 Ų7964.2 Ų64.249%0.48533%0.333SS..Hα-helixtrans-86.9-6.4179.157.10000113.7L701 R702 L703 R707L701-T705 HydrophobicContact CD1-CG2 4.25Å; L701-T705 WeakPolarHBondContact O-CB 3.49Å; L701-T705 VanDerWaalsContact O-CG2 3.3Å; L701-T705 WeakPolarHBondContact O-CG2 3.17Å; L701-T705 PolarHBondContact O-N 3.12Å; L701-T705 VanDerWaalsContact O-N 3.1Å; L701-T705 PolarHBondContact O-OG1 3.26Å; R702-T705 PolarHBondContact O-N 3.5Å; R702-T705 PolarHBondContact O-OG1 3.32Å; L703-T705 PolarHBondContact O-N 2.76Å; T705-R707 PolarHBondContact O-N 3.45Å; T705-R707 WeakPolarHBondContact OG1-CB 3.24Å
706N64Low68.3Low119 Ų11963.7 Ų63.764%0.63633%0.332SS*.THydrogen-bonded Turntrans47.330.5-170.4-93.6-33.2000112.8R702 L703R702-N706 PolarHBondContact O-N 3.13Å; L703-N706 PolarHBondContact O-N 3.17Å
707R62.6Low67.4Low137 Ų13764 Ų6452%0.51734%0.335SS..PPolyproline II helixtrans-91.7116.1-174.2-176.8179.3164.7-176.9-8.6109.9R702 T705 E713R702-R707 PolarHBondContact O-N 3.28Å; T705-R707 PolarHBondContact O-N 3.45Å; T705-R707 WeakPolarHBondContact OG1-CB 3.24Å; R707-E713 IonicContact NH2-OE2 2.68Å
708H65.4Low67.1Low44 Ų4461.5 Ų61.520%0.20433%0.325CS..PPolyproline II helixtrans-72.8152.9172.3-63.3-59.8000112.4Q1041 N1174H708-Q1041 HydrophobicContact CB-CB 4.38Å; H708-Q1041 HydrophobicContact CB-CG 3.72Å; H708-N1174 PolarHBondContact CE1-OD1 3.11Å; H708-N1174 PolarHBondContact NE2-ND2 2.89Å; H708-N1174 PolarHBondContact NE2-OD1 3.26Å
709R60.7Low66.7Low55 Ų5562.6 Ų62.621%0.20834%0.335CS..BIsolated β-bridgetrans-68.9135.3-179.3-172.9-179.8168.2-167.1-5.1110.1E713 S715 D1038 R1039 V1040 Q1041R709-E713 HydrophobicContact CG-CB 4.22Å; R709-E713 PolarHBondContact NE-O 3.29Å; R709-E713 PolarHBondContact NH2-O 2.95Å; R709-S715 VanDerWaalsContact NH1-CB 3.3Å; R709-S715 VanDerWaalsContact NH2-N 3.12Å; R709-D1038 WeakPolarHBondContact CD-O 3.33Å; R709-R1039 WeakPolarHBondContact CB-O 3.15Å; R709-R1039 PolarHBondContact N-O 3.4Å; R709-V1040 HydrophobicContact CB-CG2 4.18Å; R709-V1040 HydrophobicContact CG-CG2 4.13Å; R709-V1040 CarbonylContact O-C 3.07Å; R709-V1040 VanDerWaalsContact O-CA 3.23Å; R709-V1040 WeakPolarHBondContact O-CA 3.26Å; R709-Q1041 PolarHBondContact O-N 3.5Å
710L60.2Low66.3Low84 Ų8465.7 Ų65.744%0.4435%0.353SS..PPolyproline II helixtrans-77.4150.9169.9-71.5153.6000109.8N712 E713L710-N712 PolarHBondContact O-N 3.47Å; L710-E713 HydrophobicContact CB-CB 4.16Å; L710-E713 PolarHBondContact O-N 3.08Å
711P54.2Low65.9Low62 Ų6270 Ų7040%0.40337%0.369SS..THydrogen-bonded Turntrans-54.2-31.2-175.6-22.227.4000115V1040 V1043P711-V1040 HydrophobicContact CB-CG1 4.11Å; P711-V1040 HydrophobicContact CG-CG1 3.99Å; P711-V1043 HydrophobicContact CG-CG2 3.34Å
712N55.3Low66.1Low137 Ų13766.9 Ų66.973%0.73335%0.352SS*.THydrogen-bonded Turntrans-101.30.3-176.6-62.9-6.7000113.4L710L710-N712 PolarHBondContact O-N 3.47Å
713E56.1Low66.5Low36 Ų3666.1 Ų66.117%0.16835%0.349CS..SBendtrans-85.3135.1177.2-166.2174.4164.400108.6T625 R707 R709 L710T625-E713 HydrophobicContact CG2-CG 4.38Å; R707-E713 IonicContact NH2-OE2 2.68Å; R709-E713 HydrophobicContact CG-CB 4.22Å; R709-E713 PolarHBondContact NE-O 3.29Å; R709-E713 PolarHBondContact NH2-O 2.95Å; L710-E713 HydrophobicContact CB-CB 4.16Å; L710-E713 PolarHBondContact O-N 3.08Å
714P58.1Low66.6Low58 Ų5864.4 Ų64.438%0.37734%0.34SS..  trans-70.3149.9173.227.7-33000111.8R702 C716R702-P714 PolarHBondContact NH2-O 3.24Å; P714-C716 VanDerWaalsContact C-N 3.33Å; P714-C716 PolarHBondContact O-N 3.33Å
715S59.6Low67Low39 Ų3961.4 Ų61.427%0.27332%0.32SS..SBendtrans-62.8-42.5178.229.80000110.5R702 R709 D1038R702-S715 PolarHBondContact NH1-O 3.07Å; R702-S715 PolarHBondContact NH2-O 3.08Å; R709-S715 VanDerWaalsContact NH1-CB 3.3Å; R709-S715 VanDerWaalsContact NH2-N 3.12Å; S715-D1038 WeakPolarHBondContact CB-OD2 3.39Å
716C66.2Low67.7Low10 Ų1057.9 Ų57.97%0.06830%0.298CS..  trans-137153.1177178.30000108.3F695 P714 Y718F695-C716 HydrophobicContact CD2-CB 4.31Å; F695-C716 VanDerWaalsContact CD2-SG 3.52Å; F695-C716 HydrophobicContact CE2-CB 4.3Å; P714-C716 VanDerWaalsContact C-N 3.33Å; P714-C716 PolarHBondContact O-N 3.33Å; C716-Y718 WeakPolarHBondContact CB-O 3.34Å; C716-Y718 PolarHBondContact O-N 3.46Å; C716-Y718 PolarHBondContact SG-N 3.05Å; C716-Y718 PolarHBondContact SG-O 3.39Å
717V67.9Low68.5Low29 Ų2952.3 Ų52.318%0.17627%0.268CS..SBendtrans-57.4-32.5169.2178.60000110.9I628 L632I628-V717 HydrophobicContact CG2-CG2 4.47Å; L632-V717 HydrophobicContact CD1-CG1 4.15Å; L632-V717 HydrophobicContact CD1-CG2 3.99Å
718Y79Confident69.6Low3 Ų346 Ų461%0.01225%0.245CC..SBendtrans-104.6138.2179.2-57-52.6000112.4I633 E635 I638 Y690 A691 V694 C716 L722I633-Y718 WeakPolarHBondContact O-CE1 3.31Å; I633-Y718 PolarHBondContact O-OH 3.2Å; E635-Y718 HydrophobicContact CB-CD1 4.02Å; E635-Y718 HydrophobicContact CG-CD1 4.33Å; I638-Y718 HydrophobicContact CD1-CD1 4.25Å; I638-Y718 HydrophobicContact CD1-CE1 3.56Å; I638-Y718 HydrophobicContact CD1-CE2 4.22Å; Y690-Y718 VanDerWaalsContact CE1-OH 3.3Å; Y690-Y718 WeakPolarHBondContact CE1-OH 3.33Å; A691-Y718 HydrophobicContact CB-CE2 4.49Å; V694-Y718 HydrophobicContact CB-CE2 3.89Å; V694-Y718 HydrophobicContact CG1-CD2 4.41Å; V694-Y718 HydrophobicContact CG1-CE2 3.69Å; V694-Y718 HydrophobicContact CG2-CE2 4.37Å; C716-Y718 WeakPolarHBondContact CB-O 3.34Å; C716-Y718 PolarHBondContact O-N 3.46Å; C716-Y718 PolarHBondContact SG-N 3.05Å; C716-Y718 PolarHBondContact SG-O 3.39Å; Y718-L722 HydrophobicContact CD1-CD2 4.05Å; Y718-L722 HydrophobicContact CD2-CD2 4.3Å; Y718-L722 HydrophobicContact CG-CD2 3.74Å
719S72.1Confident70.4Confident42 Ų4244.7 Ų44.729%0.29424%0.24SC..  trans-71.7153.6176.1880000112.1E635 K721 L722E635-S719 WeakPolarHBondContact OE1-CB 3.48Å; E635-S719 PolarHBondContact OE1-OG 3.46Å; E635-S719 WeakPolarHBondContact OE2-CB 3.39Å; E635-S719 PolarHBondContact OE2-N 3.13Å; E635-S719 PolarHBondContact OE2-OG 3.5Å; S719-K721 PolarHBondContact O-N 3Å; S719-K721 VanDerWaalsContact O-N 3.1Å; S719-K721 WeakPolarHBondContact OG-CB 3.37Å; S719-K721 PolarHBondContact OG-N 2.83Å; S719-L722 VanDerWaalsContact O-CB 3.28Å; S719-L722 WeakPolarHBondContact O-CB 3.45Å; S719-L722 PolarHBondContact O-N 3.02Å
720N71Confident71.2Confident97 Ų9743 Ų4352%0.51923%0.233SC..Hα-helixtrans-60.2-22.1174.8-69.4-12000113L722 W723N720-L722 PolarHBondContact O-N 3.27Å; N720-W723 PolarHBondContact O-N 2.89Å
721K71.8Confident72.3Confident157 Ų15739 Ų3968%0.68321%0.213SC*.Hα-helixtrans-66.7-25177.3-60.2178.3174.8179.50112.2S719 D724 I725S719-K721 PolarHBondContact O-N 3Å; S719-K721 VanDerWaalsContact O-N 3.1Å; S719-K721 WeakPolarHBondContact OG-CB 3.37Å; S719-K721 PolarHBondContact OG-N 2.83Å; K721-D724 PolarHBondContact O-N 2.9Å; K721-I725 WeakPolarHBondContact O-CG1 3.49Å; K721-I725 PolarHBondContact O-N 2.98Å
722L80.7Confident73.7Confident0 Ų036.2 Ų36.20%019%0.194CC..Hα-helixtrans-59.7-47.2176.9-179.365.9000111E635 I638 I639 Y718 S719 N720 D724 I725 I726E635-L722 HydrophobicContact CG-CB 4.38Å; E635-L722 HydrophobicContact CG-CD1 4.14Å; I638-L722 HydrophobicContact CB-CD1 4.41Å; I638-L722 HydrophobicContact CG2-CD1 3.97Å; I638-L722 HydrophobicContact CG2-CD2 4.5Å; I639-L722 HydrophobicContact CD1-CD1 4.35Å; I639-L722 HydrophobicContact CG1-CD1 3.67Å; Y718-L722 HydrophobicContact CD1-CD2 4.05Å; Y718-L722 HydrophobicContact CD2-CD2 4.3Å; Y718-L722 HydrophobicContact CG-CD2 3.74Å; S719-L722 VanDerWaalsContact O-CB 3.28Å; S719-L722 WeakPolarHBondContact O-CB 3.45Å; S719-L722 PolarHBondContact O-N 3.02Å; N720-L722 PolarHBondContact O-N 3.27Å; L722-D724 PolarHBondContact O-N 3.41Å; L722-I725 PolarHBondContact O-N 3.37Å; L722-I725 VanDerWaalsContact O-N 3.11Å; L722-I726 HydrophobicContact CD1-CD1 3.91Å; L722-I726 HydrophobicContact CD1-CG1 4.45Å; L722-I726 HydrophobicContact CD2-CD1 4.41Å; L722-I726 HydrophobicContact CG-CD1 3.82Å; L722-I726 WeakPolarHBondContact O-CG1 3.38Å; L722-I726 PolarHBondContact O-N 3.44Å
723W80.8Confident74.8Confident7 Ų733.2 Ų33.23%0.02717%0.173CC..Hα-helixtrans-67.6-20.8-177.5-53.8116.5000113.2A691 F692 F695 N720 I728 F757A691-W723 HydrophobicContact CB-CH2 4.02Å; A691-W723 HydrophobicContact CB-CZ3 4.36Å; F692-W723 AromaticContact CD1-CH2 3.87Å; F692-W723 HydrophobicContact CD1-CH2 3.87Å; F692-W723 HydrophobicContact CD1-CZ3 4.04Å; F692-W723 HydrophobicContact CD2-CH2 4.33Å; F692-W723 AromaticContact CD2-CZ3 3.94Å; F692-W723 HydrophobicContact CD2-CZ3 3.94Å; F692-W723 HydrophobicContact CE1-CE3 4.4Å; F692-W723 AromaticContact CE1-CH2 3.96Å; F692-W723 HydrophobicContact CE1-CH2 3.96Å; F692-W723 AromaticContact CE1-CZ3 3.78Å; F692-W723 HydrophobicContact CE1-CZ3 3.78Å; F692-W723 HydrophobicContact CE2-CE3 4.39Å; F692-W723 HydrophobicContact CE2-CH2 4.42Å; F692-W723 AromaticContact CE2-CZ3 3.67Å; F692-W723 HydrophobicContact CE2-CZ3 3.67Å; F692-W723 HydrophobicContact CG-CH2 4.05Å; F692-W723 HydrophobicContact CG-CZ3 4.1Å; F692-W723 HydrophobicContact CZ-CE3 4.04Å; F692-W723 HydrophobicContact CZ-CH2 4.23Å; F692-W723 AromaticContact CZ-CZ3 3.57Å; F692-W723 HydrophobicContact CZ-CZ3 3.57Å; F695-W723 HydrophobicContact CB-CZ2 4.19Å; F695-W723 HydrophobicContact CG-CZ2 4.24Å; N720-W723 PolarHBondContact O-N 2.89Å; W723-I728 HydrophobicContact CE3-CD1 4.23Å; W723-F757 HydrophobicContact CB-CZ 4.45Å; W723-F757 AromaticContact CD1-CZ 3.84Å; W723-F757 HydrophobicContact CD2-CE2 4.16Å; W723-F757 AromaticContact CD2-CZ 3.93Å; W723-F757 HydrophobicContact CD2-CZ 3.93Å; W723-F757 HydrophobicContact CE3-CE2 4.41Å; W723-F757 HydrophobicContact CG-CE1 4.49Å; W723-F757 AromaticContact CG-CZ 3.84Å; W723-F757 HydrophobicContact CG-CZ 3.84Å; W723-F757 AromaticContact NE1-CZ 3.94Å
724D75.6Confident75.8Confident44 Ų4432.6 Ų32.624%0.23517%0.169CC..Hα-helixtrans-82.7-16.5176.1-65.8-27.7000113.3P656 G657 K721 L722 R933P656-D724 WeakPolarHBondContact CD-O 3.38Å; P656-D724 HydrophobicContact CG-CB 4.14Å; P656-D724 WeakPolarHBondContact CG-O 3.27Å; G657-D724 PolarHBondContact N-O 2.79Å; K721-D724 PolarHBondContact O-N 2.9Å; L722-D724 PolarHBondContact O-N 3.41Å; D724-R933 IonicContact OD1-NH1 3.53Å; D724-R933 PolarHBondContact OD1-NH1 2.68Å
725I77.8Confident77Confident51 Ų5129.9 Ų29.926%0.26215%0.151SC..Hα-helixtrans-91.2-29.1177-63.1165.6000110.8I639 A655 K721 L722I639-I725 HydrophobicContact CD1-CD1 4.14Å; I639-I725 HydrophobicContact CG1-CD1 4.26Å; A655-I725 WeakPolarHBondContact CB-O 3.09Å; K721-I725 WeakPolarHBondContact O-CG1 3.49Å; K721-I725 PolarHBondContact O-N 2.98Å; L722-I725 PolarHBondContact O-N 3.37Å; L722-I725 VanDerWaalsContact O-N 3.11Å
726I83Confident77.9Confident4 Ų432.5 Ų32.52%0.02116%0.155CC..SBendtrans-87.6124.6-174-61.3173.7000110.8I638 F642 L688 L722 I728 L731I638-I726 HydrophobicContact CG2-CD1 4.4Å; F642-I726 HydrophobicContact CD2-CD1 4.13Å; F642-I726 HydrophobicContact CD2-CG1 3.86Å; F642-I726 HydrophobicContact CE1-CG2 4.24Å; F642-I726 HydrophobicContact CE2-CD1 3.72Å; F642-I726 HydrophobicContact CE2-CG1 3.87Å; F642-I726 HydrophobicContact CG-CG1 4.34Å; F642-I726 HydrophobicContact CZ-CD1 4.26Å; F642-I726 HydrophobicContact CZ-CG1 4.32Å; F642-I726 HydrophobicContact CZ-CG2 4.17Å; L688-I726 HydrophobicContact CD1-CG2 3.69Å; L722-I726 HydrophobicContact CD1-CD1 3.91Å; L722-I726 HydrophobicContact CD1-CG1 4.45Å; L722-I726 HydrophobicContact CD2-CD1 4.41Å; L722-I726 HydrophobicContact CG-CD1 3.82Å; L722-I726 WeakPolarHBondContact O-CG1 3.38Å; L722-I726 PolarHBondContact O-N 3.44Å; I726-I728 VanDerWaalsContact C-N 3.3Å; I726-I728 HydrophobicContact CB-CG1 4.42Å; I726-I728 HydrophobicContact CG2-CG1 3.96Å; I726-I728 PolarHBondContact O-N 2.95Å; I726-L731 HydrophobicContact CG2-CD1 4.28Å
727P81.6Confident78.2Confident2 Ų235.7 Ų35.71%0.01318%0.182CC..  trans-82.471.6177.332.7-32.4000111.3F648 I651 C654 T729 Y730 L731F648-P727 HydrophobicContact CE1-CG 4.06Å; F648-P727 HydrophobicContact CE2-CG 4.39Å; F648-P727 HydrophobicContact CZ-CG 3.49Å; F648-P727 VanDerWaalsContact CZ-CG 3.49Å; I651-P727 HydrophobicContact CB-CG 4.44Å; I651-P727 HydrophobicContact CG2-CB 3.81Å; I651-P727 HydrophobicContact CG2-CG 3.27Å; C654-P727 HydrophobicContact CB-CB 3.81Å; P727-T729 PolarHBondContact O-N 2.96Å; P727-Y730 PolarHBondContact O-N 3.42Å; P727-L731 PolarHBondContact O-N 2.83Å
728I84.3Confident78.7Confident6 Ų637 Ų373%0.03119%0.186CC..Hα-helixtrans-55.2-48.9-172.3-61.9159000112.2L688 F692 W723 I726 Y730 L731 L732 V753 L760L688-I728 HydrophobicContact CD1-CG1 4.31Å; F692-I728 HydrophobicContact CE2-CD1 4.39Å; F692-I728 HydrophobicContact CE2-CG1 4.3Å; F692-I728 HydrophobicContact CE2-CG2 4.22Å; F692-I728 HydrophobicContact CZ-CD1 4Å; F692-I728 HydrophobicContact CZ-CG1 4.39Å; F692-I728 HydrophobicContact CZ-CG2 4.35Å; W723-I728 HydrophobicContact CE3-CD1 4.23Å; I726-I728 VanDerWaalsContact C-N 3.3Å; I726-I728 HydrophobicContact CB-CG1 4.42Å; I726-I728 HydrophobicContact CG2-CG1 3.96Å; I726-I728 PolarHBondContact O-N 2.95Å; I728-Y730 PolarHBondContact O-N 3.48Å; I728-L731 PolarHBondContact O-N 3.19Å; I728-L732 HydrophobicContact CG2-CD1 4.04Å; I728-L732 HydrophobicContact CG2-CG 4.4Å; I728-L732 WeakPolarHBondContact O-CG 3.49Å; I728-L732 PolarHBondContact O-N 2.77Å; I728-V753 HydrophobicContact CG2-CG1 4.07Å; I728-V753 HydrophobicContact CG2-CG2 4Å; I728-L760 HydrophobicContact CB-CD1 4.09Å; I728-L760 HydrophobicContact CD1-CD1 3.6Å; I728-L760 HydrophobicContact CG1-CD1 4.46Å; I728-L760 HydrophobicContact CG2-CD1 4.04Å
729T82.9Confident78.8Confident16 Ų1641 Ų4110%0.09821%0.207CC..Hα-helixtrans-65.6-38-176.244.50000113.1P727 L732 R733 L760 I930 P932P727-T729 PolarHBondContact O-N 2.96Å; T729-L732 PolarHBondContact O-N 3.34Å; T729-R733 WeakPolarHBondContact O-CB 3.26Å; T729-R733 PolarHBondContact O-N 3.4Å; T729-L760 HydrophobicContact CG2-CB 4.04Å; T729-L760 HydrophobicContact CG2-CD2 4.29Å; T729-I930 PolarHBondContact OG1-O 3.24Å; T729-P932 HydrophobicContact CG2-CG 3.69Å; T729-P932 WeakPolarHBondContact OG1-CD 3.31Å
730Y77.2Confident79Confident19 Ų1942.6 Ų42.68%0.07522%0.219CC..Hα-helixtrans-64-44.5174.8-173.5-85.6000111.2I651 F681 P727 I728 R733 Y734 D884 L887 I930I651-Y730 HydrophobicContact CB-CD1 4.42Å; I651-Y730 HydrophobicContact CD1-CD1 3.98Å; I651-Y730 HydrophobicContact CD1-CE1 3.48Å; I651-Y730 VanDerWaalsContact CD1-CE1 3.48Å; I651-Y730 HydrophobicContact CG1-CD1 4.05Å; I651-Y730 HydrophobicContact CG1-CE1 3.66Å; I651-Y730 HydrophobicContact CG2-CD1 3.53Å; I651-Y730 HydrophobicContact CG2-CE1 4.06Å; I651-Y730 HydrophobicContact CG2-CG 3.93Å; F681-Y730 HydrophobicContact CE2-CE1 4.49Å; P727-Y730 PolarHBondContact O-N 3.42Å; I728-Y730 PolarHBondContact O-N 3.48Å; Y730-R733 PolarHBondContact O-N 3.38Å; Y730-Y734 PolarHBondContact O-N 2.9Å; Y730-D884 PolarHBondContact OH-OD2 2.79Å; Y730-D884 VanDerWaalsContact OH-OD2 3.1Å; Y730-L887 HydrophobicContact CE2-CD1 4.2Å; Y730-I930 HydrophobicContact CD2-CG2 3.73Å; Y730-I930 HydrophobicContact CE2-CG2 4.49Å
731L83.7Confident79.6Confident0 Ų039.6 Ų39.60%020%0.202CC..Hα-helixtrans-65.3-40.8178.4-68.6172.4000111.9F642 F681 Q684 L685 L688 I726 P727 I728 Y734 A735F642-L731 HydrophobicContact CE1-CD1 3.88Å; F681-L731 HydrophobicContact CB-CD2 4.35Å; Q684-L731 HydrophobicContact CB-CD2 4.33Å; L685-L731 HydrophobicContact CD2-CB 3.92Å; L688-L731 HydrophobicContact CD2-CB 3.97Å; L688-L731 HydrophobicContact CD2-CD1 3.83Å; I726-L731 HydrophobicContact CG2-CD1 4.28Å; P727-L731 PolarHBondContact O-N 2.83Å; I728-L731 PolarHBondContact O-N 3.19Å; L731-Y734 PolarHBondContact O-N 3.08Å; L731-A735 WeakPolarHBondContact O-CB 3.38Å; L731-A735 PolarHBondContact O-N 3.17Å
732L83.7Confident80.3Confident4 Ų432.1 Ų32.12%0.02117%0.17CC..Hα-helixtrans-59.7-45.5173.1-77174.5000111.9I728 T729 Y734 A735 R736 Y746 L749 V753 T761I728-L732 HydrophobicContact CG2-CD1 4.04Å; I728-L732 HydrophobicContact CG2-CG 4.4Å; I728-L732 WeakPolarHBondContact O-CG 3.49Å; I728-L732 PolarHBondContact O-N 2.77Å; T729-L732 PolarHBondContact O-N 3.34Å; L732-Y734 PolarHBondContact O-N 2.99Å; L732-A735 PolarHBondContact O-N 2.52Å; L732-R736 WeakPolarHBondContact O-CB 3.32Å; L732-R736 PolarHBondContact O-N 2.84Å; L732-Y746 HydrophobicContact CD2-CE2 4.48Å; L732-L749 HydrophobicContact CD2-CD2 3.82Å; L732-L749 HydrophobicContact CD2-CG 3.84Å; L732-V753 HydrophobicContact CD1-CB 4.23Å; L732-V753 HydrophobicContact CD1-CG1 3.99Å; L732-V753 HydrophobicContact CD1-CG2 4.12Å; L732-V753 HydrophobicContact CD2-CG2 4.38Å; L732-T761 HydrophobicContact CD1-CG2 4.37Å
733R77.9Confident80.4Confident73 Ų7340.5 Ų40.528%0.27520%0.202SC..Hα-helixtrans-62.3-43.1176.8-178.8175.8171-129-13.2111.9T729 Y730 R736 A737 D884T729-R733 WeakPolarHBondContact O-CB 3.26Å; T729-R733 PolarHBondContact O-N 3.4Å; Y730-R733 PolarHBondContact O-N 3.38Å; R733-R736 WeakPolarHBondContact O-CB 3.29Å; R733-R736 PolarHBondContact O-N 3.21Å; R733-A737 PolarHBondContact O-N 3.41Å; R733-D884 IonicContact CZ-OD1 3.98Å; R733-D884 IonicContact NH1-OD1 2.64Å; R733-D884 PolarHBondContact NH1-OD1 3.46Å; R733-D884 IonicContact NH2-OD1 2.67Å
734Y77.8Confident80.6Confident24 Ų2441.7 Ų41.79%0.09421%0.211CC..Hα-helixtrans-61.3-45175.8179-92.2000111.5R583 Q679 F681 L685 Y730 L731 L732 R736 A737 H738 Y742R583-Y734 PolarHBondContact NH1-OH 3.24Å; Q679-Y734 PolarHBondContact O-OH 2.9Å; F681-Y734 HydrophobicContact CB-CD1 3.98Å; F681-Y734 HydrophobicContact CB-CE1 3.79Å; F681-Y734 AromaticContact CD2-CD1 3.85Å; F681-Y734 HydrophobicContact CD2-CD1 3.85Å; F681-Y734 AromaticContact CD2-CD2 3.6Å; F681-Y734 HydrophobicContact CD2-CD2 3.6Å; F681-Y734 AromaticContact CD2-CE1 3.74Å; F681-Y734 HydrophobicContact CD2-CE1 3.74Å; F681-Y734 AromaticContact CD2-CE2 3.47Å; F681-Y734 HydrophobicContact CD2-CE2 3.47Å; F681-Y734 VanDerWaalsContact CD2-CE2 3.47Å; F681-Y734 AromaticContact CD2-CG 3.77Å; F681-Y734 HydrophobicContact CD2-CG 3.77Å; F681-Y734 AromaticContact CD2-CZ 3.54Å; F681-Y734 AromaticContact CE2-CD2 4Å; F681-Y734 HydrophobicContact CE2-CD2 4Å; F681-Y734 AromaticContact CE2-CE2 3.86Å; F681-Y734 HydrophobicContact CE2-CE2 3.86Å; F681-Y734 HydrophobicContact CG-CD1 4.42Å; F681-Y734 HydrophobicContact CG-CE1 4.26Å; L685-Y734 HydrophobicContact CD1-CD1 4.09Å; L685-Y734 HydrophobicContact CD1-CE1 4.44Å; Y730-Y734 PolarHBondContact O-N 2.9Å; L731-Y734 PolarHBondContact O-N 3.08Å; L732-Y734 PolarHBondContact O-N 2.99Å; Y734-R736 VanDerWaalsContact C-N 3.27Å; Y734-R736 PolarHBondContact O-N 3.18Å; Y734-A737 PolarHBondContact O-N 3.41Å; Y734-H738 AromaticContact CD2-CD2 3.94Å; Y734-H738 AromaticContact CE1-CD2 3.9Å; Y734-H738 AromaticContact CE2-CD2 3.59Å; Y734-H738 AromaticContact CE2-NE2 3.55Å; Y734-H738 AromaticContact CZ-CD2 3.57Å; Y734-H738 AromaticContact CZ-NE2 3.85Å; Y734-H738 PolarHBondContact O-CD2 3.27Å; Y734-H738 PolarHBondContact O-N 3.16Å; Y734-Y742 HydrophobicContact CD1-CE2 4.21Å; Y734-Y742 AromaticContact CE1-CE2 3.83Å; Y734-Y742 HydrophobicContact CE1-CE2 3.83Å
735A82.9Confident81.3Confident0 Ų039.7 Ų39.70%020%0.2CC..Hα-helixtrans-61.5-36.117600000112.3L685 L731 L732 H738 L739 Y742 Y746L685-A735 HydrophobicContact CD1-CB 4.04Å; L685-A735 HydrophobicContact CD2-CB 4.02Å; L731-A735 WeakPolarHBondContact O-CB 3.38Å; L731-A735 PolarHBondContact O-N 3.17Å; L732-A735 PolarHBondContact O-N 2.52Å; A735-H738 CarbonylContact O-C 3.29Å; A735-H738 VanDerWaalsContact O-C 3.27Å; A735-H738 PolarHBondContact O-N 2.91Å; A735-L739 PolarHBondContact O-N 2.87Å; A735-Y742 HydrophobicContact CB-CD2 4.25Å; A735-Y742 HydrophobicContact CB-CG 4.43Å; A735-Y746 HydrophobicContact CB-CD2 3.82Å
736R77.7Confident81.8Confident95 Ų9538.4 Ų38.436%0.35819%0.192SC..Hα-helixtrans-69.1-42.5175.2-177.3178.5173.6171.9-1.1112.8L732 R733 Y734 H738 L739 Y746 E764 W777L732-R736 WeakPolarHBondContact O-CB 3.32Å; L732-R736 PolarHBondContact O-N 2.84Å; R733-R736 WeakPolarHBondContact O-CB 3.29Å; R733-R736 PolarHBondContact O-N 3.21Å; Y734-R736 VanDerWaalsContact C-N 3.27Å; Y734-R736 PolarHBondContact O-N 3.18Å; R736-H738 PolarHBondContact O-N 3.34Å; R736-L739 PolarHBondContact O-N 3.48Å; R736-Y746 HydrophobicContact CB-CE2 3.87Å; R736-E764 IonicContact NH1-OE1 3.52Å; R736-W777 VanDerWaalsContact NH2-CE3 3.27Å
737A72.3Confident82.1Confident76 Ų7641.7 Ų41.763%0.62821%0.214SC*.Hα-helixtrans-59.9-29176.400000111.8R733 Y734R733-A737 PolarHBondContact O-N 3.41Å; Y734-A737 PolarHBondContact O-N 3.41Å
738H79.9Confident82.5Confident56 Ų5645.3 Ų45.326%0.25923%0.229SC..THydrogen-bonded Turntrans-111.946.1176.9-59.9-64.9000112.5Y734 A735 R736 S740 D741 Y742Y734-H738 AromaticContact CD2-CD2 3.94Å; Y734-H738 AromaticContact CE1-CD2 3.9Å; Y734-H738 AromaticContact CE2-CD2 3.59Å; Y734-H738 AromaticContact CE2-NE2 3.55Å; Y734-H738 AromaticContact CZ-CD2 3.57Å; Y734-H738 AromaticContact CZ-NE2 3.85Å; Y734-H738 PolarHBondContact O-CD2 3.27Å; Y734-H738 PolarHBondContact O-N 3.16Å; A735-H738 CarbonylContact O-C 3.29Å; A735-H738 VanDerWaalsContact O-C 3.27Å; A735-H738 PolarHBondContact O-N 2.91Å; R736-H738 PolarHBondContact O-N 3.34Å; H738-S740 VanDerWaalsContact C-N 3.28Å; H738-S740 PolarHBondContact O-N 3.2Å; H738-D741 HydrophobicContact CB-CB 4.35Å; H738-D741 PolarHBondContact O-N 3.46Å; H738-Y742 HydrophobicContact CB-CD2 3.8Å; H738-Y742 HydrophobicContact CB-CE2 3.81Å; H738-Y742 WeakPolarHBondContact O-CD2 3.47Å; H738-Y742 PolarHBondContact O-N 3.28Å; H738-Y742 VanDerWaalsContact O-N 3.13Å
739L80.6Confident82.8Confident88 Ų8845 Ų4546%0.46123%0.228SC..THydrogen-bonded Turntrans-57.6-34.4-173.6-170.868.9000114.1A735 R736 D741 R743 Y746A735-L739 PolarHBondContact O-N 2.87Å; R736-L739 PolarHBondContact O-N 3.48Å; L739-D741 PolarHBondContact O-N 2.88Å; L739-R743 WeakPolarHBondContact O-CA 3.46Å; L739-R743 PolarHBondContact O-N 3.28Å; L739-Y746 HydrophobicContact CD1-CD1 3.5Å; L739-Y746 VanDerWaalsContact CD1-CD1 3.5Å; L739-Y746 HydrophobicContact CD1-CE1 4.05Å; L739-Y746 HydrophobicContact CD1-CG 4.12Å
740S75.7Confident83.1Confident76 Ų7646.3 Ų46.353%0.53123%0.234SC..THydrogen-bonded Turntrans-59.7-39.2176.154.30000112.1H738H738-S740 VanDerWaalsContact C-N 3.28Å; H738-S740 PolarHBondContact O-N 3.2Å
741D83.7Confident83.6Confident33 Ų3351.2 Ų51.218%0.17626%0.258CS..THydrogen-bonded Turntrans-84.9-28.5-171.2-64.5-1.8000111.3R583 P584 I585 H738 L739R583-D741 HydrophobicContact CB-CB 4.42Å; P584-D741 HydrophobicContact CB-CB 3.95Å; I585-D741 WeakPolarHBondContact CG2-O 3.46Å; I585-D741 PolarHBondContact N-O 3.34Å; H738-D741 HydrophobicContact CB-CB 4.35Å; H738-D741 PolarHBondContact O-N 3.46Å; L739-D741 PolarHBondContact O-N 2.88Å
742Y86.7Confident83.9Confident0 Ų051.9 Ų51.90%026%0.261CS..SBendtrans-108.416.4179.7-63.2-67.4000114.6I585 D680 T682 L685 Y734 A735 H738 S744 L745 Y746I585-Y742 HydrophobicContact CB-CD1 4.32Å; I585-Y742 HydrophobicContact CG2-CD1 4.47Å; D680-Y742 PolarHBondContact OD1-OH 2.9Å; T682-Y742 HydrophobicContact CG2-CE1 4.26Å; T682-Y742 WeakPolarHBondContact OG1-CE1 3.1Å; T682-Y742 PolarHBondContact OG1-OH 3.43Å; L685-Y742 HydrophobicContact CD1-CD1 3.99Å; L685-Y742 HydrophobicContact CD1-CD2 4.31Å; L685-Y742 HydrophobicContact CD1-CE1 3.56Å; L685-Y742 HydrophobicContact CD1-CE2 3.88Å; L685-Y742 HydrophobicContact CD1-CG 4.36Å; L685-Y742 VanDerWaalsContact CD1-CZ 3.5Å; Y734-Y742 HydrophobicContact CD1-CE2 4.21Å; Y734-Y742 AromaticContact CE1-CE2 3.83Å; Y734-Y742 HydrophobicContact CE1-CE2 3.83Å; A735-Y742 HydrophobicContact CB-CD2 4.25Å; A735-Y742 HydrophobicContact CB-CG 4.43Å; H738-Y742 HydrophobicContact CB-CD2 3.8Å; H738-Y742 HydrophobicContact CB-CE2 3.81Å; H738-Y742 WeakPolarHBondContact O-CD2 3.47Å; H738-Y742 PolarHBondContact O-N 3.28Å; H738-Y742 VanDerWaalsContact O-N 3.13Å; Y742-S744 PolarHBondContact O-N 3.46Å; Y742-L745 HydrophobicContact CD1-CD2 4.31Å; Y742-L745 PolarHBondContact O-N 2.95Å; Y742-Y746 PolarHBondContact O-N 3.39Å
743R83.1Confident84.1Confident177 Ų17751.7 Ų51.767%0.66826%0.26SS*.THydrogen-bonded Turntrans-49.5-35.8-174.9-176.7-179.9-77.1-167.4-4.2114.7L739 P747L739-R743 WeakPolarHBondContact O-CA 3.46Å; L739-R743 PolarHBondContact O-N 3.28Å; R743-P747 WeakPolarHBondContact O-CD 3.28Å
744S84.7Confident84.5Confident32 Ų3250 Ų5022%0.22426%0.258CS..THydrogen-bonded Turntrans-84.1-13.3-18053.60000114.5I585 Y742I585-S744 WeakPolarHBondContact CG2-OG 3.25Å; Y742-S744 PolarHBondContact O-N 3.46Å
745L89.3Confident84.8Confident1 Ų153.2 Ų53.21%0.00528%0.276CS..THydrogen-bonded Turntrans-109.1-47-175-174.375.4000112.1I585 P590 L685 L686 Y689 Y742 K748 L749I585-L745 HydrophobicContact CD1-CB 4.01Å; I585-L745 HydrophobicContact CD1-CD1 4.41Å; I585-L745 HydrophobicContact CD1-CD2 3.85Å; I585-L745 HydrophobicContact CD1-CG 4.32Å; P590-L745 HydrophobicContact CG-CD1 4.1Å; L685-L745 HydrophobicContact CB-CD2 3.96Å; L686-L745 HydrophobicContact CD2-CD1 4.31Å; Y689-L745 HydrophobicContact CD1-CD1 3.84Å; Y689-L745 HydrophobicContact CD2-CD1 3.87Å; Y689-L745 HydrophobicContact CE1-CD1 4.43Å; Y689-L745 HydrophobicContact CE2-CD1 4.47Å; Y689-L745 HydrophobicContact CG-CD1 3.53Å; Y742-L745 HydrophobicContact CD1-CD2 4.31Å; Y742-L745 PolarHBondContact O-N 2.95Å; L745-K748 PolarHBondContact O-N 2.93Å; L745-K748 VanDerWaalsContact O-N 3.16Å; L745-L749 WeakPolarHBondContact O-CB 3.5Å; L745-L749 PolarHBondContact O-N 2.96Å
746Y89.6Confident84.9Confident25 Ų2553.4 Ų53.410%0.09828%0.278CS..Hα-helixtrans-55.8-47.5-171.3174.2-102.4000113.7L732 A735 R736 L739 Y742 K748 L749 L750 E764L732-Y746 HydrophobicContact CD2-CE2 4.48Å; A735-Y746 HydrophobicContact CB-CD2 3.82Å; R736-Y746 HydrophobicContact CB-CE2 3.87Å; L739-Y746 HydrophobicContact CD1-CD1 3.5Å; L739-Y746 VanDerWaalsContact CD1-CD1 3.5Å; L739-Y746 HydrophobicContact CD1-CE1 4.05Å; L739-Y746 HydrophobicContact CD1-CG 4.12Å; Y742-Y746 PolarHBondContact O-N 3.39Å; Y746-K748 VanDerWaalsContact C-N 3.35Å; Y746-K748 PolarHBondContact O-N 3.31Å; Y746-L749 PolarHBondContact O-N 2.85Å; Y746-L750 HydrophobicContact CE1-CD2 4.24Å; Y746-L750 WeakPolarHBondContact O-CB 3.27Å; Y746-L750 PolarHBondContact O-N 2.94Å; Y746-E764 PolarHBondContact OH-OE1 3.29Å
747P88.7Confident85.4Confident73 Ų7350.1 Ų50.147%0.47427%0.266SS..Hα-helixtrans-62.2-40.4178.8-22.634.1000113.1R743 Q751R743-P747 WeakPolarHBondContact O-CD 3.28Å; P747-Q751 WeakPolarHBondContact O-CB 3.44Å; P747-Q751 PolarHBondContact O-N 3.1Å
748K90.5Very high85.9Confident78 Ų7847.6 Ų47.634%0.33924%0.243SC..Hα-helixtrans-65.6-44.1177.1-66.4-175.4170.1-170.10111E594 Y689 L745 Y746 Q751 L752E594-K748 IonicContact OE1-NZ 3.39Å; E594-K748 PolarHBondContact OE1-NZ 2.96Å; E594-K748 IonicContact OE2-NZ 3.27Å; Y689-K748 HydrophobicContact CE2-CB 3.82Å; Y689-K748 HydrophobicContact CE2-CD 4.46Å; L745-K748 PolarHBondContact O-N 2.93Å; L745-K748 VanDerWaalsContact O-N 3.16Å; Y746-K748 VanDerWaalsContact C-N 3.35Å; Y746-K748 PolarHBondContact O-N 3.31Å; K748-Q751 PolarHBondContact O-N 3.41Å; K748-L752 VanDerWaalsContact O-CG 3.29Å; K748-L752 WeakPolarHBondContact O-CG 3.46Å; K748-L752 PolarHBondContact O-N 3.47Å; K748-L752 VanDerWaalsContact O-N 3.09Å
749L90.6Very high86Confident0 Ų045.4 Ų45.40%023%0.233CC..Hα-helixtrans-65.2-45.4178.7-178.664000111.3L685 L688 Y689 F692 L732 L745 Y746 Q751 L752 V753L685-L749 HydrophobicContact CD2-CD2 4.04Å; L688-L749 HydrophobicContact CD2-CD1 4.24Å; L688-L749 HydrophobicContact CD2-CD2 4.13Å; L688-L749 HydrophobicContact CG-CD1 4.09Å; Y689-L749 HydrophobicContact CD2-CB 4.42Å; Y689-L749 HydrophobicContact CD2-CD1 4.39Å; F692-L749 HydrophobicContact CD2-CD1 4.02Å; L732-L749 HydrophobicContact CD2-CD2 3.82Å; L732-L749 HydrophobicContact CD2-CG 3.84Å; L745-L749 WeakPolarHBondContact O-CB 3.5Å; L745-L749 PolarHBondContact O-N 2.96Å; Y746-L749 PolarHBondContact O-N 2.85Å; L749-Q751 VanDerWaalsContact C-N 3.35Å; L749-Q751 PolarHBondContact O-N 2.99Å; L749-L752 PolarHBondContact O-N 3.1Å; L749-V753 HydrophobicContact CD1-CG2 4.42Å; L749-V753 WeakPolarHBondContact O-CG2 3.33Å; L749-V753 PolarHBondContact O-N 2.88Å
750L88.5Confident86.2Confident43 Ų4342 Ų4223%0.22522%0.215CC..Hα-helixtrans-58.8-46.8177179.160000111Y746 L752 V753 T754 T761 E764Y746-L750 HydrophobicContact CE1-CD2 4.24Å; Y746-L750 WeakPolarHBondContact O-CB 3.27Å; Y746-L750 PolarHBondContact O-N 2.94Å; L750-L752 VanDerWaalsContact C-N 3.34Å; L750-L752 PolarHBondContact O-N 3.04Å; L750-V753 PolarHBondContact O-N 3.16Å; L750-T754 WeakPolarHBondContact O-CB 3.37Å; L750-T754 PolarHBondContact O-N 3.47Å; L750-T754 PolarHBondContact O-OG1 3.36Å; L750-T754 VanDerWaalsContact O-OG1 3.08Å; L750-T761 HydrophobicContact CD1-CG2 3.73Å; L750-E764 WeakPolarHBondContact CD1-OE2 3.38Å
751Q88.7Confident86.2Confident122 Ų12238.4 Ų38.457%0.5719%0.19SC*.Hα-helixtrans-57.1-46176.2-176.2-178.95.100112P747 K748 L749 V753 T754 N755P747-Q751 WeakPolarHBondContact O-CB 3.44Å; P747-Q751 PolarHBondContact O-N 3.1Å; K748-Q751 PolarHBondContact O-N 3.41Å; L749-Q751 VanDerWaalsContact C-N 3.35Å; L749-Q751 PolarHBondContact O-N 2.99Å; Q751-V753 PolarHBondContact O-N 3.17Å; Q751-T754 PolarHBondContact O-N 2.62Å; Q751-N755 WeakPolarHBondContact O-CB 3.17Å; Q751-N755 PolarHBondContact O-N 3.36Å; Q751-N755 PolarHBondContact O-OD1 3.41Å
752L89.2Confident85.4Confident13 Ų1337.1 Ų37.17%0.06818%0.183CC..Hα-helixtrans-63-41.2177.8-69.1170.9000111.9Y689 F692 F693 D696 K748 L749 L750 H756Y689-L752 HydrophobicContact CD2-CD1 3.88Å; Y689-L752 HydrophobicContact CE2-CD1 3.56Å; F692-L752 HydrophobicContact CB-CB 4.12Å; F692-L752 HydrophobicContact CB-CD1 3.99Å; F692-L752 HydrophobicContact CD1-CB 4.48Å; F692-L752 HydrophobicContact CG-CB 4.45Å; F693-L752 HydrophobicContact CB-CD1 4.36Å; F693-L752 HydrophobicContact CD2-CD1 4.49Å; D696-L752 HydrophobicContact CB-CD2 3.54Å; K748-L752 VanDerWaalsContact O-CG 3.29Å; K748-L752 WeakPolarHBondContact O-CG 3.46Å; K748-L752 PolarHBondContact O-N 3.47Å; K748-L752 VanDerWaalsContact O-N 3.09Å; L749-L752 PolarHBondContact O-N 3.1Å; L750-L752 VanDerWaalsContact C-N 3.34Å; L750-L752 PolarHBondContact O-N 3.04Å; L752-H756 WeakPolarHBondContact O-CB 3.48Å; L752-H756 PolarHBondContact O-CD2 3.25Å; L752-H756 PolarHBondContact O-N 3.03Å; L752-H756 VanDerWaalsContact O-N 3.16Å
753V88.9Confident84.1Confident0 Ų037.7 Ų37.70%019%0.188CC..Hα-helixtrans-69.1-42.9178-179.10000111.1F692 I728 L732 L749 L750 Q751 N755 H756 F757 L760 T761F692-V753 HydrophobicContact CD2-CG2 4.21Å; F692-V753 HydrophobicContact CE1-CG2 4.23Å; F692-V753 HydrophobicContact CE2-CG2 3.69Å; F692-V753 HydrophobicContact CZ-CG2 3.72Å; I728-V753 HydrophobicContact CG2-CG1 4.07Å; I728-V753 HydrophobicContact CG2-CG2 4Å; L732-V753 HydrophobicContact CD1-CB 4.23Å; L732-V753 HydrophobicContact CD1-CG1 3.99Å; L732-V753 HydrophobicContact CD1-CG2 4.12Å; L732-V753 HydrophobicContact CD2-CG2 4.38Å; L749-V753 HydrophobicContact CD1-CG2 4.42Å; L749-V753 WeakPolarHBondContact O-CG2 3.33Å; L749-V753 PolarHBondContact O-N 2.88Å; L750-V753 PolarHBondContact O-N 3.16Å; Q751-V753 PolarHBondContact O-N 3.17Å; V753-N755 VanDerWaalsContact C-N 3.33Å; V753-N755 PolarHBondContact O-N 3.47Å; V753-H756 PolarHBondContact O-N 3.26Å; V753-F757 CarbonylContact O-C 3.58Å; V753-F757 VanDerWaalsContact O-CA 3.29Å; V753-F757 WeakPolarHBondContact O-CA 3.31Å; V753-F757 PolarHBondContact O-N 3.3Å; V753-L760 HydrophobicContact CG1-CB 4.21Å; V753-L760 HydrophobicContact CG1-CD1 4.43Å; V753-T761 HydrophobicContact CB-CG2 4.32Å; V753-T761 HydrophobicContact CG1-CG2 3.84Å
754T85.6Confident82.7Confident38 Ų3831.5 Ų31.523%0.23317%0.167CC..Hα-helixtrans-64.7-36.3177.9-59.30000112.1L750 Q751 P758 T761 M765L750-T754 WeakPolarHBondContact O-CB 3.37Å; L750-T754 PolarHBondContact O-N 3.47Å; L750-T754 PolarHBondContact O-OG1 3.36Å; L750-T754 VanDerWaalsContact O-OG1 3.08Å; Q751-T754 PolarHBondContact O-N 2.62Å; T754-P758 VanDerWaalsContact O-CB 3.31Å; T754-P758 WeakPolarHBondContact O-CB 3.45Å; T754-P758 WeakPolarHBondContact O-CD 3.41Å; T754-T761 PolarHBondContact OG1-OG1 3.38Å; T754-M765 HydrophobicContact CG2-SD 4.04Å
755N84.5Confident81.1Confident91 Ų9136 Ų3649%0.48719%0.186SC..Hα-helixtrans-70.1-39.4178.2-72.3-4.2000112.7Q751 V753Q751-N755 WeakPolarHBondContact O-CB 3.17Å; Q751-N755 PolarHBondContact O-N 3.36Å; Q751-N755 PolarHBondContact O-OD1 3.41Å; V753-N755 VanDerWaalsContact C-N 3.33Å; V753-N755 PolarHBondContact O-N 3.47Å
756H85Confident79.1Confident5 Ų538.6 Ų38.62%0.02320%0.199CC..Hα-helixtrans-101-30.8-170.5-67.5-56.1000114.2F695 D696 L752 V753 H1034F695-H756 HydrophobicContact CD1-CB 4.18Å; F695-H756 AromaticContact CD1-CD2 3.93Å; F695-H756 AromaticContact CD1-CG 3.67Å; F695-H756 AromaticContact CD1-ND1 3.76Å; F695-H756 HydrophobicContact CE1-CB 3.87Å; F695-H756 AromaticContact CE1-CG 3.58Å; F695-H756 AromaticContact CE1-ND1 3.39Å; F695-H756 WeakPolarHBondContact CE1-ND1 3.47Å; D696-H756 WeakPolarHBondContact CB-NE2 3.33Å; D696-H756 IonicContact OD1-CD2 3.72Å; D696-H756 IonicContact OD1-CE1 3.67Å; D696-H756 IonicContact OD1-NE2 3.99Å; D696-H756 PolarHBondContact OD1-NE2 3.5Å; L752-H756 WeakPolarHBondContact O-CB 3.48Å; L752-H756 PolarHBondContact O-CD2 3.25Å; L752-H756 PolarHBondContact O-N 3.03Å; L752-H756 VanDerWaalsContact O-N 3.16Å; V753-H756 PolarHBondContact O-N 3.26Å; H756-H1034 AromaticContact ND1-CE1 3.21Å; H756-H1034 PolarHBondContact ND1-CE1 2.88Å; H756-H1034 AromaticContact ND1-NE2 3.69Å; H756-H1034 PolarHBondContact O-NE2 3.31Å
757F86.8Confident76.6Confident25 Ų2543 Ų4311%0.1122%0.223CC..  trans-14160.2-179.4-56-85.9000111.6F692 W723 V753 H759 L760F692-F757 HydrophobicContact CD1-CE2 4.47Å; F692-F757 AromaticContact CE1-CD2 3.46Å; F692-F757 HydrophobicContact CE1-CD2 3.46Å; F692-F757 VanDerWaalsContact CE1-CD2 3.46Å; F692-F757 AromaticContact CE1-CE2 3.46Å; F692-F757 HydrophobicContact CE1-CE2 3.46Å; F692-F757 VanDerWaalsContact CE1-CE2 3.46Å; F692-F757 AromaticContact CZ-CD2 3.87Å; F692-F757 HydrophobicContact CZ-CD2 3.87Å; F692-F757 HydrophobicContact CZ-CE2 4.01Å; W723-F757 HydrophobicContact CB-CZ 4.45Å; W723-F757 AromaticContact CD1-CZ 3.84Å; W723-F757 HydrophobicContact CD2-CE2 4.16Å; W723-F757 AromaticContact CD2-CZ 3.93Å; W723-F757 HydrophobicContact CD2-CZ 3.93Å; W723-F757 HydrophobicContact CE3-CE2 4.41Å; W723-F757 HydrophobicContact CG-CE1 4.49Å; W723-F757 AromaticContact CG-CZ 3.84Å; W723-F757 HydrophobicContact CG-CZ 3.84Å; W723-F757 AromaticContact NE1-CZ 3.94Å; V753-F757 CarbonylContact O-C 3.58Å; V753-F757 VanDerWaalsContact O-CA 3.29Å; V753-F757 WeakPolarHBondContact O-CA 3.31Å; V753-F757 PolarHBondContact O-N 3.3Å; F757-H759 AromaticContact CD1-CE1 3.73Å; F757-H759 PolarHBondContact O-N 2.85Å; F757-H759 VanDerWaalsContact O-N 3.09Å; F757-L760 HydrophobicContact CB-CD1 3.75Å; F757-L760 HydrophobicContact CB-CG 4.02Å; F757-L760 HydrophobicContact CG-CD1 4.33Å; F757-L760 WeakPolarHBondContact O-CB 3.35Å; F757-L760 PolarHBondContact O-N 3.45Å
758P83.2Confident74.2Confident23 Ų2345.6 Ų45.615%0.14923%0.229CC..G310 helixtrans-56.3-28-177.721.6-33.2000114T754 L760 T761 M762 S1030T754-P758 VanDerWaalsContact O-CB 3.31Å; T754-P758 WeakPolarHBondContact O-CB 3.45Å; T754-P758 WeakPolarHBondContact O-CD 3.41Å; P758-L760 PolarHBondContact O-N 2.61Å; P758-T761 PolarHBondContact O-N 3.33Å; P758-T761 PolarHBondContact O-OG1 3.47Å; P758-T761 VanDerWaalsContact O-OG1 3.1Å; P758-M762 PolarHBondContact O-N 3.3Å; P758-S1030 WeakPolarHBondContact CD-OG 3.28Å; P758-S1030 WeakPolarHBondContact CG-OG 3.41Å
759H83Confident71.6Confident10 Ų1047.7 Ų47.75%0.04624%0.244CC..G310 helixtrans-60.9-22.9175.859.5-73.2000113.6F757 R933 S1023 L1026 A1027F757-H759 AromaticContact CD1-CE1 3.73Å; F757-H759 PolarHBondContact O-N 2.85Å; F757-H759 VanDerWaalsContact O-N 3.09Å; H759-R933 PolarHBondContact NE2-NE 3.44Å; H759-R933 PolarHBondContact NE2-NH2 3.06Å; H759-R933 VanDerWaalsContact NE2-NH2 3.17Å; H759-S1023 WeakPolarHBondContact CB-O 3.48Å; H759-L1026 HydrophobicContact CB-CB 4.11Å; H759-A1027 HydrophobicContact CB-CB 3.96Å
760L83.8Confident69.2Low17 Ų1754.2 Ų54.29%0.08927%0.274CS..G310 helixtrans-79.9-24.7175.6-61.6-179.1000113I728 T729 V753 F757 P758 P932 R933I728-L760 HydrophobicContact CB-CD1 4.09Å; I728-L760 HydrophobicContact CD1-CD1 3.6Å; I728-L760 HydrophobicContact CG1-CD1 4.46Å; I728-L760 HydrophobicContact CG2-CD1 4.04Å; T729-L760 HydrophobicContact CG2-CB 4.04Å; T729-L760 HydrophobicContact CG2-CD2 4.29Å; V753-L760 HydrophobicContact CG1-CB 4.21Å; V753-L760 HydrophobicContact CG1-CD1 4.43Å; F757-L760 HydrophobicContact CB-CD1 3.75Å; F757-L760 HydrophobicContact CB-CG 4.02Å; F757-L760 HydrophobicContact CG-CD1 4.33Å; F757-L760 WeakPolarHBondContact O-CB 3.35Å; F757-L760 PolarHBondContact O-N 3.45Å; P758-L760 PolarHBondContact O-N 2.61Å; L760-P932 HydrophobicContact CD2-CG 4.13Å; L760-R933 HydrophobicContact CD2-CG 3.84Å
761T76.3Confident66.7Low0 Ų054.7 Ų54.70%028%0.277CS..THydrogen-bonded Turntrans-100.23.1-178.954.30000113L732 L750 V753 T754 P758 G763 E764 M765L732-T761 HydrophobicContact CD1-CG2 4.37Å; L750-T761 HydrophobicContact CD1-CG2 3.73Å; V753-T761 HydrophobicContact CB-CG2 4.32Å; V753-T761 HydrophobicContact CG1-CG2 3.84Å; T754-T761 PolarHBondContact OG1-OG1 3.38Å; P758-T761 PolarHBondContact O-N 3.33Å; P758-T761 PolarHBondContact O-OG1 3.47Å; P758-T761 VanDerWaalsContact O-OG1 3.1Å; T761-G763 PolarHBondContact O-N 3.17Å; T761-E764 WeakPolarHBondContact O-CA 3.33Å; T761-E764 WeakPolarHBondContact O-CB 3.35Å; T761-E764 PolarHBondContact O-N 3.37Å; T761-M765 PolarHBondContact O-N 3.19Å; T761-M765 VanDerWaalsContact O-N 3.15Å
762M67.4Low64.3Low7 Ų755 Ų553%0.03428%0.282CS..Hα-helixtrans-57.1-33.7-179.2-166.8-155.4178.600113.3P758 E764 M766 R1019 E1022 L1026P758-M762 PolarHBondContact O-N 3.3Å; M762-E764 VanDerWaalsContact C-N 3.29Å; M762-E764 PolarHBondContact O-N 3.23Å; M762-M766 HydrophobicContact CE-SD 4.29Å; M762-R1019 VanDerWaalsContact C-NH2 3.28Å; M762-R1019 VanDerWaalsContact CE-NH1 3.3Å; M762-R1019 PolarHBondContact O-NH2 3.26Å; M762-R1019 VanDerWaalsContact O-NH2 3.09Å; M762-R1019 VanDerWaalsContact SD-CZ 3.55Å; M762-E1022 HydrophobicContact CE-CB 3.4Å; M762-E1022 VanDerWaalsContact CE-CB 3.4Å; M762-E1022 HydrophobicContact CE-CG 3.3Å; M762-E1022 WeakPolarHBondContact CE-OE1 3.41Å; M762-E1022 WeakPolarHBondContact CE-OE2 3.44Å; M762-E1022 HydrophobicContact SD-CB 4.41Å; M762-L1026 HydrophobicContact CB-CD1 4.49Å; M762-L1026 HydrophobicContact CG-CD1 4.09Å
763G59Low62Low11 Ų1161.6 Ų61.611%0.11332%0.316CS..Hα-helixtrans-66.6-26.917200000114.2T761 R1019T761-G763 PolarHBondContact O-N 3.17Å; G763-R1019 VanDerWaalsContact CA-NH2 3.27Å
764E53.9Low59.6Low48 Ų4863.7 Ų63.722%0.22433%0.327CS..Hα-helixtrans-88.4-31.8-177.3-59.1-160.1126.500112.9R736 Y746 L750 T761 M762R736-E764 IonicContact NH1-OE1 3.52Å; Y746-E764 PolarHBondContact OH-OE1 3.29Å; L750-E764 WeakPolarHBondContact CD1-OE2 3.38Å; T761-E764 WeakPolarHBondContact O-CA 3.33Å; T761-E764 WeakPolarHBondContact O-CB 3.35Å; T761-E764 PolarHBondContact O-N 3.37Å; M762-E764 VanDerWaalsContact C-N 3.29Å; M762-E764 PolarHBondContact O-N 3.23Å
765M50.4Low57.4Low126 Ų12666.3 Ų66.362%0.62135%0.347SS*.Hα-helixtrans-81.6-23.3-175.9-65.3-176.565.800113.9T754 T761 I767T754-M765 HydrophobicContact CG2-SD 4.04Å; T761-M765 PolarHBondContact O-N 3.19Å; T761-M765 VanDerWaalsContact O-N 3.15Å; M765-I767 PolarHBondContact O-N 3.49Å
766M47Very low55.3Low55 Ų5565 Ų6527%0.27134%0.339SS..  trans-80.471.7176.3-70.6-171.564.100110.7M762 Q768 R1019M762-M766 HydrophobicContact CE-SD 4.29Å; M766-Q768 PolarHBondContact O-N 3.23Å; M766-R1019 PolarHBondContact SD-NH1 2.94Å
767I36.6Very low53.2Low118 Ų11869.2 Ų69.261%0.60536%0.355SS*.  trans-74.657.6161.7-51.9168.9000107.7M765 L772M765-I767 PolarHBondContact O-N 3.49Å; I767-L772 HydrophobicContact CG2-CD1 3.63Å; I767-L772 HydrophobicContact CG2-CG 4Å
768Q38.3Very low50.7Low127 Ų12776.2 Ų76.259%0.59339%0.386SS*.  trans-95.389.5167-73.1-177.1-10.200106.2M766 E770M766-Q768 PolarHBondContact O-N 3.23Å; Q768-E770 PolarHBondContact O-N 3.45Å
769D37.6Very low48.2Very low122 Ų12280.3 Ų80.365%0.65242%0.415SS*.THydrogen-bonded Turntrans41.2-36.9159-60.2-32.6000121.4L771D769-L771 VanDerWaalsContact C-N 3.34Å; D769-L771 PolarHBondContact O-N 3.35Å
770E38.6Very low45.7Very low138 Ų13888.4 Ų88.465%0.64545%0.453SS*.THydrogen-bonded Turntrans-64.7-35.1178.2-64.6-172.4165.900112.4Q768 D774 R925Q768-E770 PolarHBondContact O-N 3.45Å; E770-D774 PolarHBondContact O-N 3.5Å; E770-R925 IonicContact OE2-NH1 2.67Å; E770-R925 PolarHBondContact OE2-NH1 3.3Å
771L36.3Very low43.1Very low53 Ų5395.1 Ų95.128%0.27748%0.483SS..THydrogen-bonded Turntrans-83.9-34.8-175.7-69.2171.5000113.1D769 L773 D774 W777D769-L771 VanDerWaalsContact C-N 3.34Å; D769-L771 PolarHBondContact O-N 3.35Å; L771-L773 PolarHBondContact O-N 2.93Å; L771-L773 VanDerWaalsContact O-N 3.13Å; L771-D774 PolarHBondContact O-N 3.42Å; L771-W777 HydrophobicContact CB-CZ2 4.39Å; L771-W777 HydrophobicContact CD1-CZ2 4.28Å; L771-W777 HydrophobicContact CD2-CZ2 4Å; L771-W777 HydrophobicContact CG-CZ2 4.46Å; L771-W777 PolarHBondContact O-NE1 3.1Å; L771-W777 VanDerWaalsContact O-NE1 3.14Å
772L39.4Very low40.6Very low129 Ų129103.3 Ų103.368%0.67552%0.522SS*.THydrogen-bonded Turntrans-63.1-22.2176.1-74.2172000112.8I767I767-L772 HydrophobicContact CG2-CD1 3.63Å; I767-L772 HydrophobicContact CG2-CG 4Å
773L39.5Very low38.6Very low150 Ų150108.7 Ų108.779%0.78556%0.557SS**THydrogen-bonded Turntrans-90.8-15.4177.1-65.6169000113.5L771 S775L771-L773 PolarHBondContact O-N 2.93Å; L771-L773 VanDerWaalsContact O-N 3.13Å; L773-S775 PolarHBondContact O-N 3.47Å
774D40.3Very low37Very low44 Ų44114.7 Ų114.724%0.23559%0.585CS.*SBendtrans-73.4123.4-176.6-152.1-5.5000109.4E770 L771 I776 W777 R926E770-D774 PolarHBondContact O-N 3.5Å; L771-D774 PolarHBondContact O-N 3.42Å; D774-I776 PolarHBondContact O-N 3.21Å; D774-W777 PolarHBondContact O-N 3.28Å; D774-R926 IonicContact OD1-NH2 2.87Å; D774-R926 IonicContact OD2-NH2 3.26Å; D774-R926 PolarHBondContact OD2-NH2 3.43Å; D774-R926 VanDerWaalsContact OD2-NH2 3.14Å
775S38.1Very low35.6Very low94 Ų94123.2 Ų123.266%0.65762%0.615SS**G310 helixtrans-56.8-17.2-171.8-50.60000113.5L773 W777 K778L773-S775 PolarHBondContact O-N 3.47Å; S775-W777 VanDerWaalsContact C-N 3.31Å; S775-W777 PolarHBondContact O-N 3.28Å; S775-K778 PolarHBondContact O-N 3.46Å
776I41.7Very low34.4Very low62 Ų62123.3 Ų123.332%0.31862%0.623SS.*G310 helixtrans-65.8-28.1177.5-62.7177.3000112.6D774 K778 I878 L883D774-I776 PolarHBondContact O-N 3.21Å; I776-K778 VanDerWaalsContact C-N 3.33Å; I776-I878 HydrophobicContact CD1-CG2 4.36Å; I776-L883 HydrophobicContact CD1-CD1 4.48Å; I776-L883 HydrophobicContact CG2-CD1 4.01Å
777W40.7Very low33.3Very low95 Ų95127.9 Ų127.936%0.3665%0.648SS.*G310 helixtrans-86.1-4.6-178.3-56.894.7000113.8R736 L771 D774 S775 S779 L929R736-W777 VanDerWaalsContact NH2-CE3 3.27Å; L771-W777 HydrophobicContact CB-CZ2 4.39Å; L771-W777 HydrophobicContact CD1-CZ2 4.28Å; L771-W777 HydrophobicContact CD2-CZ2 4Å; L771-W777 HydrophobicContact CG-CZ2 4.46Å; L771-W777 PolarHBondContact O-NE1 3.1Å; L771-W777 VanDerWaalsContact O-NE1 3.14Å; D774-W777 PolarHBondContact O-N 3.28Å; S775-W777 VanDerWaalsContact C-N 3.31Å; S775-W777 PolarHBondContact O-N 3.28Å; W777-S779 PolarHBondContact O-N 3.33Å; W777-L929 HydrophobicContact CZ2-CD1 4.5Å
778K33Very low32.6Very low171 Ų171127.5 Ų127.574%0.74365%0.654SS**SBendtrans-70.8105.7166.6-73.4-176178.8176.50107.3S775 I776 E780S775-K778 PolarHBondContact O-N 3.46Å; I776-K778 VanDerWaalsContact C-N 3.33Å; K778-E780 PolarHBondContact O-N 2.92Å; K778-E780 VanDerWaalsContact O-N 3.1Å
779S32Very low32Very low110 Ų110129.2 Ų129.277%0.76967%0.666SS**  trans-41119.9166.852.60000108.6W777 H781W777-S779 PolarHBondContact O-N 3.33Å; S779-H781 PolarHBondContact O-N 2.79Å
780E30.5Very low31.4Very low180 Ų180129.8 Ų129.884%0.84167%0.669SS**SBendtrans-42.9118.1177.9-69.5178.5160.800109.7K778K778-E780 PolarHBondContact O-N 2.92Å; K778-E780 VanDerWaalsContact O-N 3.1Å
781H28.9Very low30.8Very low157 Ų157132.4 Ų132.473%0.72768%0.678SS**  trans36.194150.5-66.1-82.4000115.3S779S779-H781 PolarHBondContact O-N 2.79Å
782E23.4Very low30.3Very low172 Ų172134.8 Ų134.880%0.80471%0.706SS**  trans-47.6130.3130.5-78-166.615600106I784E782-I784 PolarHBondContact O-N 3.45Å
783P25.7Very low29.7Very low121 Ų121137 Ų13779%0.78671%0.713SS**  trans-66.888.4177.627.8-31.4000106.2R785P783-R785 VanDerWaalsContact C-N 3.34Å; P783-R785 PolarHBondContact O-N 2.91Å
784I24.9Very low29Very low137 Ų137138.9 Ų138.970%0.70371%0.714SS**  trans-55.8108171.7-64.2172.1000103.4E782 V786E782-I784 PolarHBondContact O-N 3.45Å; I784-V786 PolarHBondContact O-N 3.41Å
785R23.9Very low28.4Very low226 Ų226143.8 Ų143.885%0.85374%0.741SS**  trans-39.4106.8172.8-77.1176.4171.5176.6-2.9106.9P783 L787P783-R785 VanDerWaalsContact C-N 3.34Å; P783-R785 PolarHBondContact O-N 2.91Å; R785-L787 PolarHBondContact O-N 3.48Å
786V25.5Very low27.9Very low129 Ų129147.7 Ų147.778%0.78275%0.753SS**  trans-61.394.2173.2176.50000105I784 C788I784-V786 PolarHBondContact O-N 3.41Å; V786-C788 VanDerWaalsContact C-N 3.34Å; V786-C788 PolarHBondContact O-N 3.11Å
787L24.3Very low27Very low151 Ų151149.7 Ų149.779%0.79177%0.773SS**  trans-66102.6165.5-103.4129.7000105R785 I789R785-L787 PolarHBondContact O-N 3.48Å; L787-I789 PolarHBondContact O-N 2.77Å
788C22.7Very low26.3Very low110 Ų110152.3 Ų152.374%0.74379%0.793SS**  trans-52.9103171.7-61.80000109V786 D790V786-C788 VanDerWaalsContact C-N 3.34Å; V786-C788 PolarHBondContact O-N 3.11Å; C788-D790 PolarHBondContact O-N 3.34Å
789I26Very low26.1Very low163 Ų163151 Ų15184%0.83680%0.799SS**  trans-91.687.7163.5-59.4177.6000105.8L787L787-I789 PolarHBondContact O-N 2.77Å
790D23.6Very low25.7Very low134 Ų134151.2 Ų151.272%0.71779%0.792SS**  trans-69138168.7-102.6-25000110.1C788C788-D790 PolarHBondContact O-N 3.34Å
791K26.4Very low25.4Very low192 Ų192149.6 Ų149.684%0.83579%0.789SS**  trans75.888.7158.7-60.6170.3-178.2174.20118.1
792A26.7Very low25.2Very low104 Ų104148.4 Ų148.486%0.8679%0.792SS**  trans-150.745141.800000111.7K794A792-K794 PolarHBondContact O-N 3.4Å
793E25.1Very low25.3Very low176 Ų176147 Ų14782%0.82280%0.796SS**  trans-81.897.5163-79.5-173.7163.200109
794K26.3Very low25.2Very low188 Ų188146.7 Ų146.782%0.81779%0.792SS**  trans175.3132.2140.3-97.7163.8-173.8-177.90109.6A792A792-K794 PolarHBondContact O-N 3.4Å
795N26.8Very low25.2Very low148 Ų148148 Ų14879%0.79180%0.799SS**  trans86.595.4169.3-45.7-28.5000114.7
796L26.9Very low25.1Very low175 Ų175142.8 Ų142.892%0.91679%0.792SS**  trans-163.491.3130.6-100150.9000109.1
797S24.7Very low25Very low105 Ų105142.3 Ų142.373%0.73479%0.789SS**  trans-64.7131.5164.648.20000111.2
798L26.1Very low24.9Very low150 Ų150140.5 Ų140.579%0.78579%0.789SS**  trans40.496142.8-149.483.2000117.6
799V27.5Very low25Very low142 Ų142146.4 Ų146.486%0.86180%0.796SS**  trans-125.7114152.7179.50000108.7
800N23.7Very low24.9Very low116 Ų116144.5 Ų144.562%0.6279%0.791SS**  trans-71.3150.7175.2-76.8-28.7000111.6
801N25.3Very low25Very low146 Ų146146.8 Ų146.878%0.78180%0.8SS**  trans63.293.5152.8-60.2-12.6000117.5
802T24.8Very low25.1Very low131 Ų131142.8 Ų142.880%0.80479%0.791SS**  -162.6120.3128.717.40000109.1T804T802-T804 VanDerWaalsContact C-N 3.31Å; T802-T804 PolarHBondContact O-N 2.96Å
803T24.8Very low25Very low142 Ų142144.2 Ų144.287%0.87179%0.785SS**  trans-7081.5176.942.70000110.4
804T23.8Very low25.1Very low115 Ų115145.3 Ų145.371%0.70679%0.79SS**  trans-106.996.9160.345.10000108T802 V806T802-T804 VanDerWaalsContact C-N 3.31Å; T802-T804 PolarHBondContact O-N 2.96Å; T804-V806 VanDerWaalsContact C-N 3.29Å; T804-V806 PolarHBondContact O-N 3.09Å
805I23.8Very low25.2Very low166 Ų166142.8 Ų142.885%0.85179%0.791SS**  trans-7089.7173.4-60.3170.4000106.8
806V21.8Very low25Very low116 Ų116142.4 Ų142.470%0.70379%0.789SS**  trans-99.9115.2167.6177.70000106.8T804T804-V806 VanDerWaalsContact C-N 3.29Å; T804-V806 PolarHBondContact O-N 3.09Å
807T23.3Very low24.9Very low119 Ų119143.3 Ų143.373%0.7379%0.785SS**SBendtrans-52.1142.2168.843.10000110.6
808S23.5Very low24.9Very low112 Ų112144.1 Ų144.178%0.78379%0.786SS**  trans78.475.9-178.977.20000116.1
809R23.2Very low24.9Very low235 Ų235148.5 Ų148.589%0.88779%0.793SS**  trans-101.1101.5154.1-119.6179.4-177.7172.40.9108.2M811R809-M811 PolarHBondContact O-N 2.75Å; R809-M811 VanDerWaalsContact O-N 3.1Å
810V25.2Very low24.8Very low122 Ų122149.7 Ų149.774%0.73979%0.789SS**  trans-58.6105.7166.2177.60000107.3T812V810-T812 HydrophobicContact CG1-CG2 4.14Å; V810-T812 PolarHBondContact O-N 3.26Å
811M25Very low24.9Very low183 Ų183152.6 Ų152.690%0.90180%0.799SS**  trans-77.198.7170.9-82.3-93.5176.100108.1R809R809-M811 PolarHBondContact O-N 2.75Å; R809-M811 VanDerWaalsContact O-N 3.1Å
812T28Very low25Very low107 Ų107149 Ų14966%0.65679%0.785SS**  trans-82.1144.2165.5500000110.2V810V810-T812 HydrophobicContact CG1-CG2 4.14Å; V810-T812 PolarHBondContact O-N 3.26Å
813N26Very low25.3Very low135 Ų135147.5 Ų147.572%0.72277%0.773SS**  trans91.391.3166.5-59.8-8.6000117.5
814Q25.7Very low26.3Very low198 Ų198145.1 Ų145.193%0.92575%0.748SS**  -173.770.4123.6-97.2172.525.800109.1N816Q814-N816 PolarHBondContact O-N 3.47Å
815T29Very low27.5Very low136 Ų136144.1 Ų144.183%0.83474%0.744SS**  trans-81.791.6166.249.40000108.5
816N23.4Very low29Very low140 Ų140137.6 Ų137.675%0.74971%0.71SS**  trans-154.9103.2155.7-95.6-22.7000109.9Q814Q814-N816 PolarHBondContact O-N 3.47Å
817F25.3Very low31Very low194 Ų194136.1 Ų136.185%0.85170%0.703SS**SBendtrans4882.6150.2-68.7-85.9000119.3
818V24.6Very low33.2Very low122 Ų122131.3 Ų131.374%0.73967%0.672SS**  trans-155.487.1134.9-171.60000109.4
819Y25.1Very low35.6Very low241 Ų241135 Ų13595%0.94567%0.669SS**  trans-91.524.6166.8-103.1-79.9000112.4
820H24.9Very low38.2Very low167 Ų167127.6 Ų127.677%0.77364%0.644SS**  trans-122.677.8178.9-80-62.5000111
821Q26Very low40.6Very low177 Ų177128.2 Ų128.283%0.82764%0.639SS**  trans-176.1103147.6-104.4162.67.200108.9N823Q821-N823 PolarHBondContact O-N 3.27Å
822S28.8Very low43.2Very low71 Ų71123.9 Ų123.950%0.49762%0.617SS.*  trans-74.142.8-177.8480000113.7Y673Y673-S822 WeakPolarHBondContact CD1-O 3.32Å; Y673-S822 WeakPolarHBondContact CD1-OG 3.02Å; Y673-S822 WeakPolarHBondContact CE1-O 3.06Å
823N31Very low45.8Very low100 Ų100118.8 Ų118.854%0.53559%0.586SS.*  trans-90.3114.5152.4-91.9-38.3000104.5Y673 Q821 P825Y673-N823 VanDerWaalsContact CE1-OD1 3.22Å; Y673-N823 WeakPolarHBondContact CE1-OD1 3.49Å; Y673-N823 PolarHBondContact OH-OD1 2.71Å; Q821-N823 PolarHBondContact O-N 3.27Å; N823-P825 WeakPolarHBondContact O-CD 3.4Å
824Y45.8Very low48.5Very low92 Ų92115 Ų11536%0.36157%0.565SS.*  trans-52.6114.8152.5-63.7-65.4000104L826 F881Y824-L826 PolarHBondContact O-N 2.85Å; Y824-F881 HydrophobicContact CD1-CB 3.57Å; Y824-F881 AromaticContact CD1-CD1 3.4Å; Y824-F881 HydrophobicContact CD1-CD1 3.4Å; Y824-F881 HydrophobicContact CD1-CD2 4.14Å; Y824-F881 HydrophobicContact CD1-CE1 4.1Å; Y824-F881 AromaticContact CD1-CG 3.42Å; Y824-F881 HydrophobicContact CD1-CG 3.42Å; Y824-F881 VanDerWaalsContact CD1-CG 3.42Å; Y824-F881 HydrophobicContact CE1-CB 3.66Å; Y824-F881 AromaticContact CE1-CD1 3.84Å; Y824-F881 HydrophobicContact CE1-CD1 3.84Å; Y824-F881 AromaticContact CE1-CG 3.95Å; Y824-F881 HydrophobicContact CE1-CG 3.95Å; Y824-F881 HydrophobicContact CG-CB 4.49Å; Y824-F881 HydrophobicContact CG-CG 4.34Å
825P48.1Very low51.2Low94 Ų94110.9 Ų110.961%0.6155%0.546SS*.  trans-74.858.5-174.333-35.3000108.4N823 F881N823-P825 WeakPolarHBondContact O-CD 3.4Å; P825-F881 VanDerWaalsContact CD-CZ 3.45Å; P825-F881 HydrophobicContact CG-CZ 3.91Å
826L56.3Low53.8Low29 Ų29104.6 Ų104.615%0.15251%0.508CS..  trans-69.2124162.4-82.6145.1000105.4Y824 F828 L874 S877 C885 F889Y824-L826 PolarHBondContact O-N 2.85Å; L826-F828 HydrophobicContact CD2-CZ 4.42Å; L826-F828 PolarHBondContact O-N 3.49Å; L826-L874 HydrophobicContact CD2-CD2 3.81Å; L826-S877 VanDerWaalsContact CD2-OG 3.3Å; L826-S877 WeakPolarHBondContact CD2-OG 3.18Å; L826-C885 HydrophobicContact CD1-CB 4.22Å; L826-F889 HydrophobicContact CD1-CE2 4.02Å; L826-F889 HydrophobicContact CD1-CZ 4.47Å
827P62Low56.6Low84 Ų8497.9 Ų97.955%0.54547%0.472SS..SBendtrans-67.8-3-173.418.2-23.7000113.7
828F70.5Confident59.4Low19 Ų1991.9 Ų91.98%0.08345%0.447CS..SBendtrans-146.5155.1-174.255.5-89.3000113.3L826 Q832 L833 M870 Q873 L874 F889L826-F828 HydrophobicContact CD2-CZ 4.42Å; L826-F828 PolarHBondContact O-N 3.49Å; F828-Q832 HydrophobicContact CB-CB 4.13Å; F828-L833 HydrophobicContact CD2-CB 4.4Å; F828-L833 HydrophobicContact CE2-CB 4.39Å; F828-L833 HydrophobicContact CE2-CD1 4.36Å; F828-M870 HydrophobicContact CB-SD 4.45Å; F828-M870 HydrophobicContact CD1-CB 4.44Å; F828-M870 HydrophobicContact CD1-CG 3.81Å; F828-M870 HydrophobicContact CD1-SD 4.19Å; F828-M870 HydrophobicContact CD2-CG 4.41Å; F828-M870 HydrophobicContact CD2-SD 4.07Å; F828-M870 HydrophobicContact CE1-CB 3.88Å; F828-M870 HydrophobicContact CE1-CG 3.71Å; F828-M870 HydrophobicContact CE2-CB 4.14Å; F828-M870 HydrophobicContact CE2-CG 4.32Å; F828-M870 HydrophobicContact CE2-SD 4.39Å; F828-M870 HydrophobicContact CG-CG 4.18Å; F828-M870 HydrophobicContact CG-SD 3.97Å; F828-M870 HydrophobicContact CZ-CB 3.71Å; F828-M870 HydrophobicContact CZ-CG 3.98Å; F828-M870 WeakPolarHBondContact CZ-O 3.18Å; F828-Q873 HydrophobicContact CE1-CB 4Å; F828-Q873 HydrophobicContact CZ-CB 4.45Å; F828-L874 HydrophobicContact CE2-CD2 4.32Å; F828-L874 HydrophobicContact CE2-CG 4.31Å; F828-L874 HydrophobicContact CZ-CD2 4.24Å; F828-L874 HydrophobicContact CZ-CG 3.99Å; F828-F889 HydrophobicContact CD2-CE1 4.14Å; F828-F889 HydrophobicContact CD2-CZ 4.46Å; F828-F889 AromaticContact CE2-CE1 3.94Å; F828-F889 HydrophobicContact CE2-CE1 3.94Å; F828-F889 HydrophobicContact CE2-CZ 4.19Å
829R73.8Confident62.1Low190 Ų19090.2 Ų90.272%0.71743%0.431SS*.  trans-90.3163.9177.3-66.5-173.5178.5-175.4-0.5112.2E831 Q832 L833R829-E831 VanDerWaalsContact C-N 3.26Å; R829-E831 PolarHBondContact O-N 3.17Å; R829-Q832 WeakPolarHBondContact O-CB 3.29Å; R829-Q832 PolarHBondContact O-N 3.02Å; R829-L833 PolarHBondContact O-N 3.49Å
830E76.8Confident64.6Low79 Ų7978.8 Ų78.837%0.36939%0.386SS..Hα-helixtrans-47.6-47.6172.8-67.3172.8-146.400112.3Q832 L833 N834 N888 F889 I892E830-Q832 VanDerWaalsContact C-N 3.28Å; E830-Q832 PolarHBondContact O-N 2.9Å; E830-L833 PolarHBondContact O-N 3.17Å; E830-N834 PolarHBondContact O-N 2.84Å; E830-N888 HydrophobicContact CG-CB 3.99Å; E830-N888 WeakPolarHBondContact CG-O 3.47Å; E830-N888 WeakPolarHBondContact OE1-CB 3.33Å; E830-F889 HydrophobicContact CG-CD1 4.19Å; E830-F889 HydrophobicContact CG-CE1 4.22Å; E830-I892 HydrophobicContact CB-CD1 3.68Å; E830-I892 HydrophobicContact CG-CD1 4.42Å; E830-I892 VanDerWaalsContact O-CD1 3.23Å; E830-I892 WeakPolarHBondContact O-CD1 3.48Å
831E75.6Confident67.2Low134 Ų13471.2 Ų71.263%0.62635%0.351SS*.Hα-helixtrans-59.2-36.7178.8-65.8175.2-178.500112.9R829 N834 Q835R829-E831 VanDerWaalsContact C-N 3.26Å; R829-E831 PolarHBondContact O-N 3.17Å; E831-N834 PolarHBondContact O-N 3.28Å; E831-Q835 WeakPolarHBondContact O-CB 3.42Å; E831-Q835 WeakPolarHBondContact O-CG 3.25Å; E831-Q835 PolarHBondContact O-N 3.11Å
832Q80.6Confident69.7Low93 Ų9365.2 Ų65.244%0.43533%0.329SS..Hα-helixtrans-72.3-37.5-179.8-69176.7-38.300111.6F828 R829 E830 A836F828-Q832 HydrophobicContact CB-CB 4.13Å; R829-Q832 WeakPolarHBondContact O-CB 3.29Å; R829-Q832 PolarHBondContact O-N 3.02Å; E830-Q832 VanDerWaalsContact C-N 3.28Å; E830-Q832 PolarHBondContact O-N 2.9Å; Q832-A836 WeakPolarHBondContact O-CB 3.39Å; Q832-A836 PolarHBondContact O-N 3.38Å
833L82.8Confident71.8Confident0 Ų065.3 Ų65.30%032%0.32CS..Hα-helixtrans-63.2-46.2172.5-175.870.8000110.4F828 R829 E830 A836 F837 L867 M870 L874 F889 I892 L893F828-L833 HydrophobicContact CD2-CB 4.4Å; F828-L833 HydrophobicContact CE2-CB 4.39Å; F828-L833 HydrophobicContact CE2-CD1 4.36Å; R829-L833 PolarHBondContact O-N 3.49Å; E830-L833 PolarHBondContact O-N 3.17Å; L833-A836 PolarHBondContact O-N 3.34Å; L833-F837 HydrophobicContact CD1-CD2 4.32Å; L833-F837 HydrophobicContact CD1-CE2 3.91Å; L833-F837 HydrophobicContact CD2-CE2 4.14Å; L833-F837 HydrophobicContact CG-CD2 3.98Å; L833-F837 HydrophobicContact CG-CE2 3.77Å; L833-F837 VanDerWaalsContact O-CD2 3.27Å; L833-F837 WeakPolarHBondContact O-CD2 3.43Å; L833-F837 PolarHBondContact O-N 3.46Å; L833-L867 HydrophobicContact CD1-CD1 4.47Å; L833-M870 HydrophobicContact CD1-CB 4.13Å; L833-L874 HydrophobicContact CD1-CD1 4.39Å; L833-L874 HydrophobicContact CD2-CD1 3.96Å; L833-F889 HydrophobicContact CB-CD1 4.26Å; L833-F889 HydrophobicContact CB-CE1 4.41Å; L833-F889 HydrophobicContact CD2-CB 4.14Å; L833-F889 HydrophobicContact CD2-CD1 3.53Å; L833-F889 HydrophobicContact CD2-CE1 4.33Å; L833-F889 HydrophobicContact CD2-CG 4.17Å; L833-I892 HydrophobicContact CD2-CG2 4.23Å; L833-I892 HydrophobicContact CG-CG2 4.4Å; L833-L893 HydrophobicContact CD2-CD2 4.23Å
834N82.4Confident73.7Confident56 Ų5662.5 Ų62.530%0.29931%0.305SS..Hα-helixtrans-63-43.7178.5-164.931.3000111.9E830 E831 A836 F837 E838 I892 Q896E830-N834 PolarHBondContact O-N 2.84Å; E831-N834 PolarHBondContact O-N 3.28Å; N834-A836 VanDerWaalsContact C-N 3.29Å; N834-A836 PolarHBondContact O-N 3.11Å; N834-F837 PolarHBondContact O-N 3.25Å; N834-E838 PolarHBondContact O-N 3.13Å; N834-I892 HydrophobicContact CB-CD1 4.07Å; N834-I892 HydrophobicContact CB-CG1 4.22Å; N834-I892 HydrophobicContact CB-CG2 3.95Å; N834-Q896 WeakPolarHBondContact OD1-CG 3.44Å; N834-Q896 PolarHBondContact OD1-NE2 2.85Å
835Q83Confident74.8Confident110 Ų11060.3 Ų60.351%0.51430%0.303SS..Hα-helixtrans-59.5-40.3174.4-77.5173.1600111.9E831 E838 Q839E831-Q835 WeakPolarHBondContact O-CB 3.42Å; E831-Q835 WeakPolarHBondContact O-CG 3.25Å; E831-Q835 PolarHBondContact O-N 3.11Å; Q835-E838 PolarHBondContact O-N 3.36Å; Q835-Q839 WeakPolarHBondContact O-CB 3.33Å; Q835-Q839 WeakPolarHBondContact O-CG 3.44Å; Q835-Q839 PolarHBondContact O-N 3.34Å
836A82Confident75.7Confident4 Ų460 Ų603%0.03330%0.296CS..Hα-helixtrans-68-38177.500000112.8Q832 L833 N834 V840 L867 M870Q832-A836 WeakPolarHBondContact O-CB 3.39Å; Q832-A836 PolarHBondContact O-N 3.38Å; L833-A836 PolarHBondContact O-N 3.34Å; N834-A836 VanDerWaalsContact C-N 3.29Å; N834-A836 PolarHBondContact O-N 3.11Å; A836-V840 WeakPolarHBondContact O-CG2 3.37Å; A836-V840 PolarHBondContact O-N 3.12Å; A836-L867 HydrophobicContact CB-CD1 4.25Å; A836-M870 HydrophobicContact CB-CE 3.11Å; A836-M870 HydrophobicContact CB-SD 4.47Å
837F83.8Confident75.8Confident0 Ų060.3 Ų60.30%030%0.3CS..Hα-helixtrans-60.9-50.9169.5-83.9-71.5000111.4L833 N834 Q839 V840 I841 L867 I871 I892 L893 Q896 L900 M920L833-F837 HydrophobicContact CD1-CD2 4.32Å; L833-F837 HydrophobicContact CD1-CE2 3.91Å; L833-F837 HydrophobicContact CD2-CE2 4.14Å; L833-F837 HydrophobicContact CG-CD2 3.98Å; L833-F837 HydrophobicContact CG-CE2 3.77Å; L833-F837 VanDerWaalsContact O-CD2 3.27Å; L833-F837 WeakPolarHBondContact O-CD2 3.43Å; L833-F837 PolarHBondContact O-N 3.46Å; N834-F837 PolarHBondContact O-N 3.25Å; F837-Q839 PolarHBondContact O-N 3.31Å; F837-V840 PolarHBondContact O-N 3.14Å; F837-I841 HydrophobicContact CB-CD1 4.36Å; F837-I841 VanDerWaalsContact O-CB 3.3Å; F837-I841 WeakPolarHBondContact O-CB 3.43Å; F837-I841 WeakPolarHBondContact O-CD1 3.37Å; F837-I841 VanDerWaalsContact O-CG1 3.22Å; F837-I841 WeakPolarHBondContact O-CG1 3.32Å; F837-I841 PolarHBondContact O-N 2.79Å; F837-L867 HydrophobicContact CD1-CD1 4.04Å; F837-L867 HydrophobicContact CD1-CD2 4.04Å; F837-L867 HydrophobicContact CD2-CD1 4.11Å; F837-L867 HydrophobicContact CE1-CD1 4.04Å; F837-L867 HydrophobicContact CE1-CD2 4.13Å; F837-L867 HydrophobicContact CE2-CD1 4.1Å; F837-L867 HydrophobicContact CG-CD1 4.08Å; F837-L867 HydrophobicContact CZ-CD1 4.07Å; F837-I871 HydrophobicContact CZ-CD1 4.32Å; F837-I892 HydrophobicContact CD2-CG2 4.1Å; F837-I892 HydrophobicContact CE2-CG2 4.39Å; F837-L893 HydrophobicContact CE2-CD2 4.19Å; F837-L893 HydrophobicContact CZ-CD2 4.22Å; F837-Q896 HydrophobicContact CB-CB 3.77Å; F837-Q896 HydrophobicContact CB-CG 3.81Å; F837-Q896 HydrophobicContact CD1-CB 3.71Å; F837-Q896 HydrophobicContact CD2-CB 3.79Å; F837-Q896 HydrophobicContact CD2-CG 4.18Å; F837-Q896 HydrophobicContact CE1-CB 4.17Å; F837-Q896 HydrophobicContact CE2-CB 4.25Å; F837-Q896 HydrophobicContact CG-CB 3.5Å; F837-Q896 VanDerWaalsContact CG-CB 3.5Å; F837-Q896 HydrophobicContact CG-CG 4.01Å; F837-Q896 HydrophobicContact CZ-CB 4.41Å; F837-L900 HydrophobicContact CD1-CD2 4.2Å; F837-L900 HydrophobicContact CE1-CD2 3.98Å; F837-M920 HydrophobicContact CE1-CE 4.18Å; F837-M920 HydrophobicContact CZ-CE 3.66Å; F837-M920 HydrophobicContact CZ-SD 4.35Å
838E83.5Confident75.5Confident68 Ų6861.6 Ų61.632%0.31830%0.301SS..Hα-helixtrans-63.5-36.6-179.3-73.1-62.1158.900112.9N834 Q835 I841 S842 Q896 K899N834-E838 PolarHBondContact O-N 3.13Å; Q835-E838 PolarHBondContact O-N 3.36Å; E838-I841 PolarHBondContact O-N 2.87Å; E838-S842 VanDerWaalsContact O-CB 3.23Å; E838-S842 WeakPolarHBondContact O-CB 3.43Å; E838-S842 PolarHBondContact O-N 3.26Å; E838-S842 PolarHBondContact O-OG 2.9Å; E838-Q896 PolarHBondContact OE1-NE2 2.83Å; E838-Q896 PolarHBondContact OE1-OE1 2.97Å; E838-K899 VanDerWaalsContact CD-NZ 3.28Å; E838-K899 IonicContact OE1-NZ 2.87Å; E838-K899 PolarHBondContact OE1-NZ 3.31Å; E838-K899 IonicContact OE2-NZ 2.79Å; E838-K899 PolarHBondContact OE2-NZ 3.29Å; E838-K899 VanDerWaalsContact OE2-NZ 3.07Å
839Q81.5Confident74.7Confident86 Ų8668.5 Ų68.540%0.40233%0.334SS..Hα-helixtrans-63.6-43.1174.6-77.5173.42.600112Q835 F837 S842 K843 L863Q835-Q839 WeakPolarHBondContact O-CB 3.33Å; Q835-Q839 WeakPolarHBondContact O-CG 3.44Å; Q835-Q839 PolarHBondContact O-N 3.34Å; F837-Q839 PolarHBondContact O-N 3.31Å; Q839-S842 PolarHBondContact O-OG 2.82Å; Q839-K843 WeakPolarHBondContact O-CB 3.47Å; Q839-K843 WeakPolarHBondContact O-CG 3.44Å; Q839-K843 PolarHBondContact O-N 2.73Å; Q839-L863 HydrophobicContact CB-CD1 4.41Å; Q839-L863 HydrophobicContact CB-CD2 4.37Å
840V78.1Confident73.6Confident2 Ų265.2 Ų65.21%0.01233%0.326CS..Hα-helixtrans-67.9-44.9176.3172.10000110.3A836 F837 L844 L863 L867 L900A836-V840 WeakPolarHBondContact O-CG2 3.37Å; A836-V840 PolarHBondContact O-N 3.12Å; F837-V840 PolarHBondContact O-N 3.14Å; V840-L844 HydrophobicContact CG1-CD1 3.73Å; V840-L844 HydrophobicContact CG1-CG 4.36Å; V840-L844 WeakPolarHBondContact O-CB 3.36Å; V840-L844 VanDerWaalsContact O-CG 3.23Å; V840-L844 WeakPolarHBondContact O-CG 3.46Å; V840-L844 PolarHBondContact O-N 2.81Å; V840-L863 HydrophobicContact CG2-CB 4.03Å; V840-L867 HydrophobicContact CB-CD2 4.33Å; V840-L867 HydrophobicContact CG1-CD2 4.39Å; V840-L867 HydrophobicContact CG2-CB 4.36Å; V840-L867 HydrophobicContact CG2-CD2 4.04Å; V840-L900 HydrophobicContact CG1-CD1 3.81Å
841I77.7Confident72.2Confident7 Ų767.4 Ų67.44%0.03635%0.348CS..Hα-helixtrans-64.3-48.1-178.4-75.3166.2000112F837 E838 K843 L844 S845 K899 L900 L903F837-I841 HydrophobicContact CB-CD1 4.36Å; F837-I841 VanDerWaalsContact O-CB 3.3Å; F837-I841 WeakPolarHBondContact O-CB 3.43Å; F837-I841 WeakPolarHBondContact O-CD1 3.37Å; F837-I841 VanDerWaalsContact O-CG1 3.22Å; F837-I841 WeakPolarHBondContact O-CG1 3.32Å; F837-I841 PolarHBondContact O-N 2.79Å; E838-I841 PolarHBondContact O-N 2.87Å; I841-K843 VanDerWaalsContact C-N 3.35Å; I841-K843 PolarHBondContact O-N 3.2Å; I841-L844 PolarHBondContact O-N 3.17Å; I841-S845 PolarHBondContact O-N 3.46Å; I841-S845 PolarHBondContact O-OG 2.88Å; I841-K899 HydrophobicContact CD1-CB 4.32Å; I841-K899 HydrophobicContact CD1-CD 3.85Å; I841-K899 HydrophobicContact CD1-CG 3.98Å; I841-K899 HydrophobicContact CG2-CD 4.5Å; I841-L900 HydrophobicContact CD1-CB 4.43Å; I841-L900 HydrophobicContact CG1-CB 4.47Å; I841-L900 HydrophobicContact CG1-CD1 3.97Å; I841-L903 HydrophobicContact CB-CD1 4.09Å; I841-L903 HydrophobicContact CG1-CD1 3.93Å; I841-L903 HydrophobicContact CG2-CD1 3.51Å
842S78.7Confident70.5Confident51 Ų5165.7 Ų65.736%0.35735%0.347SS..Hα-helixtrans-62.7-39179.755.50000112.6E838 Q839 S845 I846E838-S842 VanDerWaalsContact O-CB 3.23Å; E838-S842 WeakPolarHBondContact O-CB 3.43Å; E838-S842 PolarHBondContact O-N 3.26Å; E838-S842 PolarHBondContact O-OG 2.9Å; Q839-S842 PolarHBondContact O-OG 2.82Å; S842-S845 WeakPolarHBondContact CA-OG 3.39Å; S842-S845 PolarHBondContact O-OG 3.39Å; S842-I846 WeakPolarHBondContact O-CD1 3.45Å; S842-I846 VanDerWaalsContact O-CG1 3.23Å; S842-I846 WeakPolarHBondContact O-CG1 3.47Å; S842-I846 PolarHBondContact O-N 3.16Å
843K73.4Confident69Low73 Ų7365.5 Ų65.532%0.31735%0.352SS..Hα-helixtrans-71-36.6175.4-73.3-76.7-176.2168.30112.4Q839 I841 S847 E859 I860 L863Q839-K843 WeakPolarHBondContact O-CB 3.47Å; Q839-K843 WeakPolarHBondContact O-CG 3.44Å; Q839-K843 PolarHBondContact O-N 2.73Å; I841-K843 VanDerWaalsContact C-N 3.35Å; I841-K843 PolarHBondContact O-N 3.2Å; K843-S847 PolarHBondContact O-N 3.43Å; K843-S847 PolarHBondContact O-OG 2.87Å; K843-E859 IonicContact NZ-OE2 2.71Å; K843-E859 PolarHBondContact NZ-OE2 3.3Å; K843-I860 HydrophobicContact CB-CG1 4.05Å; K843-L863 HydrophobicContact CG-CD1 4.16Å
844L71.4Confident67.4Low41 Ų4172.4 Ų72.422%0.21539%0.388CS..Hα-helixtrans-66.9-41.8174.2-75.6172.4000111.9V840 I841 I846 S847 I848 L900 L910V840-L844 HydrophobicContact CG1-CD1 3.73Å; V840-L844 HydrophobicContact CG1-CG 4.36Å; V840-L844 WeakPolarHBondContact O-CB 3.36Å; V840-L844 VanDerWaalsContact O-CG 3.23Å; V840-L844 WeakPolarHBondContact O-CG 3.46Å; V840-L844 PolarHBondContact O-N 2.81Å; I841-L844 PolarHBondContact O-N 3.17Å; L844-I846 PolarHBondContact O-N 3.21Å; L844-S847 PolarHBondContact O-N 3.14Å; L844-I848 WeakPolarHBondContact O-CG1 3.41Å; L844-I848 PolarHBondContact O-N 2.91Å; L844-L900 HydrophobicContact CD1-CD1 3.88Å; L844-L910 HydrophobicContact CD1-CD1 4.38Å
845S69.1Low66.1Low47 Ų4775.6 Ų75.633%0.32941%0.405SS..Hα-helixtrans-63.6-41178.258.40000112.2I841 S842 S847 I848I841-S845 PolarHBondContact O-N 3.46Å; I841-S845 PolarHBondContact O-OG 2.88Å; S842-S845 WeakPolarHBondContact CA-OG 3.39Å; S842-S845 PolarHBondContact O-OG 3.39Å; S845-S847 VanDerWaalsContact C-N 3.29Å; S845-S847 PolarHBondContact O-N 3.42Å; S845-I848 PolarHBondContact O-N 3.09Å
846I66.2Low65Low88 Ų8872.6 Ų72.645%0.45139%0.392SS..Hα-helixtrans-63.1-37.6175.4-65.9163.1000111.1S842 L844 I848 E849 Q850S842-I846 WeakPolarHBondContact O-CD1 3.45Å; S842-I846 VanDerWaalsContact O-CG1 3.23Å; S842-I846 WeakPolarHBondContact O-CG1 3.47Å; S842-I846 PolarHBondContact O-N 3.16Å; L844-I846 PolarHBondContact O-N 3.21Å; I846-I848 VanDerWaalsContact C-N 3.28Å; I846-I848 PolarHBondContact O-N 3.02Å; I846-E849 PolarHBondContact O-N 3.12Å; I846-Q850 PolarHBondContact O-N 3.47Å
847S58.3Low64Low35 Ų3576.2 Ų76.225%0.24541%0.411CS..Hα-helixtrans-67.6-27.3-179.3-59.30000113.2K843 L844 S845 Q850K843-S847 PolarHBondContact O-N 3.43Å; K843-S847 PolarHBondContact O-OG 2.87Å; L844-S847 PolarHBondContact O-N 3.14Å; S845-S847 VanDerWaalsContact C-N 3.29Å; S845-S847 PolarHBondContact O-N 3.42Å; S847-Q850 CarbonylContact O-C 3.59Å
848I56.3Low63.2Low110 Ų11079.7 Ų79.756%0.56444%0.439SS*.Hα-helixtrans-72-32.2176.7-65.7165.4000110.9L844 S845 I846 L903L844-I848 WeakPolarHBondContact O-CG1 3.41Å; L844-I848 PolarHBondContact O-N 2.91Å; S845-I848 PolarHBondContact O-N 3.09Å; I846-I848 VanDerWaalsContact C-N 3.28Å; I846-I848 PolarHBondContact O-N 3.02Å; I848-L903 WeakPolarHBondContact CD1-O 3.29Å
849E54Low62.6Low164 Ų16481.4 Ų81.477%0.76645%0.447SS*.Hα-helixtrans-81.2-24.7179.9-68-176.8173.400113.4I846I846-E849 PolarHBondContact O-N 3.12Å
850Q49.6Very low62.1Low121 Ų12178.4 Ų78.457%0.56543%0.434SS*.  trans-132.291.8-178.7-64.9-175-0.800111.1I846 S847 T852I846-Q850 PolarHBondContact O-N 3.47Å; S847-Q850 CarbonylContact O-C 3.59Å; Q850-T852 PolarHBondContact O-N 2.93Å
851P48.3Very low62Low126 Ų12680.5 Ų80.582%0.81845%0.448SS*.  trans-74.914-177.328.9-33.3000114.3
852T38.9Very low62Low98 Ų9883.8 Ų83.860%0.60147%0.47SS*.  trans-104.7131.9-177.453.60000111.8Q850Q850-T852 PolarHBondContact O-N 2.93Å
853T49.4Very low62.2Low89 Ų8983.3 Ų83.355%0.54646%0.463SS..  trans98.8114.1168.177.40000117.7N855 N856T853-N855 PolarHBondContact O-N 3.01Å; T853-N856 PolarHBondContact O-N 3.37Å
854L49.7Very low62.4Low145 Ų14581.6 Ų81.676%0.75946%0.455SS*.THydrogen-bonded Turntrans-49.2-20167.8-166.772.2000113.6N856 L857L854-N856 VanDerWaalsContact C-N 3.34Å; L854-N856 PolarHBondContact O-N 3.3Å; L854-L857 HydrophobicContact CD1-CD1 4.3Å; L854-L857 PolarHBondContact O-N 3Å
855N55.1Low62.9Low122 Ų12286.8 Ų86.865%0.65248%0.475SS*.Hα-helixtrans-65.6-32.6179.7-69.7-8.9000112.9T853 L857 A858T853-N855 PolarHBondContact O-N 3.01Å; N855-L857 VanDerWaalsContact C-N 3.31Å; N855-L857 PolarHBondContact O-N 3.15Å; N855-A858 PolarHBondContact O-N 2.89Å
856N59.9Low63.6Low47 Ų4788 Ų8825%0.25148%0.479SS..Hα-helixtrans-65.9-33.9179.4-72.5-16.2000112.2T853 L854 A858 E859 I860T853-N856 PolarHBondContact O-N 3.37Å; L854-N856 VanDerWaalsContact C-N 3.34Å; L854-N856 PolarHBondContact O-N 3.3Å; N856-A858 VanDerWaalsContact C-N 3.34Å; N856-A858 PolarHBondContact O-N 2.85Å; N856-E859 PolarHBondContact O-N 3.33Å; N856-I860 WeakPolarHBondContact O-CD1 3.47Å; N856-I860 VanDerWaalsContact O-CG1 3.27Å; N856-I860 WeakPolarHBondContact O-CG1 3.44Å; N856-I860 PolarHBondContact O-N 2.89Å; N856-I860 VanDerWaalsContact O-N 3.17Å
857L61.1Low64.5Low80 Ų8083.9 Ų83.942%0.41946%0.457SS..Hα-helixtrans-66.4-35.1179.6-74.8164.3000112.6L854 N855 E859 I860 C861 F909L854-L857 HydrophobicContact CD1-CD1 4.3Å; L854-L857 PolarHBondContact O-N 3Å; N855-L857 VanDerWaalsContact C-N 3.31Å; N855-L857 PolarHBondContact O-N 3.15Å; L857-E859 VanDerWaalsContact C-N 3.31Å; L857-E859 PolarHBondContact O-N 2.85Å; L857-I860 PolarHBondContact O-N 3.49Å; L857-C861 PolarHBondContact O-N 3.1Å; L857-C861 PolarHBondContact O-SG 3.22Å; L857-F909 HydrophobicContact CD2-CD2 4.33Å; L857-F909 HydrophobicContact CD2-CE2 4.18Å
858A66.5Low65.7Low73 Ų7383.8 Ų83.860%0.60345%0.454SS*.Hα-helixtrans-65.8-34.9178.800000112N855 N856 P862N855-A858 PolarHBondContact O-N 2.89Å; N856-A858 VanDerWaalsContact C-N 3.34Å; N856-A858 PolarHBondContact O-N 2.85Å; A858-P862 WeakPolarHBondContact O-CD 3.5Å
859E70.3Confident67Low104 Ų10484.5 Ų84.549%0.48645%0.45SS..Hα-helixtrans-77.2-33.3176.4-67.4-169.7175.400113.4K843 N856 L857 P862K843-E859 IonicContact NZ-OE2 2.71Å; K843-E859 PolarHBondContact NZ-OE2 3.3Å; N856-E859 PolarHBondContact O-N 3.33Å; L857-E859 VanDerWaalsContact C-N 3.31Å; L857-E859 PolarHBondContact O-N 2.85Å; E859-P862 VanDerWaalsContact O-CD 3.29Å; E859-P862 WeakPolarHBondContact O-CD 3.22Å; E859-P862 WeakPolarHBondContact O-CG 3.48Å
860I71.6Confident68.3Low24 Ų2477.1 Ų77.112%0.12342%0.416CS..Hα-helixtrans-73-37.2-178.9-66.3163.2000111.4K843 N856 L857 L863 W864K843-I860 HydrophobicContact CB-CG1 4.05Å; N856-I860 WeakPolarHBondContact O-CD1 3.47Å; N856-I860 VanDerWaalsContact O-CG1 3.27Å; N856-I860 WeakPolarHBondContact O-CG1 3.44Å; N856-I860 PolarHBondContact O-N 2.89Å; N856-I860 VanDerWaalsContact O-N 3.17Å; L857-I860 PolarHBondContact O-N 3.49Å; I860-L863 PolarHBondContact O-N 3.31Å; I860-W864 WeakPolarHBondContact O-CB 3.17Å; I860-W864 PolarHBondContact O-N 3.37Å
861C75.7Confident70Confident46 Ų4671.4 Ų71.431%0.31139%0.389SS..Hα-helixtrans-52.4-49.2-177.7-780000115.3L857 W864 K865L857-C861 PolarHBondContact O-N 3.1Å; L857-C861 PolarHBondContact O-SG 3.22Å; C861-W864 PolarHBondContact O-N 3.03Å; C861-K865 WeakPolarHBondContact O-CG 3.4Å; C861-K865 PolarHBondContact O-N 3.16Å
862P79.5Confident71.7Confident75 Ų7568.4 Ų68.449%0.48737%0.366SS..Hα-helixtrans-66.9-40.517924.7-34.3000112.9A858 E859 W864 K865 N866A858-P862 WeakPolarHBondContact O-CD 3.5Å; E859-P862 VanDerWaalsContact O-CD 3.29Å; E859-P862 WeakPolarHBondContact O-CD 3.22Å; E859-P862 WeakPolarHBondContact O-CG 3.48Å; P862-W864 VanDerWaalsContact C-N 3.29Å; P862-W864 PolarHBondContact O-N 3.46Å; P862-K865 PolarHBondContact O-N 3.31Å; P862-N866 WeakPolarHBondContact O-CB 3.35Å; P862-N866 PolarHBondContact O-N 3.23Å
863L81.1Confident73.8Confident41 Ų4165.7 Ų65.722%0.21535%0.347CS..Hα-helixtrans-60.5-42.9176.3-64.4174.7000110.9Q839 V840 K843 I860 N866 L867Q839-L863 HydrophobicContact CB-CD1 4.41Å; Q839-L863 HydrophobicContact CB-CD2 4.37Å; V840-L863 HydrophobicContact CG2-CB 4.03Å; K843-L863 HydrophobicContact CG-CD1 4.16Å; I860-L863 PolarHBondContact O-N 3.31Å; L863-N866 WeakPolarHBondContact O-CB 3.43Å; L863-N866 PolarHBondContact O-N 3.18Å; L863-L867 PolarHBondContact O-N 3.06Å
864W79.3Confident75.3Confident37 Ų3761.5 Ų61.514%0.1432%0.321CS..Hα-helixtrans-68.2-41.5178.2-170.848.9000112.8I860 C861 P862 N866 L867 I868 F909 L910 N913I860-W864 WeakPolarHBondContact O-CB 3.17Å; I860-W864 PolarHBondContact O-N 3.37Å; C861-W864 PolarHBondContact O-N 3.03Å; P862-W864 VanDerWaalsContact C-N 3.29Å; P862-W864 PolarHBondContact O-N 3.46Å; W864-N866 VanDerWaalsContact C-N 3.3Å; W864-N866 PolarHBondContact O-N 3.21Å; W864-L867 PolarHBondContact O-N 3.41Å; W864-I868 HydrophobicContact CD2-CD1 3.73Å; W864-I868 HydrophobicContact CE3-CD1 4.08Å; W864-I868 HydrophobicContact CG-CD1 4.19Å; W864-I868 HydrophobicContact CH2-CD1 4.35Å; W864-I868 HydrophobicContact CZ2-CD1 3.98Å; W864-I868 HydrophobicContact CZ3-CD1 4.37Å; W864-I868 VanDerWaalsContact O-CG1 3.3Å; W864-I868 WeakPolarHBondContact O-CG1 3.41Å; W864-I868 PolarHBondContact O-N 3.12Å; W864-F909 HydrophobicContact CE3-CD1 4.46Å; W864-F909 HydrophobicContact CE3-CE1 4.41Å; W864-F909 HydrophobicContact CH2-CD1 4.11Å; W864-F909 HydrophobicContact CH2-CE1 4.4Å; W864-F909 AromaticContact CZ3-CD1 3.88Å; W864-F909 HydrophobicContact CZ3-CD1 3.88Å; W864-F909 AromaticContact CZ3-CE1 3.8Å; W864-F909 HydrophobicContact CZ3-CE1 3.8Å; W864-L910 HydrophobicContact CZ2-CD2 3.6Å; W864-N913 HydrophobicContact CH2-CB 3.72Å; W864-N913 VanDerWaalsContact CH2-ND2 3.35Å; W864-N913 WeakPolarHBondContact CH2-ND2 3.25Å; W864-N913 HydrophobicContact CZ2-CB 3.7Å; W864-N913 VanDerWaalsContact CZ2-ND2 3.33Å; W864-N913 WeakPolarHBondContact CZ2-ND2 3.21Å
865K81.3Confident76.9Confident150 Ų15055.6 Ų55.665%0.65229%0.29SS*.Hα-helixtrans-60-39.9172.5-77.3179.2-179.7179.90112C861 P862 I868 Y869C861-K865 WeakPolarHBondContact O-CG 3.4Å; C861-K865 PolarHBondContact O-N 3.16Å; P862-K865 PolarHBondContact O-N 3.31Å; K865-I868 PolarHBondContact O-N 2.98Å; K865-Y869 WeakPolarHBondContact O-CB 3.45Å; K865-Y869 PolarHBondContact O-N 2.92Å
866N83.1Confident78Confident74 Ų7454.2 Ų54.240%0.39628%0.279SS..Hα-helixtrans-63.2-45.2175.9-173.232.8000111.4P862 L863 W864 Y869 M870P862-N866 WeakPolarHBondContact O-CB 3.35Å; P862-N866 PolarHBondContact O-N 3.23Å; L863-N866 WeakPolarHBondContact O-CB 3.43Å; L863-N866 PolarHBondContact O-N 3.18Å; W864-N866 VanDerWaalsContact C-N 3.3Å; W864-N866 PolarHBondContact O-N 3.21Å; N866-Y869 WeakPolarHBondContact O-CB 3.45Å; N866-Y869 PolarHBondContact O-N 3.3Å; N866-M870 PolarHBondContact O-N 3.46Å
867L84.9Confident78.6Confident0 Ų052.2 Ų52.20%027%0.269CS..Hα-helixtrans-59.2-52175.8-175.561.8000111.1L833 A836 F837 V840 L863 W864 Y869 M870 I871 L900 F916L833-L867 HydrophobicContact CD1-CD1 4.47Å; A836-L867 HydrophobicContact CB-CD1 4.25Å; F837-L867 HydrophobicContact CD1-CD1 4.04Å; F837-L867 HydrophobicContact CD1-CD2 4.04Å; F837-L867 HydrophobicContact CD2-CD1 4.11Å; F837-L867 HydrophobicContact CE1-CD1 4.04Å; F837-L867 HydrophobicContact CE1-CD2 4.13Å; F837-L867 HydrophobicContact CE2-CD1 4.1Å; F837-L867 HydrophobicContact CG-CD1 4.08Å; F837-L867 HydrophobicContact CZ-CD1 4.07Å; V840-L867 HydrophobicContact CB-CD2 4.33Å; V840-L867 HydrophobicContact CG1-CD2 4.39Å; V840-L867 HydrophobicContact CG2-CB 4.36Å; V840-L867 HydrophobicContact CG2-CD2 4.04Å; L863-L867 PolarHBondContact O-N 3.06Å; W864-L867 PolarHBondContact O-N 3.41Å; L867-Y869 VanDerWaalsContact C-N 3.26Å; L867-Y869 PolarHBondContact O-N 3.2Å; L867-M870 PolarHBondContact O-N 3.38Å; L867-M870 VanDerWaalsContact O-N 3.14Å; L867-I871 HydrophobicContact CD1-CD1 3.74Å; L867-I871 HydrophobicContact CG-CD1 3.67Å; L867-I871 VanDerWaalsContact O-CD1 3.29Å; L867-I871 WeakPolarHBondContact O-CD1 3.21Å; L867-I871 PolarHBondContact O-N 3.35Å; L867-L900 HydrophobicContact CD2-CD2 4.01Å; L867-F916 HydrophobicContact CD2-CZ 4.02Å; L867-F916 HydrophobicContact CG-CE2 4.45Å; L867-F916 HydrophobicContact CG-CZ 4.18Å
868I83.8Confident79.2Confident33 Ų3348.6 Ų48.617%0.16925%0.25CS..Hα-helixtrans-54-43.8176.1-66.3162.3000111.2W864 K865 I871 N872 F916W864-I868 HydrophobicContact CD2-CD1 3.73Å; W864-I868 HydrophobicContact CE3-CD1 4.08Å; W864-I868 HydrophobicContact CG-CD1 4.19Å; W864-I868 HydrophobicContact CH2-CD1 4.35Å; W864-I868 HydrophobicContact CZ2-CD1 3.98Å; W864-I868 HydrophobicContact CZ3-CD1 4.37Å; W864-I868 VanDerWaalsContact O-CG1 3.3Å; W864-I868 WeakPolarHBondContact O-CG1 3.41Å; W864-I868 PolarHBondContact O-N 3.12Å; K865-I868 PolarHBondContact O-N 2.98Å; I868-I871 PolarHBondContact O-N 2.89Å; I868-N872 WeakPolarHBondContact O-CB 3.17Å; I868-N872 PolarHBondContact O-N 2.68Å; I868-N872 PolarHBondContact O-ND2 2.9Å; I868-F916 HydrophobicContact CB-CD2 4.2Å; I868-F916 HydrophobicContact CB-CE2 4.32Å; I868-F916 HydrophobicContact CG1-CD2 3.47Å; I868-F916 VanDerWaalsContact CG1-CD2 3.47Å; I868-F916 HydrophobicContact CG1-CE2 3.67Å; I868-F916 HydrophobicContact CG1-CG 4.18Å; I868-F916 HydrophobicContact CG2-CD2 4.43Å
869Y83.5Confident79.3Confident125 Ų12551.6 Ų51.649%0.4925%0.252SS..Hα-helixtrans-61.1-48.8177.9177.1-100.5000111.9K865 N866 L867 I871 N872 Q873K865-Y869 WeakPolarHBondContact O-CB 3.45Å; K865-Y869 PolarHBondContact O-N 2.92Å; N866-Y869 WeakPolarHBondContact O-CB 3.45Å; N866-Y869 PolarHBondContact O-N 3.3Å; L867-Y869 VanDerWaalsContact C-N 3.26Å; L867-Y869 PolarHBondContact O-N 3.2Å; Y869-I871 VanDerWaalsContact C-N 3.3Å; Y869-I871 PolarHBondContact O-N 3.48Å; Y869-N872 PolarHBondContact O-N 3.45Å; Y869-Q873 HydrophobicContact CD1-CG 4.22Å; Y869-Q873 HydrophobicContact CE1-CG 3.85Å; Y869-Q873 HydrophobicContact CE2-CG 4.16Å; Y869-Q873 WeakPolarHBondContact O-CB 3.38Å; Y869-Q873 VanDerWaalsContact O-CG 3.28Å; Y869-Q873 WeakPolarHBondContact O-CG 3.33Å; Y869-Q873 PolarHBondContact O-N 3.34Å; Y869-Q873 PolarHBondContact OH-NE2 2.95Å
870M82.7Confident79Confident10 Ų1052.4 Ų52.45%0.04926%0.258CS..Hα-helixtrans-61.2-38.1178.5-74.8-173.4-75.400112.7F828 L833 A836 N866 L867 Q873 L874F828-M870 HydrophobicContact CB-SD 4.45Å; F828-M870 HydrophobicContact CD1-CB 4.44Å; F828-M870 HydrophobicContact CD1-CG 3.81Å; F828-M870 HydrophobicContact CD1-SD 4.19Å; F828-M870 HydrophobicContact CD2-CG 4.41Å; F828-M870 HydrophobicContact CD2-SD 4.07Å; F828-M870 HydrophobicContact CE1-CB 3.88Å; F828-M870 HydrophobicContact CE1-CG 3.71Å; F828-M870 HydrophobicContact CE2-CB 4.14Å; F828-M870 HydrophobicContact CE2-CG 4.32Å; F828-M870 HydrophobicContact CE2-SD 4.39Å; F828-M870 HydrophobicContact CG-CG 4.18Å; F828-M870 HydrophobicContact CG-SD 3.97Å; F828-M870 HydrophobicContact CZ-CB 3.71Å; F828-M870 HydrophobicContact CZ-CG 3.98Å; F828-M870 WeakPolarHBondContact CZ-O 3.18Å; L833-M870 HydrophobicContact CD1-CB 4.13Å; A836-M870 HydrophobicContact CB-CE 3.11Å; A836-M870 HydrophobicContact CB-SD 4.47Å; N866-M870 PolarHBondContact O-N 3.46Å; L867-M870 PolarHBondContact O-N 3.38Å; L867-M870 VanDerWaalsContact O-N 3.14Å; M870-Q873 WeakPolarHBondContact O-CB 3.29Å; M870-Q873 PolarHBondContact O-N 3.46Å; M870-L874 PolarHBondContact O-N 3.36Å
871I85Confident78.6Confident0 Ų054.4 Ų54.40%027%0.266CS..Hα-helixtrans-70.1-41.4178.6-73.5149.3000111.9F837 L867 I868 Y869 Q873 L874 I875 F916 M920 L923F837-I871 HydrophobicContact CZ-CD1 4.32Å; L867-I871 HydrophobicContact CD1-CD1 3.74Å; L867-I871 HydrophobicContact CG-CD1 3.67Å; L867-I871 VanDerWaalsContact O-CD1 3.29Å; L867-I871 WeakPolarHBondContact O-CD1 3.21Å; L867-I871 PolarHBondContact O-N 3.35Å; I868-I871 PolarHBondContact O-N 2.89Å; Y869-I871 VanDerWaalsContact C-N 3.3Å; Y869-I871 PolarHBondContact O-N 3.48Å; I871-Q873 VanDerWaalsContact C-N 3.28Å; I871-Q873 PolarHBondContact O-N 3.06Å; I871-L874 WeakPolarHBondContact O-CB 3.48Å; I871-L874 PolarHBondContact O-N 2.87Å; I871-I875 HydrophobicContact CG2-CD1 4.36Å; I871-I875 WeakPolarHBondContact O-CG1 3.41Å; I871-I875 PolarHBondContact O-N 2.68Å; I871-F916 HydrophobicContact CB-CE2 4.48Å; I871-F916 HydrophobicContact CD1-CD2 4.37Å; I871-F916 HydrophobicContact CD1-CE2 3.27Å; I871-F916 HydrophobicContact CD1-CZ 3.58Å; I871-F916 HydrophobicContact CG1-CE2 4.47Å; I871-M920 HydrophobicContact CB-CE 4.16Å; I871-M920 HydrophobicContact CD1-CE 2.89Å; I871-M920 HydrophobicContact CG1-CE 3.26Å; I871-M920 HydrophobicContact CG2-CE 3.86Å; I871-L923 HydrophobicContact CG2-CD1 3.88Å
872N84Confident78.1Confident64 Ų6453.5 Ų53.534%0.34227%0.265SS..Hα-helixtrans-65.3-35.2174-71.3-23.7000111.5I868 Y869 I875 Q876I868-N872 WeakPolarHBondContact O-CB 3.17Å; I868-N872 PolarHBondContact O-N 2.68Å; I868-N872 PolarHBondContact O-ND2 2.9Å; Y869-N872 PolarHBondContact O-N 3.45Å; N872-I875 PolarHBondContact O-N 3.37Å; N872-Q876 WeakPolarHBondContact O-CG 3.43Å; N872-Q876 PolarHBondContact O-N 3.21Å
873Q81.7Confident77.7Confident41 Ų4150.4 Ų50.419%0.19224%0.244CC..Hα-helixtrans-64.5-38.7172.3-73.8-67.5-12.500112.2F828 Y869 M870 I871 Q876 S877F828-Q873 HydrophobicContact CE1-CB 4Å; F828-Q873 HydrophobicContact CZ-CB 4.45Å; Y869-Q873 HydrophobicContact CD1-CG 4.22Å; Y869-Q873 HydrophobicContact CE1-CG 3.85Å; Y869-Q873 HydrophobicContact CE2-CG 4.16Å; Y869-Q873 WeakPolarHBondContact O-CB 3.38Å; Y869-Q873 VanDerWaalsContact O-CG 3.28Å; Y869-Q873 WeakPolarHBondContact O-CG 3.33Å; Y869-Q873 PolarHBondContact O-N 3.34Å; Y869-Q873 PolarHBondContact OH-NE2 2.95Å; M870-Q873 WeakPolarHBondContact O-CB 3.29Å; M870-Q873 PolarHBondContact O-N 3.46Å; I871-Q873 VanDerWaalsContact C-N 3.28Å; I871-Q873 PolarHBondContact O-N 3.06Å; Q873-Q876 PolarHBondContact O-N 3.34Å; Q873-S877 VanDerWaalsContact O-CB 3.26Å; Q873-S877 WeakPolarHBondContact O-CB 3.3Å; Q873-S877 PolarHBondContact O-N 2.9Å; Q873-S877 PolarHBondContact O-OG 3.27Å
874L82.1Confident77Confident0 Ų050 Ų500%024%0.242CC..Hα-helixtrans-61.5-44.9171.3-73.6170.3000111.2L826 F828 L833 M870 I871 Q876 S877 I878 L886 F889 L923L826-L874 HydrophobicContact CD2-CD2 3.81Å; F828-L874 HydrophobicContact CE2-CD2 4.32Å; F828-L874 HydrophobicContact CE2-CG 4.31Å; F828-L874 HydrophobicContact CZ-CD2 4.24Å; F828-L874 HydrophobicContact CZ-CG 3.99Å; L833-L874 HydrophobicContact CD1-CD1 4.39Å; L833-L874 HydrophobicContact CD2-CD1 3.96Å; M870-L874 PolarHBondContact O-N 3.36Å; I871-L874 WeakPolarHBondContact O-CB 3.48Å; I871-L874 PolarHBondContact O-N 2.87Å; L874-Q876 PolarHBondContact O-N 2.81Å; L874-S877 WeakPolarHBondContact O-CB 3.44Å; L874-S877 PolarHBondContact O-N 2.72Å; L874-I878 VanDerWaalsContact O-CG1 3.31Å; L874-I878 WeakPolarHBondContact O-CG1 3.18Å; L874-I878 PolarHBondContact O-N 3.36Å; L874-L886 HydrophobicContact CB-CD2 4.49Å; L874-L886 HydrophobicContact CD2-CD2 4.45Å; L874-F889 HydrophobicContact CD2-CD1 4.45Å; L874-F889 HydrophobicContact CD2-CD2 3.6Å; L874-F889 HydrophobicContact CD2-CE1 4.44Å; L874-F889 HydrophobicContact CD2-CE2 3.62Å; L874-F889 HydrophobicContact CD2-CG 4.04Å; L874-F889 HydrophobicContact CD2-CZ 4.04Å; L874-L923 HydrophobicContact CB-CD1 4.48Å; L874-L923 HydrophobicContact CB-CD2 4.48Å; L874-L923 HydrophobicContact CD1-CD1 4.48Å
875I81.9Confident76.5Confident21 Ų2148.5 Ų48.511%0.10824%0.237CC..Hα-helixtrans-61.2-46.6178.9-67.9170.3000111.3I871 N872 S877 I878 E879 S919 L923I871-I875 HydrophobicContact CG2-CD1 4.36Å; I871-I875 WeakPolarHBondContact O-CG1 3.41Å; I871-I875 PolarHBondContact O-N 2.68Å; N872-I875 PolarHBondContact O-N 3.37Å; I875-S877 VanDerWaalsContact C-N 3.3Å; I875-S877 PolarHBondContact O-N 2.97Å; I875-I878 WeakPolarHBondContact O-CB 3.17Å; I875-I878 PolarHBondContact O-N 3.46Å; I875-E879 PolarHBondContact O-N 3.2Å; I875-S919 VanDerWaalsContact CD1-CB 3.46Å; I875-S919 WeakPolarHBondContact CD1-OG 3.47Å; I875-L923 HydrophobicContact CD1-CG 4.46Å; I875-L923 HydrophobicContact CG1-CD1 4.42Å; I875-L923 HydrophobicContact CG1-CD2 3.75Å; I875-L923 HydrophobicContact CG1-CG 4.03Å
876Q78.7Confident76.2Confident93 Ų9341.4 Ų41.444%0.43521%0.206SC..Hα-helixtrans-62.6-37.7175.3-71.6174.6-1.100111.9N872 Q873 L874 I878 E879 I880N872-Q876 WeakPolarHBondContact O-CG 3.43Å; N872-Q876 PolarHBondContact O-N 3.21Å; Q873-Q876 PolarHBondContact O-N 3.34Å; L874-Q876 PolarHBondContact O-N 2.81Å; Q876-I878 VanDerWaalsContact C-N 3.33Å; Q876-I878 PolarHBondContact O-N 3.45Å; Q876-E879 PolarHBondContact O-N 2.93Å; Q876-I880 WeakPolarHBondContact O-CG1 3.31Å; Q876-I880 PolarHBondContact O-N 2.89Å
877S72.9Confident75.7Confident6 Ų637.9 Ų37.94%0.04219%0.188CC..Hα-helixtrans-66.7-33.6177.8-62.60000112.4L826 Q873 L874 I875 E879 I880 F881L826-S877 VanDerWaalsContact CD2-OG 3.3Å; L826-S877 WeakPolarHBondContact CD2-OG 3.18Å; Q873-S877 VanDerWaalsContact O-CB 3.26Å; Q873-S877 WeakPolarHBondContact O-CB 3.3Å; Q873-S877 PolarHBondContact O-N 2.9Å; Q873-S877 PolarHBondContact O-OG 3.27Å; L874-S877 WeakPolarHBondContact O-CB 3.44Å; L874-S877 PolarHBondContact O-N 2.72Å; I875-S877 VanDerWaalsContact C-N 3.3Å; I875-S877 PolarHBondContact O-N 2.97Å; S877-E879 VanDerWaalsContact C-N 3.3Å; S877-E879 PolarHBondContact O-N 3.31Å; S877-I880 PolarHBondContact O-N 3.47Å; S877-F881 WeakPolarHBondContact O-CB 3.09Å; S877-F881 WeakPolarHBondContact O-CD2 3.36Å; S877-F881 PolarHBondContact O-N 2.8Å
878I74.4Confident75.1Confident3 Ų340.5 Ų40.52%0.01520%0.201CC..Hα-helixtrans-62.6-40.1173-63.6158.7000110.9I776 L874 I875 Q876 I880 G882 L883 L886 L923I776-I878 HydrophobicContact CD1-CG2 4.36Å; L874-I878 VanDerWaalsContact O-CG1 3.31Å; L874-I878 WeakPolarHBondContact O-CG1 3.18Å; L874-I878 PolarHBondContact O-N 3.36Å; I875-I878 WeakPolarHBondContact O-CB 3.17Å; I875-I878 PolarHBondContact O-N 3.46Å; Q876-I878 VanDerWaalsContact C-N 3.33Å; Q876-I878 PolarHBondContact O-N 3.45Å; I878-I880 VanDerWaalsContact C-N 3.27Å; I878-I880 PolarHBondContact O-N 2.74Å; I878-G882 CarbonylContact O-C 3.57Å; I878-G882 WeakPolarHBondContact O-CA 3.23Å; I878-G882 PolarHBondContact O-N 3.16Å; I878-L883 HydrophobicContact CG2-CD1 4.05Å; I878-L883 HydrophobicContact CG2-CG 4.1Å; I878-L886 HydrophobicContact CD1-CD1 3.45Å; I878-L886 VanDerWaalsContact CD1-CD1 3.45Å; I878-L886 HydrophobicContact CD1-CD2 3.91Å; I878-L886 HydrophobicContact CD1-CG 3.83Å; I878-L886 HydrophobicContact CG1-CD1 3.74Å; I878-L886 HydrophobicContact CG1-CD2 4.04Å; I878-L886 HydrophobicContact CG1-CG 3.7Å; I878-L923 HydrophobicContact CD1-CD2 3.42Å; I878-L923 VanDerWaalsContact CD1-CD2 3.42Å
879E68.4Low74.8Confident137 Ų13739.2 Ų39.264%0.6420%0.195SC*.Hα-helixtrans-67.1-30.1-180-67177.4175.500112.1I875 Q876 S877I875-E879 PolarHBondContact O-N 3.2Å; Q876-E879 PolarHBondContact O-N 2.93Å; S877-E879 VanDerWaalsContact C-N 3.3Å; S877-E879 PolarHBondContact O-N 3.31Å
880I64Low74.6Confident121 Ų12133.4 Ų33.462%0.62117%0.172SC*.Hα-helixtrans-92.4-43-176.8-60.3165.3000112.1Q876 S877 I878Q876-I880 WeakPolarHBondContact O-CG1 3.31Å; Q876-I880 PolarHBondContact O-N 2.89Å; S877-I880 PolarHBondContact O-N 3.47Å; I878-I880 VanDerWaalsContact C-N 3.27Å; I878-I880 PolarHBondContact O-N 2.74Å
881F61.8Low74.3Confident66 Ų6634.2 Ų34.229%0.28918%0.179SC..Hα-helixtrans-110.5-2.6-169.3-56.8-62.4000113.7Y824 P825 S877 C885Y824-F881 HydrophobicContact CD1-CB 3.57Å; Y824-F881 AromaticContact CD1-CD1 3.4Å; Y824-F881 HydrophobicContact CD1-CD1 3.4Å; Y824-F881 HydrophobicContact CD1-CD2 4.14Å; Y824-F881 HydrophobicContact CD1-CE1 4.1Å; Y824-F881 AromaticContact CD1-CG 3.42Å; Y824-F881 HydrophobicContact CD1-CG 3.42Å; Y824-F881 VanDerWaalsContact CD1-CG 3.42Å; Y824-F881 HydrophobicContact CE1-CB 3.66Å; Y824-F881 AromaticContact CE1-CD1 3.84Å; Y824-F881 HydrophobicContact CE1-CD1 3.84Å; Y824-F881 AromaticContact CE1-CG 3.95Å; Y824-F881 HydrophobicContact CE1-CG 3.95Å; Y824-F881 HydrophobicContact CG-CB 4.49Å; Y824-F881 HydrophobicContact CG-CG 4.34Å; P825-F881 VanDerWaalsContact CD-CZ 3.45Å; P825-F881 HydrophobicContact CG-CZ 3.91Å; S877-F881 WeakPolarHBondContact O-CB 3.09Å; S877-F881 WeakPolarHBondContact O-CD2 3.36Å; S877-F881 PolarHBondContact O-N 2.8Å; F881-C885 HydrophobicContact CB-CB 4.48Å
882G66.6Low74.1Confident27 Ų2735.2 Ų35.228%0.27818%0.184SC..  trans78.2174-174.900000113.1I878 D884 C885I878-G882 CarbonylContact O-C 3.57Å; I878-G882 WeakPolarHBondContact O-CA 3.23Å; I878-G882 PolarHBondContact O-N 3.16Å; G882-D884 PolarHBondContact O-N 3.46Å; G882-D884 VanDerWaalsContact O-N 3.15Å; G882-C885 PolarHBondContact O-SG 3.3Å
883L70.1Confident74.1Confident10 Ų1032.3 Ų32.35%0.05217%0.168CC..G310 helixtrans-67.8-15.3-173.2-73.473.1000114.3I776 I878 C885 L886 R926 I930I776-L883 HydrophobicContact CD1-CD1 4.48Å; I776-L883 HydrophobicContact CG2-CD1 4.01Å; I878-L883 HydrophobicContact CG2-CD1 4.05Å; I878-L883 HydrophobicContact CG2-CG 4.1Å; L883-C885 PolarHBondContact O-N 2.9Å; L883-L886 WeakPolarHBondContact O-CB 2.78Å; L883-L886 PolarHBondContact O-N 3.1Å; L883-R926 HydrophobicContact CD2-CB 4.15Å; L883-I930 HydrophobicContact CB-CD1 3.61Å; L883-I930 HydrophobicContact CB-CG1 4.49Å; L883-I930 HydrophobicContact CD2-CD1 3.99Å; L883-I930 HydrophobicContact CD2-CG1 4.15Å; L883-I930 HydrophobicContact CG-CD1 4.44Å
884D67Low74.1Confident33 Ų3330.3 Ų30.318%0.17616%0.159CC..G310 helixtrans-67.4-23.2-174.2-68.78.7000112Y730 R733 G882 L886 L887Y730-D884 PolarHBondContact OH-OD2 2.79Å; Y730-D884 VanDerWaalsContact OH-OD2 3.1Å; R733-D884 IonicContact CZ-OD1 3.98Å; R733-D884 IonicContact NH1-OD1 2.64Å; R733-D884 PolarHBondContact NH1-OD1 3.46Å; R733-D884 IonicContact NH2-OD1 2.67Å; G882-D884 PolarHBondContact O-N 3.46Å; G882-D884 VanDerWaalsContact O-N 3.15Å; D884-L886 PolarHBondContact O-N 2.99Å; D884-L887 PolarHBondContact O-N 3.32Å
885C69.2Low74Confident5 Ų533.8 Ų33.83%0.03418%0.175CC..G310 helixtrans-63.5-22.1172.469.70000113.5L826 F881 G882 L883 F889L826-C885 HydrophobicContact CD1-CB 4.22Å; F881-C885 HydrophobicContact CB-CB 4.48Å; G882-C885 PolarHBondContact O-SG 3.3Å; L883-C885 PolarHBondContact O-N 2.9Å; C885-F889 WeakPolarHBondContact O-CD2 3.34Å
886L74.4Confident74Confident0 Ų033 Ų330%017%0.171CC..G310 helixtrans-78.3-19.1179.1-72.1176.3000114L874 I878 L883 D884 N888 F889 G890 L893 L923 R926 L927L874-L886 HydrophobicContact CB-CD2 4.49Å; L874-L886 HydrophobicContact CD2-CD2 4.45Å; I878-L886 HydrophobicContact CD1-CD1 3.45Å; I878-L886 VanDerWaalsContact CD1-CD1 3.45Å; I878-L886 HydrophobicContact CD1-CD2 3.91Å; I878-L886 HydrophobicContact CD1-CG 3.83Å; I878-L886 HydrophobicContact CG1-CD1 3.74Å; I878-L886 HydrophobicContact CG1-CD2 4.04Å; I878-L886 HydrophobicContact CG1-CG 3.7Å; L883-L886 WeakPolarHBondContact O-CB 2.78Å; L883-L886 PolarHBondContact O-N 3.1Å; D884-L886 PolarHBondContact O-N 2.99Å; L886-N888 VanDerWaalsContact C-N 3.27Å; L886-N888 PolarHBondContact O-N 3.02Å; L886-F889 CarbonylContact O-C 3.53Å; L886-F889 PolarHBondContact O-N 3.25Å; L886-G890 PolarHBondContact O-N 3.23Å; L886-L893 HydrophobicContact CD2-CD1 4.39Å; L886-L923 HydrophobicContact CD1-CD2 4.36Å; L886-L923 HydrophobicContact CD2-CD2 3.92Å; L886-R926 HydrophobicContact CD1-CB 4.32Å; L886-L927 HydrophobicContact CB-CD1 4.13Å
887L73.2Confident74.2Confident1 Ų128.8 Ų28.81%0.00515%0.152CC..THydrogen-bonded Turntrans-55.5-45.8-173-73.7176000111.7L650 F653 C654 Y730 D884 F889 G890 I930 M931L650-L887 HydrophobicContact CD2-CB 4Å; L650-L887 HydrophobicContact CD2-CD1 3.82Å; F653-L887 WeakPolarHBondContact CE1-O 3.45Å; C654-L887 WeakPolarHBondContact SG-CD2 3.4Å; Y730-L887 HydrophobicContact CE2-CD1 4.2Å; D884-L887 PolarHBondContact O-N 3.32Å; L887-F889 VanDerWaalsContact C-N 3.3Å; L887-F889 PolarHBondContact O-N 3.06Å; L887-G890 PolarHBondContact O-N 2.94Å; L887-I930 HydrophobicContact CD2-CB 4.41Å; L887-I930 HydrophobicContact CD2-CD1 4.44Å; L887-I930 HydrophobicContact CD2-CG2 3.69Å; L887-M931 HydrophobicContact CD2-CE 3.9Å
888N72.1Confident74.6Confident54 Ų5428.5 Ų28.529%0.28915%0.15SC..THydrogen-bonded Turntrans-57.1-39.8176.7-76.99.9000112.9E830 L886 G890E830-N888 HydrophobicContact CG-CB 3.99Å; E830-N888 WeakPolarHBondContact CG-O 3.47Å; E830-N888 WeakPolarHBondContact OE1-CB 3.33Å; L886-N888 VanDerWaalsContact C-N 3.27Å; L886-N888 PolarHBondContact O-N 3.02Å; N888-G890 VanDerWaalsContact C-N 3.3Å; N888-G890 PolarHBondContact O-N 3.02Å
889F77.7Confident74.9Confident7 Ų729.9 Ų29.93%0.03116%0.155CC..THydrogen-bonded Turntrans-85.5-4.6179.6-56.5-80.3000113.3L826 F828 E830 L833 L874 C885 L886 L887 I892 L893L826-F889 HydrophobicContact CD1-CE2 4.02Å; L826-F889 HydrophobicContact CD1-CZ 4.47Å; F828-F889 HydrophobicContact CD2-CE1 4.14Å; F828-F889 HydrophobicContact CD2-CZ 4.46Å; F828-F889 AromaticContact CE2-CE1 3.94Å; F828-F889 HydrophobicContact CE2-CE1 3.94Å; F828-F889 HydrophobicContact CE2-CZ 4.19Å; E830-F889 HydrophobicContact CG-CD1 4.19Å; E830-F889 HydrophobicContact CG-CE1 4.22Å; L833-F889 HydrophobicContact CB-CD1 4.26Å; L833-F889 HydrophobicContact CB-CE1 4.41Å; L833-F889 HydrophobicContact CD2-CB 4.14Å; L833-F889 HydrophobicContact CD2-CD1 3.53Å; L833-F889 HydrophobicContact CD2-CE1 4.33Å; L833-F889 HydrophobicContact CD2-CG 4.17Å; L874-F889 HydrophobicContact CD2-CD1 4.45Å; L874-F889 HydrophobicContact CD2-CD2 3.6Å; L874-F889 HydrophobicContact CD2-CE1 4.44Å; L874-F889 HydrophobicContact CD2-CE2 3.62Å; L874-F889 HydrophobicContact CD2-CG 4.04Å; L874-F889 HydrophobicContact CD2-CZ 4.04Å; C885-F889 WeakPolarHBondContact O-CD2 3.34Å; L886-F889 CarbonylContact O-C 3.53Å; L886-F889 PolarHBondContact O-N 3.25Å; L887-F889 VanDerWaalsContact C-N 3.3Å; L887-F889 PolarHBondContact O-N 3.06Å; F889-I892 PolarHBondContact O-N 3.28Å; F889-L893 HydrophobicContact CB-CD1 4.11Å; F889-L893 HydrophobicContact CB-CG 4.35Å; F889-L893 WeakPolarHBondContact O-CG 3.43Å; F889-L893 PolarHBondContact O-N 3Å
890G78.6Confident75.4Confident2 Ų223.5 Ų23.52%0.02113%0.126CC..Hα-helixtrans-55.6-51.5-169.100000115.6L886 L887 N888 I892 L893 A894 L927L886-G890 PolarHBondContact O-N 3.23Å; L887-G890 PolarHBondContact O-N 2.94Å; N888-G890 VanDerWaalsContact C-N 3.3Å; N888-G890 PolarHBondContact O-N 3.02Å; G890-I892 VanDerWaalsContact C-N 3.34Å; G890-I892 PolarHBondContact O-N 3.43Å; G890-L893 PolarHBondContact O-N 3.07Å; G890-A894 VanDerWaalsContact O-CB 3.26Å; G890-A894 WeakPolarHBondContact O-CB 3.46Å; G890-A894 PolarHBondContact O-N 3.06Å; G890-L927 VanDerWaalsContact CA-CD2 3.44Å
891P77.1Confident76Confident28 Ų2818.1 Ų18.118%0.18210%0.098CC..Hα-helixtrans-68.4-35.6-179-18.933.7000111.9F653 A894 E895 I938F653-P891 HydrophobicContact CE1-CG 3.6Å; F653-P891 HydrophobicContact CE2-CG 4.13Å; F653-P891 HydrophobicContact CZ-CG 3.14Å; P891-A894 PolarHBondContact O-N 3.34Å; P891-E895 VanDerWaalsContact O-CB 3.27Å; P891-E895 WeakPolarHBondContact O-CB 3.41Å; P891-E895 PolarHBondContact O-N 3.44Å; P891-I938 HydrophobicContact CB-CD1 4.06Å
892I80.2Confident76.7Confident21 Ų2116.1 Ų16.111%0.1089%0.09CC..Hα-helixtrans-64.7-46.1177.8-62.1162.8000109.3E830 L833 N834 F837 F889 G890 E895 Q896E830-I892 HydrophobicContact CB-CD1 3.68Å; E830-I892 HydrophobicContact CG-CD1 4.42Å; E830-I892 VanDerWaalsContact O-CD1 3.23Å; E830-I892 WeakPolarHBondContact O-CD1 3.48Å; L833-I892 HydrophobicContact CD2-CG2 4.23Å; L833-I892 HydrophobicContact CG-CG2 4.4Å; N834-I892 HydrophobicContact CB-CD1 4.07Å; N834-I892 HydrophobicContact CB-CG1 4.22Å; N834-I892 HydrophobicContact CB-CG2 3.95Å; F837-I892 HydrophobicContact CD2-CG2 4.1Å; F837-I892 HydrophobicContact CE2-CG2 4.39Å; F889-I892 PolarHBondContact O-N 3.28Å; G890-I892 VanDerWaalsContact C-N 3.34Å; G890-I892 PolarHBondContact O-N 3.43Å; I892-E895 PolarHBondContact O-N 3.13Å; I892-Q896 HydrophobicContact CG2-CG 3.94Å; I892-Q896 WeakPolarHBondContact O-CA 3.4Å; I892-Q896 WeakPolarHBondContact O-CB 3.3Å; I892-Q896 WeakPolarHBondContact O-CG 3.29Å; I892-Q896 PolarHBondContact O-N 2.83Å
893L83.2Confident76.9Confident2 Ų217.2 Ų17.21%0.019%0.09CC..Hα-helixtrans-65.6-41.2175.8-66.6173000111.3L833 F837 L886 F889 G890 E895 C897 M920 L923L833-L893 HydrophobicContact CD2-CD2 4.23Å; F837-L893 HydrophobicContact CE2-CD2 4.19Å; F837-L893 HydrophobicContact CZ-CD2 4.22Å; L886-L893 HydrophobicContact CD2-CD1 4.39Å; F889-L893 HydrophobicContact CB-CD1 4.11Å; F889-L893 HydrophobicContact CB-CG 4.35Å; F889-L893 WeakPolarHBondContact O-CG 3.43Å; F889-L893 PolarHBondContact O-N 3Å; G890-L893 PolarHBondContact O-N 3.07Å; L893-E895 VanDerWaalsContact C-N 3.27Å; L893-E895 PolarHBondContact O-N 3.36Å; L893-C897 VanDerWaalsContact CA-SG 3.52Å; L893-C897 WeakPolarHBondContact O-CB 3.45Å; L893-C897 PolarHBondContact O-N 3.24Å; L893-C897 PolarHBondContact O-SG 3.21Å; L893-M920 HydrophobicContact CD2-CE 4.45Å; L893-L923 HydrophobicContact CD1-CB 4.45Å; L893-L923 HydrophobicContact CD1-CD1 4.42Å; L893-L923 HydrophobicContact CD2-CD1 4.41Å
894A81.9Confident76.5Confident0 Ų019.1 Ų19.10%010%0.098CC..Hα-helixtrans-61.1-34.7177.600000113.5G890 P891 P898 L935 I938 T939G890-A894 VanDerWaalsContact O-CB 3.26Å; G890-A894 WeakPolarHBondContact O-CB 3.46Å; G890-A894 PolarHBondContact O-N 3.06Å; P891-A894 PolarHBondContact O-N 3.34Å; A894-P898 VanDerWaalsContact O-CD 3.25Å; A894-P898 WeakPolarHBondContact O-CD 3.15Å; A894-P898 VanDerWaalsContact O-CG 3.28Å; A894-P898 WeakPolarHBondContact O-CG 3.5Å; A894-L935 HydrophobicContact CB-CD1 3.36Å; A894-I938 HydrophobicContact CB-CB 3.77Å; A894-I938 HydrophobicContact CB-CD1 4.32Å; A894-I938 HydrophobicContact CB-CG2 3.5Å; A894-I938 VanDerWaalsContact CB-CG2 3.5Å; A894-T939 PolarHBondContact O-OG1 3.39Å; A894-T939 VanDerWaalsContact O-OG1 3.08Å
895E81.5Confident75.7Confident73 Ų7319.7 Ų19.734%0.34111%0.112SC..Hα-helixtrans-93-50-176.9-170.2-177.9176.100112.5P891 I892 L893 K899 I938 R942P891-E895 VanDerWaalsContact O-CB 3.27Å; P891-E895 WeakPolarHBondContact O-CB 3.41Å; P891-E895 PolarHBondContact O-N 3.44Å; I892-E895 PolarHBondContact O-N 3.13Å; L893-E895 VanDerWaalsContact C-N 3.27Å; L893-E895 PolarHBondContact O-N 3.36Å; E895-K899 WeakPolarHBondContact O-CB 2.79Å; E895-K899 PolarHBondContact O-N 3.38Å; E895-I938 HydrophobicContact CB-CG2 4.06Å; E895-R942 HydrophobicContact CG-CG 4.36Å; E895-R942 WeakPolarHBondContact O-CG 3.39Å; E895-R942 IonicContact OE1-NH1 2.62Å
896Q81.8Confident74.7Confident3 Ų326.1 Ų26.11%0.01415%0.146CC..Hα-helixtrans-79.7-31.4-171.9-61.2-65.1-11.700112.8N834 F837 E838 I892 K899 L900N834-Q896 WeakPolarHBondContact OD1-CG 3.44Å; N834-Q896 PolarHBondContact OD1-NE2 2.85Å; F837-Q896 HydrophobicContact CB-CB 3.77Å; F837-Q896 HydrophobicContact CB-CG 3.81Å; F837-Q896 HydrophobicContact CD1-CB 3.71Å; F837-Q896 HydrophobicContact CD2-CB 3.79Å; F837-Q896 HydrophobicContact CD2-CG 4.18Å; F837-Q896 HydrophobicContact CE1-CB 4.17Å; F837-Q896 HydrophobicContact CE2-CB 4.25Å; F837-Q896 HydrophobicContact CG-CB 3.5Å; F837-Q896 VanDerWaalsContact CG-CB 3.5Å; F837-Q896 HydrophobicContact CG-CG 4.01Å; F837-Q896 HydrophobicContact CZ-CB 4.41Å; E838-Q896 PolarHBondContact OE1-NE2 2.83Å; E838-Q896 PolarHBondContact OE1-OE1 2.97Å; I892-Q896 HydrophobicContact CG2-CG 3.94Å; I892-Q896 WeakPolarHBondContact O-CA 3.4Å; I892-Q896 WeakPolarHBondContact O-CB 3.3Å; I892-Q896 WeakPolarHBondContact O-CG 3.29Å; I892-Q896 PolarHBondContact O-N 2.83Å; Q896-K899 PolarHBondContact O-N 3.11Å; Q896-L900 WeakPolarHBondContact O-CB 3.38Å; Q896-L900 PolarHBondContact O-N 3.33Å
897C82.8Confident73.5Confident5 Ų533.9 Ų33.93%0.03419%0.188CC..Hα-helixtrans-65.1-50.1-179.8-54.40000111.7L893 K899 L900 L901 M920L893-C897 VanDerWaalsContact CA-SG 3.52Å; L893-C897 WeakPolarHBondContact O-CB 3.45Å; L893-C897 PolarHBondContact O-N 3.24Å; L893-C897 PolarHBondContact O-SG 3.21Å; C897-K899 VanDerWaalsContact C-N 3.32Å; C897-K899 PolarHBondContact O-N 2.77Å; C897-L900 PolarHBondContact O-N 3.11Å; C897-L901 VanDerWaalsContact O-CG 3.31Å; C897-L901 WeakPolarHBondContact O-CG 3.31Å; C897-L901 PolarHBondContact O-N 3.15Å; C897-L901 VanDerWaalsContact O-N 3.09Å; C897-M920 HydrophobicContact CB-SD 3.83Å; C897-M920 PolarHBondContact SG-SD 3.23Å
898P81.3Confident72.5Confident0 Ų035.1 Ų35.10%020%0.201CC..Hα-helixtrans-59.3-41172.1-25.536.4000113A894 L900 L901 L902 T939 R942 I943 L1013A894-P898 VanDerWaalsContact O-CD 3.25Å; A894-P898 WeakPolarHBondContact O-CD 3.15Å; A894-P898 VanDerWaalsContact O-CG 3.28Å; A894-P898 WeakPolarHBondContact O-CG 3.5Å; P898-L900 PolarHBondContact O-N 2.65Å; P898-L901 PolarHBondContact O-N 2.89Å; P898-L902 WeakPolarHBondContact O-CB 3.22Å; P898-L902 WeakPolarHBondContact O-CG 3.14Å; P898-L902 PolarHBondContact O-N 3.07Å; P898-T939 HydrophobicContact CG-CG2 3.79Å; P898-R942 HydrophobicContact CB-CG 4.35Å; P898-I943 HydrophobicContact CB-CD1 4.15Å; P898-I943 HydrophobicContact CB-CG1 3.77Å; P898-I943 HydrophobicContact CG-CD1 4.46Å; P898-I943 HydrophobicContact CG-CG1 4.47Å; P898-L1013 HydrophobicContact CB-CD1 3.92Å; P898-L1013 HydrophobicContact CG-CD1 4.39Å
899K79.7Confident71.6Confident32 Ų3238.4 Ų38.414%0.13921%0.213CC..Hα-helixtrans-60.5-46179.5-172.8179.3177.4-158.30111.9E838 I841 E895 Q896 C897 L901 L902 L903 R942E838-K899 VanDerWaalsContact CD-NZ 3.28Å; E838-K899 IonicContact OE1-NZ 2.87Å; E838-K899 PolarHBondContact OE1-NZ 3.31Å; E838-K899 IonicContact OE2-NZ 2.79Å; E838-K899 PolarHBondContact OE2-NZ 3.29Å; E838-K899 VanDerWaalsContact OE2-NZ 3.07Å; I841-K899 HydrophobicContact CD1-CB 4.32Å; I841-K899 HydrophobicContact CD1-CD 3.85Å; I841-K899 HydrophobicContact CD1-CG 3.98Å; I841-K899 HydrophobicContact CG2-CD 4.5Å; E895-K899 WeakPolarHBondContact O-CB 2.79Å; E895-K899 PolarHBondContact O-N 3.38Å; Q896-K899 PolarHBondContact O-N 3.11Å; C897-K899 VanDerWaalsContact C-N 3.32Å; C897-K899 PolarHBondContact O-N 2.77Å; K899-L901 VanDerWaalsContact C-N 3.35Å; K899-L902 PolarHBondContact O-N 2.77Å; K899-L903 WeakPolarHBondContact O-CG 3.32Å; K899-L903 PolarHBondContact O-N 3.1Å; K899-R942 HydrophobicContact CB-CG 4.49Å
900L79Confident70.3Confident3 Ų338.6 Ų38.62%0.01621%0.214CC..Hα-helixtrans-64.9-37.9177.2-177.167.9000112F837 V840 I841 L844 L867 Q896 C897 P898 L910 F916F837-L900 HydrophobicContact CD1-CD2 4.2Å; F837-L900 HydrophobicContact CE1-CD2 3.98Å; V840-L900 HydrophobicContact CG1-CD1 3.81Å; I841-L900 HydrophobicContact CD1-CB 4.43Å; I841-L900 HydrophobicContact CG1-CB 4.47Å; I841-L900 HydrophobicContact CG1-CD1 3.97Å; L844-L900 HydrophobicContact CD1-CD1 3.88Å; L867-L900 HydrophobicContact CD2-CD2 4.01Å; Q896-L900 WeakPolarHBondContact O-CB 3.38Å; Q896-L900 PolarHBondContact O-N 3.33Å; C897-L900 PolarHBondContact O-N 3.11Å; P898-L900 PolarHBondContact O-N 2.65Å; L900-L910 HydrophobicContact CD1-CD1 4.09Å; L900-L910 HydrophobicContact CG-CD1 4.08Å; L900-F916 HydrophobicContact CD2-CE1 3.94Å; L900-F916 HydrophobicContact CD2-CZ 4.2Å
901L77.2Confident69.1Low8 Ų841.3 Ų41.34%0.04223%0.233CC..Hα-helixtrans-71.8-36177.9-67.4175.8000112.4C897 P898 K899 Q904 V917 L1013C897-L901 VanDerWaalsContact O-CG 3.31Å; C897-L901 WeakPolarHBondContact O-CG 3.31Å; C897-L901 PolarHBondContact O-N 3.15Å; C897-L901 VanDerWaalsContact O-N 3.09Å; P898-L901 PolarHBondContact O-N 2.89Å; K899-L901 VanDerWaalsContact C-N 3.35Å; L901-Q904 WeakPolarHBondContact O-CB 3.39Å; L901-Q904 WeakPolarHBondContact O-CG 3.06Å; L901-Q904 PolarHBondContact O-N 2.87Å; L901-V917 HydrophobicContact CD2-CG1 4.13Å; L901-V917 HydrophobicContact CD2-CG2 4.37Å; L901-L1013 HydrophobicContact CD1-CD1 4.42Å
902L75.5Confident68.2Low24 Ų2445.8 Ų45.813%0.12626%0.26CS..Hα-helixtrans-71.5-28.8179.2-78.1172.2000114.5P898 K899 Q904 D1004 K1006 V1007 L1013P898-L902 WeakPolarHBondContact O-CB 3.22Å; P898-L902 WeakPolarHBondContact O-CG 3.14Å; P898-L902 PolarHBondContact O-N 3.07Å; K899-L902 PolarHBondContact O-N 2.77Å; L902-Q904 PolarHBondContact O-N 3.07Å; L902-Q904 VanDerWaalsContact O-N 3.15Å; L902-D1004 HydrophobicContact CD2-CB 4.44Å; L902-K1006 HydrophobicContact CD2-CB 4.06Å; L902-V1007 HydrophobicContact CD2-CG2 3.78Å; L902-L1013 HydrophobicContact CD1-CD2 4.34Å; L902-L1013 HydrophobicContact CD2-CD2 3.5Å; L902-L1013 VanDerWaalsContact CD2-CD2 3.5Å; L902-L1013 HydrophobicContact CG-CD2 3.58Å
903L70.5Confident67.8Low51 Ų5146.8 Ų46.827%0.26727%0.265SS..THydrogen-bonded Turntrans-67.5-8.2176.4-74.2161.6000112.9I841 I848 K899 G905I841-L903 HydrophobicContact CB-CD1 4.09Å; I841-L903 HydrophobicContact CG1-CD1 3.93Å; I841-L903 HydrophobicContact CG2-CD1 3.51Å; I848-L903 WeakPolarHBondContact CD1-O 3.29Å; K899-L903 WeakPolarHBondContact O-CG 3.32Å; K899-L903 PolarHBondContact O-N 3.1Å; L903-G905 VanDerWaalsContact C-N 3.29Å; L903-G905 PolarHBondContact O-N 3.45Å
904Q62.7Low67.5Low49 Ų4954.8 Ų54.823%0.22930%0.295CS..  trans-74.578.2172.7-59176.916.700110.4L901 L902 N906 L910L901-Q904 WeakPolarHBondContact O-CB 3.39Å; L901-Q904 WeakPolarHBondContact O-CG 3.06Å; L901-Q904 PolarHBondContact O-N 2.87Å; L902-Q904 PolarHBondContact O-N 3.07Å; L902-Q904 VanDerWaalsContact O-N 3.15Å; Q904-N906 PolarHBondContact O-N 3.02Å; Q904-L910 HydrophobicContact CG-CB 4.18Å; Q904-L910 HydrophobicContact CG-CD1 4.04Å; Q904-L910 VanDerWaalsContact NE2-CD1 3.28Å
905G50.9Low67.2Low46 Ų4663.1 Ų63.147%0.47433%0.331SS..  trans-78112.316500000110.8L903 D907L903-G905 VanDerWaalsContact C-N 3.29Å; L903-G905 PolarHBondContact O-N 3.45Å; G905-D907 VanDerWaalsContact C-N 3.29Å; G905-D907 PolarHBondContact O-N 3.49Å
906N47.9Very low67.2Low140 Ų14059.9 Ų59.975%0.74932%0.316SS*.SBendtrans42.8-26.8168.9-73.13.2000122.8Q904Q904-N906 PolarHBondContact O-N 3.02Å
907D48.6Very low67Low163 Ų16360.6 Ų60.687%0.87232%0.32SS*.SBendtrans-133.320.6-176-69.6-48.2000114.1G905G905-D907 VanDerWaalsContact C-N 3.29Å; G905-D907 PolarHBondContact O-N 3.49Å
908G52.3Low66.9Low27 Ų2765.9 Ų65.928%0.27834%0.344SS..  trans-79.9131.2-166.500000116.5L910 S911G908-L910 PolarHBondContact O-N 3.48Å; G908-S911 PolarHBondContact O-N 2.9Å; G908-S911 PolarHBondContact O-OG 3.41Å
909F52.7Low66.9Low122 Ų12266.8 Ų66.854%0.53535%0.351SS..THydrogen-bonded Turntrans-37.6-26.8174.2-143.4-95.7000116.8L857 W864L857-F909 HydrophobicContact CD2-CD2 4.33Å; L857-F909 HydrophobicContact CD2-CE2 4.18Å; W864-F909 HydrophobicContact CE3-CD1 4.46Å; W864-F909 HydrophobicContact CE3-CE1 4.41Å; W864-F909 HydrophobicContact CH2-CD1 4.11Å; W864-F909 HydrophobicContact CH2-CE1 4.4Å; W864-F909 AromaticContact CZ3-CD1 3.88Å; W864-F909 HydrophobicContact CZ3-CD1 3.88Å; W864-F909 AromaticContact CZ3-CE1 3.8Å; W864-F909 HydrophobicContact CZ3-CE1 3.8Å
910L51.2Low67.1Low11 Ų1165.5 Ų65.56%0.05835%0.345CS..THydrogen-bonded Turntrans-76.4-30-177.9-71.7172.7000113.9L844 W864 L900 Q904 G908 V912 N913 F916L844-L910 HydrophobicContact CD1-CD1 4.38Å; W864-L910 HydrophobicContact CZ2-CD2 3.6Å; L900-L910 HydrophobicContact CD1-CD1 4.09Å; L900-L910 HydrophobicContact CG-CD1 4.08Å; Q904-L910 HydrophobicContact CG-CB 4.18Å; Q904-L910 HydrophobicContact CG-CD1 4.04Å; Q904-L910 VanDerWaalsContact NE2-CD1 3.28Å; G908-L910 PolarHBondContact O-N 3.48Å; L910-V912 PolarHBondContact O-N 3.12Å; L910-V912 VanDerWaalsContact O-N 3.15Å; L910-N913 PolarHBondContact O-N 3.45Å; L910-F916 HydrophobicContact CD2-CD1 4.38Å; L910-F916 HydrophobicContact CD2-CE1 4.4Å
911S54.3Low67.1Low60 Ų6065.6 Ų65.642%0.4235%0.346SS..THydrogen-bonded Turntrans-59.1-26.2176.663.10000112.3G908G908-S911 PolarHBondContact O-N 2.9Å; G908-S911 PolarHBondContact O-OG 3.41Å
912V58.1Low67.3Low122 Ų12267.3 Ų67.374%0.73936%0.355SS*.THydrogen-bonded Turntrans-74.2-32177.2-172.50000111.7L910 R914L910-V912 PolarHBondContact O-N 3.12Å; L910-V912 VanDerWaalsContact O-N 3.15Å; V912-R914 VanDerWaalsContact C-N 3.32Å; V912-R914 PolarHBondContact O-N 3.2Å; V912-R914 VanDerWaalsContact O-N 3.09Å
913N71.5Confident67.7Low42 Ų4266.2 Ų66.223%0.22535%0.349CS..  trans-90.864.2-178.6-162.6-11.2000112.2W864 L910 K915 F916 V917W864-N913 HydrophobicContact CH2-CB 3.72Å; W864-N913 VanDerWaalsContact CH2-ND2 3.35Å; W864-N913 WeakPolarHBondContact CH2-ND2 3.25Å; W864-N913 HydrophobicContact CZ2-CB 3.7Å; W864-N913 VanDerWaalsContact CZ2-ND2 3.33Å; W864-N913 WeakPolarHBondContact CZ2-ND2 3.21Å; L910-N913 PolarHBondContact O-N 3.45Å; N913-K915 PolarHBondContact O-N 3.42Å; N913-K915 VanDerWaalsContact O-N 3.09Å; N913-F916 HydrophobicContact CB-CB 4.23Å; N913-F916 PolarHBondContact O-N 2.99Å; N913-F916 PolarHBondContact OD1-N 2.83Å; N913-V917 PolarHBondContact O-N 3.01Å
914R75.3Confident68.4Low170 Ų17064 Ų6464%0.64234%0.337SS*.Hα-helixtrans-51.6-33.6178.3-66.2-175.7178.3-174.1-2.8113.3V912 V917 H918V912-R914 VanDerWaalsContact C-N 3.32Å; V912-R914 PolarHBondContact O-N 3.2Å; V912-R914 VanDerWaalsContact O-N 3.09Å; R914-V917 PolarHBondContact O-N 3.02Å; R914-H918 VanDerWaalsContact O-CB 3.28Å; R914-H918 WeakPolarHBondContact O-CB 3.3Å; R914-H918 PolarHBondContact O-N 3.46Å
915K76.5Confident69.3Low175 Ų17566.2 Ų66.276%0.76134%0.343SS*.Hα-helixtrans-62.9-46.8177.7-68.4-174.1178.7-177.50111.8N913 H918 S919N913-K915 PolarHBondContact O-N 3.42Å; N913-K915 VanDerWaalsContact O-N 3.09Å; K915-H918 PolarHBondContact O-N 3.4Å; K915-S919 WeakPolarHBondContact O-CB 3.39Å; K915-S919 PolarHBondContact O-N 3.34Å; K915-S919 PolarHBondContact O-OG 3.31Å; K915-S919 VanDerWaalsContact O-OG 3.13Å
916F81.3Confident70.7Confident5 Ų564.8 Ų64.82%0.02232%0.324CS..Hα-helixtrans-64.3-42.8178.3176.3-103000112.5L867 I868 I871 L900 L910 N913 H918 S919 M920L867-F916 HydrophobicContact CD2-CZ 4.02Å; L867-F916 HydrophobicContact CG-CE2 4.45Å; L867-F916 HydrophobicContact CG-CZ 4.18Å; I868-F916 HydrophobicContact CB-CD2 4.2Å; I868-F916 HydrophobicContact CB-CE2 4.32Å; I868-F916 HydrophobicContact CG1-CD2 3.47Å; I868-F916 VanDerWaalsContact CG1-CD2 3.47Å; I868-F916 HydrophobicContact CG1-CE2 3.67Å; I868-F916 HydrophobicContact CG1-CG 4.18Å; I868-F916 HydrophobicContact CG2-CD2 4.43Å; I871-F916 HydrophobicContact CB-CE2 4.48Å; I871-F916 HydrophobicContact CD1-CD2 4.37Å; I871-F916 HydrophobicContact CD1-CE2 3.27Å; I871-F916 HydrophobicContact CD1-CZ 3.58Å; I871-F916 HydrophobicContact CG1-CE2 4.47Å; L900-F916 HydrophobicContact CD2-CE1 3.94Å; L900-F916 HydrophobicContact CD2-CZ 4.2Å; L910-F916 HydrophobicContact CD2-CD1 4.38Å; L910-F916 HydrophobicContact CD2-CE1 4.4Å; N913-F916 HydrophobicContact CB-CB 4.23Å; N913-F916 PolarHBondContact O-N 2.99Å; N913-F916 PolarHBondContact OD1-N 2.83Å; F916-H918 VanDerWaalsContact C-N 3.34Å; F916-S919 WeakPolarHBondContact O-CB 3.43Å; F916-S919 PolarHBondContact O-N 3.16Å; F916-M920 HydrophobicContact CE1-CG 4.26Å; F916-M920 HydrophobicContact CE2-CE 4.48Å; F916-M920 HydrophobicContact CZ-CE 4.21Å; F916-M920 HydrophobicContact CZ-CG 4.39Å; F916-M920 PolarHBondContact O-N 2.68Å
917V78.7Confident72.3Confident17 Ų1758.1 Ų58.110%0.10329%0.288CS..Hα-helixtrans-64.7-40.8177.5-178.40000110.8L901 N913 R914 M920 E921 S1012L901-V917 HydrophobicContact CD2-CG1 4.13Å; L901-V917 HydrophobicContact CD2-CG2 4.37Å; N913-V917 PolarHBondContact O-N 3.01Å; R914-V917 PolarHBondContact O-N 3.02Å; V917-M920 WeakPolarHBondContact O-CB 3.44Å; V917-M920 PolarHBondContact O-N 3.09Å; V917-E921 PolarHBondContact O-N 3.3Å; V917-S1012 VanDerWaalsContact CG1-CB 3.48Å; V917-S1012 WeakPolarHBondContact CG1-OG 3.35Å
918H80.3Confident73.9Confident116 Ų11650.7 Ų50.754%0.53725%0.248SC..Hα-helixtrans-64.6-40.7174.5-174.371.1000112.3R914 K915 F916 M920 E921 L922R914-H918 VanDerWaalsContact O-CB 3.28Å; R914-H918 WeakPolarHBondContact O-CB 3.3Å; R914-H918 PolarHBondContact O-N 3.46Å; K915-H918 PolarHBondContact O-N 3.4Å; F916-H918 VanDerWaalsContact C-N 3.34Å; H918-M920 VanDerWaalsContact C-N 3.29Å; H918-M920 PolarHBondContact O-N 3.46Å; H918-E921 PolarHBondContact O-N 3.17Å; H918-L922 WeakPolarHBondContact O-CB 3.46Å; H918-L922 PolarHBondContact O-N 3.16Å
919S81.4Confident75.1Confident19 Ų1951.7 Ų51.713%0.13325%0.247CC..Hα-helixtrans-57.6-41.7172.4-71.70000112.2I875 K915 F916 L922 L923I875-S919 VanDerWaalsContact CD1-CB 3.46Å; I875-S919 WeakPolarHBondContact CD1-OG 3.47Å; K915-S919 WeakPolarHBondContact O-CB 3.39Å; K915-S919 PolarHBondContact O-N 3.34Å; K915-S919 PolarHBondContact O-OG 3.31Å; K915-S919 VanDerWaalsContact O-OG 3.13Å; F916-S919 WeakPolarHBondContact O-CB 3.43Å; F916-S919 PolarHBondContact O-N 3.16Å; S919-L922 PolarHBondContact O-N 3.35Å; S919-L923 WeakPolarHBondContact O-CG 3.33Å; S919-L923 PolarHBondContact O-N 2.94Å
920M82.6Confident76.2Confident5 Ų545.9 Ų45.93%0.02522%0.221CC..Hα-helixtrans-62.5-47.8174.8-82.7-70.3145.300112.7F837 I871 L893 C897 F916 V917 H918 L922 L923 W924F837-M920 HydrophobicContact CE1-CE 4.18Å; F837-M920 HydrophobicContact CZ-CE 3.66Å; F837-M920 HydrophobicContact CZ-SD 4.35Å; I871-M920 HydrophobicContact CB-CE 4.16Å; I871-M920 HydrophobicContact CD1-CE 2.89Å; I871-M920 HydrophobicContact CG1-CE 3.26Å; I871-M920 HydrophobicContact CG2-CE 3.86Å; L893-M920 HydrophobicContact CD2-CE 4.45Å; C897-M920 HydrophobicContact CB-SD 3.83Å; C897-M920 PolarHBondContact SG-SD 3.23Å; F916-M920 HydrophobicContact CE1-CG 4.26Å; F916-M920 HydrophobicContact CE2-CE 4.48Å; F916-M920 HydrophobicContact CZ-CE 4.21Å; F916-M920 HydrophobicContact CZ-CG 4.39Å; F916-M920 PolarHBondContact O-N 2.68Å; V917-M920 WeakPolarHBondContact O-CB 3.44Å; V917-M920 PolarHBondContact O-N 3.09Å; H918-M920 VanDerWaalsContact C-N 3.29Å; H918-M920 PolarHBondContact O-N 3.46Å; M920-L922 VanDerWaalsContact C-N 3.31Å; M920-L922 PolarHBondContact O-N 2.8Å; M920-L923 PolarHBondContact O-N 3.14Å; M920-W924 PolarHBondContact O-N 2.68Å
921E80.7Confident77.5Confident6 Ų645.5 Ų45.53%0.02822%0.219CC..Hα-helixtrans-61.5-41.5178-169.8175.7163.200111.2V917 H918 W924 R925 S1012 R1015 L1016V917-E921 PolarHBondContact O-N 3.3Å; H918-E921 PolarHBondContact O-N 3.17Å; E921-W924 PolarHBondContact O-N 3.48Å; E921-R925 WeakPolarHBondContact O-CB 3.21Å; E921-R925 VanDerWaalsContact O-CG 3.27Å; E921-R925 WeakPolarHBondContact O-CG 3.41Å; E921-R925 PolarHBondContact O-N 2.78Å; E921-R925 IonicContact OE1-CZ 3.51Å; E921-R925 VanDerWaalsContact OE1-CZ 3.26Å; E921-R925 IonicContact OE1-NE 3.62Å; E921-R925 PolarHBondContact OE1-NE 3.43Å; E921-R925 IonicContact OE1-NH2 3.89Å; E921-R925 PolarHBondContact OE1-NH2 3.16Å; E921-S1012 PolarHBondContact OE2-OG 2.86Å; E921-R1015 WeakPolarHBondContact OE1-CD 3.49Å; E921-R1015 IonicContact OE2-NH1 2.76Å; E921-L1016 HydrophobicContact CG-CD2 4.46Å
922L81.1Confident78.8Confident44 Ų4442.9 Ų42.923%0.2320%0.201CC..Hα-helixtrans-61.4-46.9175.5-179.666.8000112H918 S919 M920 W924 R925 R926H918-L922 WeakPolarHBondContact O-CB 3.46Å; H918-L922 PolarHBondContact O-N 3.16Å; S919-L922 PolarHBondContact O-N 3.35Å; M920-L922 VanDerWaalsContact C-N 3.31Å; M920-L922 PolarHBondContact O-N 2.8Å; L922-W924 VanDerWaalsContact C-N 3.35Å; L922-W924 PolarHBondContact O-N 3.32Å; L922-R925 PolarHBondContact O-N 3.46Å; L922-R926 HydrophobicContact CD1-CG 4.41Å; L922-R926 WeakPolarHBondContact O-CB 3.31Å; L922-R926 VanDerWaalsContact O-CG 3.32Å; L922-R926 WeakPolarHBondContact O-CG 3.48Å; L922-R926 PolarHBondContact O-N 3.28Å
923L83.1Confident79.8Confident1 Ų138.2 Ų38.21%0.00517%0.17CC..Hα-helixtrans-60-45.6177.3-74.5-179.2000111.5I871 L874 I875 I878 L886 L893 S919 M920 R926 L927I871-L923 HydrophobicContact CG2-CD1 3.88Å; L874-L923 HydrophobicContact CB-CD1 4.48Å; L874-L923 HydrophobicContact CB-CD2 4.48Å; L874-L923 HydrophobicContact CD1-CD1 4.48Å; I875-L923 HydrophobicContact CD1-CG 4.46Å; I875-L923 HydrophobicContact CG1-CD1 4.42Å; I875-L923 HydrophobicContact CG1-CD2 3.75Å; I875-L923 HydrophobicContact CG1-CG 4.03Å; I878-L923 HydrophobicContact CD1-CD2 3.42Å; I878-L923 VanDerWaalsContact CD1-CD2 3.42Å; L886-L923 HydrophobicContact CD1-CD2 4.36Å; L886-L923 HydrophobicContact CD2-CD2 3.92Å; L893-L923 HydrophobicContact CD1-CB 4.45Å; L893-L923 HydrophobicContact CD1-CD1 4.42Å; L893-L923 HydrophobicContact CD2-CD1 4.41Å; S919-L923 WeakPolarHBondContact O-CG 3.33Å; S919-L923 PolarHBondContact O-N 2.94Å; M920-L923 PolarHBondContact O-N 3.14Å; L923-R926 PolarHBondContact O-N 2.92Å; L923-L927 WeakPolarHBondContact O-CB 3.06Å; L923-L927 PolarHBondContact O-N 3.48Å
924W85.6Confident80.3Confident4 Ų437.5 Ų37.52%0.01516%0.164CC..Hα-helixtrans-64.4-46.1178-170.4103.4000111.7M920 E921 L922 R926 L927 H928 L935 T939 L1016 R1019 I1020M920-W924 PolarHBondContact O-N 2.68Å; E921-W924 PolarHBondContact O-N 3.48Å; L922-W924 VanDerWaalsContact C-N 3.35Å; L922-W924 PolarHBondContact O-N 3.32Å; W924-R926 VanDerWaalsContact C-N 3.31Å; W924-R926 PolarHBondContact O-N 3.34Å; W924-L927 WeakPolarHBondContact O-CB 3.49Å; W924-L927 PolarHBondContact O-N 2.87Å; W924-L927 VanDerWaalsContact O-N 3.12Å; W924-H928 HydrophobicContact CE3-CB 4.08Å; W924-H928 HydrophobicContact CH2-CB 4.37Å; W924-H928 AromaticContact CH2-CD2 3.63Å; W924-H928 HydrophobicContact CZ3-CB 3.84Å; W924-H928 AromaticContact CZ3-CD2 3.88Å; W924-H928 AromaticContact CZ3-CG 3.87Å; W924-H928 PolarHBondContact O-N 3.48Å; W924-L935 HydrophobicContact CD2-CD2 3.73Å; W924-L935 HydrophobicContact CD2-CG 4.27Å; W924-L935 HydrophobicContact CE3-CD2 4.25Å; W924-L935 HydrophobicContact CG-CD2 4.12Å; W924-L935 HydrophobicContact CH2-CD2 4.44Å; W924-L935 HydrophobicContact CZ2-CD2 3.94Å; W924-L935 HydrophobicContact CZ2-CG 3.88Å; W924-L935 WeakPolarHBondContact O-CD2 2.94Å; W924-T939 HydrophobicContact CZ2-CG2 4.4Å; W924-T939 PolarHBondContact NE1-OG1 3.19Å; W924-L1016 HydrophobicContact CB-CD2 3.83Å; W924-L1016 HydrophobicContact CD2-CD2 3.24Å; W924-L1016 HydrophobicContact CE3-CD2 3.16Å; W924-L1016 HydrophobicContact CG-CD2 3.54Å; W924-L1016 HydrophobicContact CH2-CD2 4.4Å; W924-L1016 HydrophobicContact CZ2-CD2 4.46Å; W924-L1016 HydrophobicContact CZ3-CD2 3.79Å; W924-R1019 HydrophobicContact CH2-CG 4.37Å; W924-R1019 HydrophobicContact CZ3-CB 4.46Å; W924-R1019 HydrophobicContact CZ3-CG 4.11Å; W924-I1020 HydrophobicContact CH2-CD1 4.47Å; W924-I1020 HydrophobicContact CH2-CG1 3.95Å; W924-I1020 HydrophobicContact CZ2-CD1 4.08Å; W924-I1020 HydrophobicContact CZ2-CG1 4.01Å
925R81.3Confident80.7Confident96 Ų9629.4 Ų29.436%0.36213%0.134SC..Hα-helixtrans-59.9-41177.3-74.3177.1-178.9-1612111.6E770 E921 L922 L927 H928 L929E770-R925 IonicContact OE2-NH1 2.67Å; E770-R925 PolarHBondContact OE2-NH1 3.3Å; E921-R925 WeakPolarHBondContact O-CB 3.21Å; E921-R925 VanDerWaalsContact O-CG 3.27Å; E921-R925 WeakPolarHBondContact O-CG 3.41Å; E921-R925 PolarHBondContact O-N 2.78Å; E921-R925 IonicContact OE1-CZ 3.51Å; E921-R925 VanDerWaalsContact OE1-CZ 3.26Å; E921-R925 IonicContact OE1-NE 3.62Å; E921-R925 PolarHBondContact OE1-NE 3.43Å; E921-R925 IonicContact OE1-NH2 3.89Å; E921-R925 PolarHBondContact OE1-NH2 3.16Å; L922-R925 PolarHBondContact O-N 3.46Å; R925-L927 VanDerWaalsContact C-N 3.35Å; R925-H928 WeakPolarHBondContact O-CB 3.24Å; R925-H928 PolarHBondContact O-N 2.91Å; R925-L929 PolarHBondContact O-N 3.49Å
926R79.6Confident81.1Confident15 Ų1521.6 Ų21.66%0.05710%0.1CC..Hα-helixtrans-64.8-38.9175.4-74.7-178.9176.4179.71111.9D774 L883 L886 L922 L923 W924 H928 L929D774-R926 IonicContact OD1-NH2 2.87Å; D774-R926 IonicContact OD2-NH2 3.26Å; D774-R926 PolarHBondContact OD2-NH2 3.43Å; D774-R926 VanDerWaalsContact OD2-NH2 3.14Å; L883-R926 HydrophobicContact CD2-CB 4.15Å; L886-R926 HydrophobicContact CD1-CB 4.32Å; L922-R926 HydrophobicContact CD1-CG 4.41Å; L922-R926 WeakPolarHBondContact O-CB 3.31Å; L922-R926 VanDerWaalsContact O-CG 3.32Å; L922-R926 WeakPolarHBondContact O-CG 3.48Å; L922-R926 PolarHBondContact O-N 3.28Å; L923-R926 PolarHBondContact O-N 2.92Å; W924-R926 VanDerWaalsContact C-N 3.31Å; W924-R926 PolarHBondContact O-N 3.34Å; R926-H928 VanDerWaalsContact C-N 3.35Å; R926-L929 WeakPolarHBondContact O-CB 3.37Å; R926-L929 PolarHBondContact O-N 3.11Å
927L81.6Confident81.1Confident0 Ų022.3 Ų22.30%010%0.104CC..Hα-helixtrans-68-34.8176-164.866.1000112.6L886 G890 L923 W924 R925 L929 I930 M931 L935L886-L927 HydrophobicContact CB-CD1 4.13Å; G890-L927 VanDerWaalsContact CA-CD2 3.44Å; L923-L927 WeakPolarHBondContact O-CB 3.06Å; L923-L927 PolarHBondContact O-N 3.48Å; W924-L927 WeakPolarHBondContact O-CB 3.49Å; W924-L927 PolarHBondContact O-N 2.87Å; W924-L927 VanDerWaalsContact O-N 3.12Å; R925-L927 VanDerWaalsContact C-N 3.35Å; L927-L929 PolarHBondContact O-N 2.83Å; L927-I930 PolarHBondContact O-N 3.11Å; L927-M931 HydrophobicContact CD1-CE 3.31Å; L927-M931 HydrophobicContact CD1-CG 4.45Å; L927-M931 HydrophobicContact CD2-CE 4.09Å; L927-M931 HydrophobicContact CG-CE 3.79Å; L927-M931 HydrophobicContact CG-CG 4.31Å; L927-M931 PolarHBondContact O-N 3.25Å; L927-L935 HydrophobicContact CB-CD2 3.89Å; L927-L935 HydrophobicContact CD2-CD1 3.57Å; L927-L935 HydrophobicContact CD2-CD2 4.17Å; L927-L935 HydrophobicContact CD2-CG 4.43Å; L927-L935 HydrophobicContact CG-CD1 4.32Å; L927-L935 HydrophobicContact CG-CD2 4.09Å
928H83.7Confident81.3Confident8 Ų823.4 Ų23.44%0.03711%0.109CC..Hα-helixtrans-60.8-30.8176.9-171.6-103000112.1W924 R925 R926 I930 P932 L935 E936W924-H928 HydrophobicContact CE3-CB 4.08Å; W924-H928 HydrophobicContact CH2-CB 4.37Å; W924-H928 AromaticContact CH2-CD2 3.63Å; W924-H928 HydrophobicContact CZ3-CB 3.84Å; W924-H928 AromaticContact CZ3-CD2 3.88Å; W924-H928 AromaticContact CZ3-CG 3.87Å; W924-H928 PolarHBondContact O-N 3.48Å; R925-H928 WeakPolarHBondContact O-CB 3.24Å; R925-H928 PolarHBondContact O-N 2.91Å; R926-H928 VanDerWaalsContact C-N 3.35Å; H928-I930 PolarHBondContact O-N 3.26Å; H928-P932 WeakPolarHBondContact NE2-CB 3.29Å; H928-P932 WeakPolarHBondContact O-CA 3.5Å; H928-P932 VanDerWaalsContact O-CB 3.31Å; H928-P932 WeakPolarHBondContact O-CB 3.36Å; H928-P932 VanDerWaalsContact O-CD 3.24Å; H928-P932 WeakPolarHBondContact O-CD 3.37Å; H928-L935 VanDerWaalsContact CA-CD2 3.49Å; H928-L935 HydrophobicContact CB-CD2 3.74Å; H928-L935 VanDerWaalsContact N-CD2 3.3Å; H928-E936 IonicContact CD2-OE1 3.16Å; H928-E936 IonicContact CE1-OE1 3.55Å; H928-E936 IonicContact NE2-OE1 2.74Å; H928-E936 PolarHBondContact NE2-OE1 2.98Å
929L76.7Confident81.4Confident48 Ų4817.9 Ų17.925%0.2518%0.083SC..THydrogen-bonded Turntrans-67.3-20.4174.1-61.2175.7000113.6W777 R925 R926 L927W777-L929 HydrophobicContact CZ2-CD1 4.5Å; R925-L929 PolarHBondContact O-N 3.49Å; R926-L929 WeakPolarHBondContact O-CB 3.37Å; R926-L929 PolarHBondContact O-N 3.11Å; L927-L929 PolarHBondContact O-N 2.83Å
930I74.9Confident81.5Confident0 Ų017 Ų170%08%0.077CC..THydrogen-bonded Turntrans-103.4-45.9-174.1-45171000111.4T729 Y730 L883 L887 L927 H928T729-I930 PolarHBondContact OG1-O 3.24Å; Y730-I930 HydrophobicContact CD2-CG2 3.73Å; Y730-I930 HydrophobicContact CE2-CG2 4.49Å; L883-I930 HydrophobicContact CB-CD1 3.61Å; L883-I930 HydrophobicContact CB-CG1 4.49Å; L883-I930 HydrophobicContact CD2-CD1 3.99Å; L883-I930 HydrophobicContact CD2-CG1 4.15Å; L883-I930 HydrophobicContact CG-CD1 4.44Å; L887-I930 HydrophobicContact CD2-CB 4.41Å; L887-I930 HydrophobicContact CD2-CD1 4.44Å; L887-I930 HydrophobicContact CD2-CG2 3.69Å; L927-I930 PolarHBondContact O-N 3.11Å; H928-I930 PolarHBondContact O-N 3.26Å
931M79.5Confident81.4Confident3 Ų319.2 Ų19.22%0.0159%0.089CC..  trans-137.261.7-17758.7171.514500113F653 C654 L887 L927 R933 R934 L935F653-M931 HydrophobicContact CD1-CE 4.18Å; F653-M931 HydrophobicContact CD1-SD 4.15Å; F653-M931 HydrophobicContact CE1-CE 4.02Å; F653-M931 HydrophobicContact CE1-SD 4.29Å; C654-M931 HydrophobicContact CB-CB 3.95Å; L887-M931 HydrophobicContact CD2-CE 3.9Å; L927-M931 HydrophobicContact CD1-CE 3.31Å; L927-M931 HydrophobicContact CD1-CG 4.45Å; L927-M931 HydrophobicContact CD2-CE 4.09Å; L927-M931 HydrophobicContact CG-CE 3.79Å; L927-M931 HydrophobicContact CG-CG 4.31Å; L927-M931 PolarHBondContact O-N 3.25Å; M931-R933 PolarHBondContact O-N 2.91Å; M931-R934 HydrophobicContact CB-CB 4.44Å; M931-R934 PolarHBondContact O-N 3.09Å; M931-R934 HydrophobicContact SD-CB 4.43Å; M931-R934 HydrophobicContact SD-CG 4.49Å; M931-L935 WeakPolarHBondContact O-CB 3.35Å; M931-L935 PolarHBondContact O-N 3.04Å
932P81.7Confident81.3Confident5 Ų522.6 Ų22.63%0.03210%0.101CC..Hα-helixtrans-57.4-53.2-171.522-30.7000111.9T729 L760 H928 R934 L935 E936T729-P932 HydrophobicContact CG2-CG 3.69Å; T729-P932 WeakPolarHBondContact OG1-CD 3.31Å; L760-P932 HydrophobicContact CD2-CG 4.13Å; H928-P932 WeakPolarHBondContact NE2-CB 3.29Å; H928-P932 WeakPolarHBondContact O-CA 3.5Å; H928-P932 VanDerWaalsContact O-CB 3.31Å; H928-P932 WeakPolarHBondContact O-CB 3.36Å; H928-P932 VanDerWaalsContact O-CD 3.24Å; H928-P932 WeakPolarHBondContact O-CD 3.37Å; P932-R934 PolarHBondContact O-N 3.49Å; P932-L935 PolarHBondContact O-N 2.92Å; P932-E936 VanDerWaalsContact O-CB 3.28Å; P932-E936 WeakPolarHBondContact O-CB 3.26Å; P932-E936 WeakPolarHBondContact O-CG 3.34Å; P932-E936 PolarHBondContact O-N 3.43Å
933R79.8Confident81.4Confident23 Ų2320.5 Ų20.59%0.0879%0.09CC..Hα-helixtrans-57.6-47.3-177.2-72.7-170.4-178.5179.88.1113.3P656 D724 H759 L760 M931 L937P656-R933 HydrophobicContact CB-CB 4.17Å; P656-R933 HydrophobicContact CG-CB 4.17Å; D724-R933 IonicContact OD1-NH1 3.53Å; D724-R933 PolarHBondContact OD1-NH1 2.68Å; H759-R933 PolarHBondContact NE2-NE 3.44Å; H759-R933 PolarHBondContact NE2-NH2 3.06Å; H759-R933 VanDerWaalsContact NE2-NH2 3.17Å; L760-R933 HydrophobicContact CD2-CG 3.84Å; M931-R933 PolarHBondContact O-N 2.91Å; R933-L937 WeakPolarHBondContact O-CB 3.27Å; R933-L937 WeakPolarHBondContact O-CD1 3.5Å; R933-L937 VanDerWaalsContact O-CG 3.28Å; R933-L937 WeakPolarHBondContact O-CG 3.1Å; R933-L937 PolarHBondContact O-N 3.14Å
934R80.9Confident81.2Confident27 Ų2722.4 Ų22.410%0.10210%0.097CC..Hα-helixtrans-66.3-42.3-179.3-176.8174.2175.6154.80110.5F653 M931 P932 L937 I938F653-R934 WeakPolarHBondContact O-CD 3.38Å; F653-R934 PolarHBondContact O-NH1 3.09Å; M931-R934 HydrophobicContact CB-CB 4.44Å; M931-R934 PolarHBondContact O-N 3.09Å; M931-R934 HydrophobicContact SD-CB 4.43Å; M931-R934 HydrophobicContact SD-CG 4.49Å; P932-R934 PolarHBondContact O-N 3.49Å; R934-L937 PolarHBondContact O-N 3.4Å; R934-I938 HydrophobicContact CG-CD1 3.85Å; R934-I938 WeakPolarHBondContact O-CD1 3.48Å; R934-I938 VanDerWaalsContact O-CG1 3.26Å; R934-I938 WeakPolarHBondContact O-CG1 3.21Å; R934-I938 PolarHBondContact O-N 3.2Å; R934-I938 VanDerWaalsContact O-N 3.09Å
935L83.2Confident80.1Confident1 Ų123.4 Ų23.41%0.00511%0.105CC..Hα-helixtrans-62.6-49.5177.5-17760.3000111.6A894 W924 L927 H928 M931 P932 L937 I938 T939A894-L935 HydrophobicContact CB-CD1 3.36Å; W924-L935 HydrophobicContact CD2-CD2 3.73Å; W924-L935 HydrophobicContact CD2-CG 4.27Å; W924-L935 HydrophobicContact CE3-CD2 4.25Å; W924-L935 HydrophobicContact CG-CD2 4.12Å; W924-L935 HydrophobicContact CH2-CD2 4.44Å; W924-L935 HydrophobicContact CZ2-CD2 3.94Å; W924-L935 HydrophobicContact CZ2-CG 3.88Å; W924-L935 WeakPolarHBondContact O-CD2 2.94Å; L927-L935 HydrophobicContact CB-CD2 3.89Å; L927-L935 HydrophobicContact CD2-CD1 3.57Å; L927-L935 HydrophobicContact CD2-CD2 4.17Å; L927-L935 HydrophobicContact CD2-CG 4.43Å; L927-L935 HydrophobicContact CG-CD1 4.32Å; L927-L935 HydrophobicContact CG-CD2 4.09Å; H928-L935 VanDerWaalsContact CA-CD2 3.49Å; H928-L935 HydrophobicContact CB-CD2 3.74Å; H928-L935 VanDerWaalsContact N-CD2 3.3Å; M931-L935 WeakPolarHBondContact O-CB 3.35Å; M931-L935 PolarHBondContact O-N 3.04Å; P932-L935 PolarHBondContact O-N 2.92Å; L935-L937 PolarHBondContact O-N 3.31Å; L935-I938 PolarHBondContact O-N 3.29Å; L935-T939 VanDerWaalsContact O-CB 3.26Å; L935-T939 WeakPolarHBondContact O-CB 3.46Å; L935-T939 PolarHBondContact O-N 3.22Å; L935-T939 PolarHBondContact O-OG1 3.5Å; L935-T939 VanDerWaalsContact O-OG1 3.08Å
936E85.1Confident78.8Confident11 Ų1123.5 Ų23.55%0.05112%0.12CC..Hα-helixtrans-56.3-47.2176.3-71.6166.7175.300111.4H928 P932 T939 M940 I1020 S1023H928-E936 IonicContact CD2-OE1 3.16Å; H928-E936 IonicContact CE1-OE1 3.55Å; H928-E936 IonicContact NE2-OE1 2.74Å; H928-E936 PolarHBondContact NE2-OE1 2.98Å; P932-E936 VanDerWaalsContact O-CB 3.28Å; P932-E936 WeakPolarHBondContact O-CB 3.26Å; P932-E936 WeakPolarHBondContact O-CG 3.34Å; P932-E936 PolarHBondContact O-N 3.43Å; E936-T939 PolarHBondContact O-N 3.3Å; E936-M940 WeakPolarHBondContact O-CB 3.28Å; E936-M940 PolarHBondContact O-N 3.35Å; E936-I1020 HydrophobicContact CB-CG1 4.44Å; E936-I1020 HydrophobicContact CB-CG2 4Å; E936-I1020 HydrophobicContact CG-CB 4.4Å; E936-I1020 HydrophobicContact CG-CG1 4.01Å; E936-I1020 HydrophobicContact CG-CG2 4.02Å; E936-S1023 VanDerWaalsContact OE1-CB 3.27Å; E936-S1023 WeakPolarHBondContact OE1-CB 3.38Å; E936-S1023 PolarHBondContact OE1-OG 3.48Å; E936-S1023 PolarHBondContact OE2-OG 2.96Å
937L82.4Confident77Confident19 Ų1929.6 Ų29.610%0.09915%0.154CC..Hα-helixtrans-61.1-46.2178.5-82.3165.2000112.9P656 R933 R934 L935 N941 L986 L991P656-L937 HydrophobicContact CB-CD1 3.94Å; R933-L937 WeakPolarHBondContact O-CB 3.27Å; R933-L937 WeakPolarHBondContact O-CD1 3.5Å; R933-L937 VanDerWaalsContact O-CG 3.28Å; R933-L937 WeakPolarHBondContact O-CG 3.1Å; R933-L937 PolarHBondContact O-N 3.14Å; R934-L937 PolarHBondContact O-N 3.4Å; L935-L937 PolarHBondContact O-N 3.31Å; L937-N941 VanDerWaalsContact O-CB 3.31Å; L937-N941 WeakPolarHBondContact O-CB 3.28Å; L937-N941 PolarHBondContact O-N 3.42Å; L937-N941 PolarHBondContact O-ND2 2.94Å; L937-L986 VanDerWaalsContact CD2-O 3.32Å; L937-L986 WeakPolarHBondContact CD2-O 3.44Å; L937-L991 HydrophobicContact CD2-CD1 3.32Å; L937-L991 HydrophobicContact CG-CD1 3.79Å
938I81.4Confident74.8Confident41 Ų4135.2 Ų35.221%0.2118%0.184CC..Hα-helixtrans-68.1-47.3-179.4-63.9164.6000109.8P891 A894 E895 R934 L935 M940 N941 R942P891-I938 HydrophobicContact CB-CD1 4.06Å; A894-I938 HydrophobicContact CB-CB 3.77Å; A894-I938 HydrophobicContact CB-CD1 4.32Å; A894-I938 HydrophobicContact CB-CG2 3.5Å; A894-I938 VanDerWaalsContact CB-CG2 3.5Å; E895-I938 HydrophobicContact CB-CG2 4.06Å; R934-I938 HydrophobicContact CG-CD1 3.85Å; R934-I938 WeakPolarHBondContact O-CD1 3.48Å; R934-I938 VanDerWaalsContact O-CG1 3.26Å; R934-I938 WeakPolarHBondContact O-CG1 3.21Å; R934-I938 PolarHBondContact O-N 3.2Å; R934-I938 VanDerWaalsContact O-N 3.09Å; L935-I938 PolarHBondContact O-N 3.29Å; I938-M940 PolarHBondContact O-N 3.02Å; I938-N941 PolarHBondContact O-N 3.29Å; I938-R942 WeakPolarHBondContact O-CB 3.01Å; I938-R942 PolarHBondContact O-N 2.91Å; I938-R942 VanDerWaalsContact O-N 3.11Å
939T84.2Confident72.3Confident0 Ų041.1 Ų41.10%022%0.216CC..Hα-helixtrans-62.6-43.1179.2-65.40000111.4A894 P898 W924 L935 E936 R942 I943 I1020A894-T939 PolarHBondContact O-OG1 3.39Å; A894-T939 VanDerWaalsContact O-OG1 3.08Å; P898-T939 HydrophobicContact CG-CG2 3.79Å; W924-T939 HydrophobicContact CZ2-CG2 4.4Å; W924-T939 PolarHBondContact NE1-OG1 3.19Å; L935-T939 VanDerWaalsContact O-CB 3.26Å; L935-T939 WeakPolarHBondContact O-CB 3.46Å; L935-T939 PolarHBondContact O-N 3.22Å; L935-T939 PolarHBondContact O-OG1 3.5Å; L935-T939 VanDerWaalsContact O-OG1 3.08Å; E936-T939 PolarHBondContact O-N 3.3Å; T939-R942 PolarHBondContact O-N 2.86Å; T939-I943 HydrophobicContact CG2-CD1 3.56Å; T939-I943 HydrophobicContact CG2-CG1 4.45Å; T939-I943 WeakPolarHBondContact O-CB 3.18Å; T939-I943 VanDerWaalsContact O-CG1 3.23Å; T939-I943 WeakPolarHBondContact O-CG1 3.23Å; T939-I943 PolarHBondContact O-N 3.1Å; T939-I943 VanDerWaalsContact O-N 3.1Å; T939-I1020 HydrophobicContact CG2-CD1 3.68Å
940M82.6Confident70.2Confident0 Ų043.5 Ų43.50%023%0.234CC..Hα-helixtrans-64.6-50.2177.7-171.159.663.300111.7E936 I938 R942 I943 R944 L986 L991 V999 V1003 F1017 I1020E936-M940 WeakPolarHBondContact O-CB 3.28Å; E936-M940 PolarHBondContact O-N 3.35Å; I938-M940 PolarHBondContact O-N 3.02Å; M940-R942 PolarHBondContact O-N 3.24Å; M940-R942 VanDerWaalsContact O-N 3.12Å; M940-I943 PolarHBondContact O-N 3.46Å; M940-I943 VanDerWaalsContact O-N 3.08Å; M940-R944 WeakPolarHBondContact O-CG 3.39Å; M940-R944 PolarHBondContact O-N 3.37Å; M940-L986 HydrophobicContact CG-CD1 3.86Å; M940-L991 HydrophobicContact CE-CD2 4.49Å; M940-L991 HydrophobicContact CG-CD2 4.42Å; M940-V999 HydrophobicContact CE-CB 4.29Å; M940-V999 HydrophobicContact CE-CG1 3.42Å; M940-V999 VanDerWaalsContact CE-CG1 3.42Å; M940-V999 HydrophobicContact CE-CG2 4.19Å; M940-V999 HydrophobicContact SD-CG1 4.11Å; M940-V1003 HydrophobicContact SD-CG2 3.79Å; M940-F1017 HydrophobicContact CE-CD2 4.15Å; M940-F1017 HydrophobicContact CE-CE2 4.1Å; M940-I1020 HydrophobicContact CE-CB 4.08Å; M940-I1020 HydrophobicContact CE-CD1 4.23Å; M940-I1020 HydrophobicContact CE-CG2 3.44Å; M940-I1020 VanDerWaalsContact CE-CG2 3.44Å
941N80.7Confident68Low52 Ų5249.6 Ų49.628%0.27827%0.274SS..Hα-helixtrans-58.8-28.5178.9-80.4-51.3000112.5L937 I938 L986L937-N941 VanDerWaalsContact O-CB 3.31Å; L937-N941 WeakPolarHBondContact O-CB 3.28Å; L937-N941 PolarHBondContact O-N 3.42Å; L937-N941 PolarHBondContact O-ND2 2.94Å; I938-N941 PolarHBondContact O-N 3.29Å; N941-L986 PolarHBondContact ND2-O 2.92Å; N941-L986 PolarHBondContact OD1-N 2.78Å
942R79.3Confident65.7Low76 Ų7655.7 Ų55.729%0.28731%0.312SS..Hα-helixtrans-78.9-34176.5-17469.8-149170.78.9114.1E895 P898 K899 I938 T939 M940 R944E895-R942 HydrophobicContact CG-CG 4.36Å; E895-R942 WeakPolarHBondContact O-CG 3.39Å; E895-R942 IonicContact OE1-NH1 2.62Å; P898-R942 HydrophobicContact CB-CG 4.35Å; K899-R942 HydrophobicContact CB-CG 4.49Å; I938-R942 WeakPolarHBondContact O-CB 3.01Å; I938-R942 PolarHBondContact O-N 2.91Å; I938-R942 VanDerWaalsContact O-N 3.11Å; T939-R942 PolarHBondContact O-N 2.86Å; M940-R942 PolarHBondContact O-N 3.24Å; M940-R942 VanDerWaalsContact O-N 3.12Å; R942-R944 VanDerWaalsContact C-N 3.32Å
943I81.8Confident63.1Low0 Ų064.4 Ų64.40%035%0.349CS..Hα-helixtrans-79.5-14.4-175-72.5171.8000112.6P898 T939 M940 V1003 D1004 V1007 L1013P898-I943 HydrophobicContact CB-CD1 4.15Å; P898-I943 HydrophobicContact CB-CG1 3.77Å; P898-I943 HydrophobicContact CG-CD1 4.46Å; P898-I943 HydrophobicContact CG-CG1 4.47Å; T939-I943 HydrophobicContact CG2-CD1 3.56Å; T939-I943 HydrophobicContact CG2-CG1 4.45Å; T939-I943 WeakPolarHBondContact O-CB 3.18Å; T939-I943 VanDerWaalsContact O-CG1 3.23Å; T939-I943 WeakPolarHBondContact O-CG1 3.23Å; T939-I943 PolarHBondContact O-N 3.1Å; T939-I943 VanDerWaalsContact O-N 3.1Å; M940-I943 PolarHBondContact O-N 3.46Å; M940-I943 VanDerWaalsContact O-N 3.08Å; I943-V1003 HydrophobicContact CG2-CB 4.45Å; I943-V1003 HydrophobicContact CG2-CG1 3.85Å; I943-V1003 HydrophobicContact CG2-CG2 4.17Å; I943-D1004 VanDerWaalsContact O-CB 3.31Å; I943-D1004 WeakPolarHBondContact O-CB 3.37Å; I943-D1004 PolarHBondContact O-N 3.28Å; I943-V1007 HydrophobicContact CG2-CB 4.48Å; I943-V1007 HydrophobicContact CG2-CG2 3.28Å; I943-L1013 HydrophobicContact CD1-CD1 3.66Å; I943-L1013 HydrophobicContact CD1-CG 4.16Å; I943-L1013 HydrophobicContact CG1-CD1 4.26Å
944R78.3Confident60.7Low41 Ų4170.7 Ų70.716%0.15538%0.384CS..BIsolated β-bridgetrans-58.6138.5-179.9-70.3168.281.9-1636.1112.4M940 R942 K984 E1002M940-R944 WeakPolarHBondContact O-CG 3.39Å; M940-R944 PolarHBondContact O-N 3.37Å; R942-R944 VanDerWaalsContact C-N 3.32Å; R944-K984 PolarHBondContact NH1-O 3.2Å; R944-E1002 VanDerWaalsContact CA-O 3.31Å; R944-E1002 WeakPolarHBondContact CA-O 3.43Å; R944-E1002 HydrophobicContact CG-CB 4.13Å; R944-E1002 IonicContact CZ-OE1 3.35Å; R944-E1002 IonicContact CZ-OE2 2.65Å; R944-E1002 IonicContact NE-OE1 3.47Å; R944-E1002 IonicContact NE-OE2 2.92Å; R944-E1002 PolarHBondContact NE-OE2 2.93Å; R944-E1002 IonicContact NH2-OE1 2.87Å; R944-E1002 PolarHBondContact NH2-OE1 3.32Å; R944-E1002 IonicContact NH2-OE2 3.29Å; R944-E1002 PolarHBondContact NH2-OE2 3Å
945S63Low58.1Low26 Ų2676.3 Ų76.318%0.18242%0.422CS..  trans-70.1137.3179.172.90000112.2N947 E1002S945-N947 VanDerWaalsContact C-N 3.31Å; S945-E1002 PolarHBondContact N-O 2.76Å
946S54.9Low55.3Low97 Ų9781.4 Ų81.468%0.67846%0.457SS*.  trans-83.80.5175.8-1720000113.9N948S946-N948 PolarHBondContact O-N 3.02Å
947N41.6Very low52.5Low144 Ų14485.9 Ų85.977%0.7749%0.49SS*.  trans-99.622.2-149.2-103.413.5000118.1S945S945-N947 VanDerWaalsContact C-N 3.31Å
948N35.1Very low50Low118 Ų11892.1 Ų92.163%0.63153%0.528SS*.  trans-105.815.7-179.8-78.32.5000116.3S946 P950S946-N948 PolarHBondContact O-N 3.02Å; N948-P950 WeakPolarHBondContact O-CD 3.34Å
949D31.1Very low47.4Very low132 Ų13299.2 Ų99.271%0.70656%0.558SS**  trans-89.4114.8168.4-74.4-22.4000109.7
950P31.8Very low44.6Very low97 Ų97106 Ų10663%0.6360%0.599SS**  trans-64.9152.1176.428.1-32.6000109.9N948 T952N948-P950 WeakPolarHBondContact O-CD 3.34Å; P950-T952 PolarHBondContact O-N 3.37Å
951P30.6Very low41.9Very low128 Ų128112.3 Ų112.383%0.83164%0.638SS**  trans-71.490.2-170.629.7-34.1000110.6K953P951-K953 PolarHBondContact O-N 3.49Å
952T30.9Very low39.2Very low132 Ų132115 Ų11581%0.8166%0.661SS**  trans-77.2105.7175.652.10000109.9P950P950-T952 PolarHBondContact O-N 3.37Å
953K27Very low36.8Very low187 Ų187118.8 Ų118.881%0.81369%0.685SS**  trans-49.3135.9167.7-72.5174.2175.2175.20111.7P951P951-K953 PolarHBondContact O-N 3.49Å
954N28Very low34.2Very low155 Ų155123 Ų12383%0.82971%0.714SS**  trans36.696.4146.5-61.5-7.4000117.5
955T27.3Very low31.9Very low146 Ų146127.6 Ų127.690%0.89675%0.748SS**  trans-128.594.8149.3440000109.7
956S24.5Very low30.3Very low107 Ų107131.8 Ų131.875%0.74877%0.772SS**  trans-63.3148.4163.346.20000112
957S25.8Very low29.4Very low106 Ų106133 Ų13374%0.74177%0.771SS**  trans6594.3156.370.70000118.2
958V29.2Very low29.3Very low149 Ų149131.3 Ų131.390%0.90377%0.768SS**  trans-115.2118.7145.7178.10000107.6
959K27.1Very low29.2Very low191 Ų191131.8 Ų131.883%0.8377%0.77SS**  trans-64.6132.9-176.1-75.2171.8174174.40110.7T961K959-T961 PolarHBondContact O-N 3.18Å
960T25.6Very low29.4Very low141 Ų141129.8 Ų129.887%0.86576%0.759SS**  trans-53.8111.5165.844.20000111.4
961T25.9Very low29.6Very low133 Ų133130.9 Ų130.982%0.81676%0.759SS**  trans-104.4111.8159450000108.9K959K959-T961 PolarHBondContact O-N 3.18Å
962S25Very low29.8Very low108 Ų108132.2 Ų132.276%0.75575%0.752SS**  trans-45.5133.2167.350.20000113.3
963I28.9Very low30.1Very low157 Ų157130.5 Ų130.581%0.80574%0.737SS**  trans-156116.4142.3-86.4132.4000108.8
964S26.9Very low30.4Very low87 Ų87127.9 Ų127.961%0.60873%0.728SS**  trans26.7113.1154.163.50000122.2
965T29.3Very low30.7Very low139 Ų139122.3 Ų122.385%0.85370%0.703SS**  trans44.979.1131.662.80000117.8
966T29.9Very low31.2Very low114 Ų114118.2 Ų118.270%0.69968%0.681SS**  trans-131.9144.1151.947.90000108.7
967N37.2Very low31.8Very low123 Ų123118.4 Ų118.466%0.65867%0.672SS**  trans-58.9142.5-164.3-80.9-39000112.7L969 D970N967-L969 PolarHBondContact O-N 2.89Å; N967-D970 PolarHBondContact O-N 3.48Å; N967-D970 VanDerWaalsContact O-N 3.12Å
968P38.7Very low32.3Very low108 Ų108119.7 Ų119.770%0.70167%0.67SS**Hα-helixtrans-62.6-9.4-176.322.5-31.7000115F972P968-F972 PolarHBondContact O-N 3.15Å
969L33.4Very low32.7Very low128 Ų128119.2 Ų119.267%0.6766%0.661SS**Hα-helixtrans-76.5-34.4174.8-83.8163.6000113.3N967 L971 F972 I973N967-L969 PolarHBondContact O-N 2.89Å; L969-L971 VanDerWaalsContact C-N 3.32Å; L969-L971 PolarHBondContact O-N 3.45Å; L969-F972 PolarHBondContact O-N 2.89Å; L969-I973 PolarHBondContact O-N 3.35Å
970D34Very low33.2Very low90 Ų90115.1 Ų115.148%0.48165%0.648SS.*Hα-helixtrans-70.7-33.8179.1-73.4-31.8000110.6N967 F972 I973 E974N967-D970 PolarHBondContact O-N 3.48Å; N967-D970 VanDerWaalsContact O-N 3.12Å; D970-F972 VanDerWaalsContact C-N 3.3Å; D970-F972 PolarHBondContact O-N 2.66Å; D970-I973 PolarHBondContact O-N 2.94Å; D970-E974 PolarHBondContact O-N 3.49Å
971L37.7Very low34.1Very low120 Ų120111.7 Ų111.763%0.62863%0.63SS**Hα-helixtrans-66.7-30.5173.4-126.1112.8000112.7L969 A975L969-L971 VanDerWaalsContact C-N 3.32Å; L969-L971 PolarHBondContact O-N 3.45Å; L971-A975 WeakPolarHBondContact O-CB 3.36Å; L971-A975 PolarHBondContact O-N 2.64Å
972F34.9Very low34.9Very low155 Ų155116.6 Ų116.668%0.6863%0.633SS**Hα-helixtrans-77.1-33.3179.6-141.4-87.5000112.1P968 L969 D970 S976P968-F972 PolarHBondContact O-N 3.15Å; L969-F972 PolarHBondContact O-N 2.89Å; D970-F972 VanDerWaalsContact C-N 3.3Å; D970-F972 PolarHBondContact O-N 2.66Å; F972-S976 WeakPolarHBondContact O-CB 3.46Å; F972-S976 PolarHBondContact O-N 3.49Å; F972-S976 PolarHBondContact O-OG 3.4Å
973I35.7Very low36.5Very low97 Ų97115.8 Ų115.850%0.49761%0.614SS.*Hα-helixtrans-76.8-41.5176.6-63.6173.5000110.7L969 D970 A975 S976 I977L969-I973 PolarHBondContact O-N 3.35Å; D970-I973 PolarHBondContact O-N 2.94Å; I973-A975 VanDerWaalsContact C-N 3.34Å; I973-S976 WeakPolarHBondContact CA-OG 3.35Å; I973-S976 PolarHBondContact O-N 2.76Å; I973-S976 PolarHBondContact O-OG 3.41Å; I973-I977 HydrophobicContact CG2-CD1 4.09Å; I973-I977 WeakPolarHBondContact O-CG1 3.41Å; I973-I977 PolarHBondContact O-N 3.05Å; I973-I977 VanDerWaalsContact O-N 3.11Å
974E33.9Very low38.3Very low132 Ų132116.5 Ų116.562%0.61761%0.611SS**Hα-helixtrans-64.7-39.4171.3-95.6-174.4160.500111.6D970 S976 I977 L978D970-E974 PolarHBondContact O-N 3.49Å; E974-S976 PolarHBondContact O-N 2.97Å; E974-I977 PolarHBondContact O-N 3.13Å; E974-L978 VanDerWaalsContact O-CB 3.28Å; E974-L978 WeakPolarHBondContact O-CB 3.49Å; E974-L978 PolarHBondContact O-N 3.26Å
975A35Very low40.4Very low38 Ų38116.4 Ų116.431%0.31461%0.608SS.*Hα-helixtrans-64.6-38.7176.700000112.8L971 I973 L978 I979L971-A975 WeakPolarHBondContact O-CB 3.36Å; L971-A975 PolarHBondContact O-N 2.64Å; I973-A975 VanDerWaalsContact C-N 3.34Å; A975-L978 PolarHBondContact O-N 3.07Å; A975-I979 WeakPolarHBondContact O-CB 3.35Å; A975-I979 VanDerWaalsContact O-CD1 3.32Å; A975-I979 WeakPolarHBondContact O-CD1 3.32Å; A975-I979 WeakPolarHBondContact O-CG1 3.5Å; A975-I979 PolarHBondContact O-N 2.7Å
976S36.8Very low42.5Very low60 Ų60110.5 Ų110.542%0.4257%0.572SS.*Hα-helixtrans-72.7-27.6178.140.20000113.2F972 I973 E974F972-S976 WeakPolarHBondContact O-CB 3.46Å; F972-S976 PolarHBondContact O-N 3.49Å; F972-S976 PolarHBondContact O-OG 3.4Å; I973-S976 WeakPolarHBondContact CA-OG 3.35Å; I973-S976 PolarHBondContact O-N 2.76Å; I973-S976 PolarHBondContact O-OG 3.41Å; E974-S976 PolarHBondContact O-N 2.97Å
977I37.5Very low44.8Very low111 Ų111107.8 Ų107.857%0.56956%0.557SS**Hα-helixtrans-78.6-35170.9-63.9170.4000111.3I973 E974I973-I977 HydrophobicContact CG2-CD1 4.09Å; I973-I977 WeakPolarHBondContact O-CG1 3.41Å; I973-I977 PolarHBondContact O-N 3.05Å; I973-I977 VanDerWaalsContact O-N 3.11Å; E974-I977 PolarHBondContact O-N 3.13Å
978L36.5Very low46.5Very low133 Ų133102.8 Ų102.870%0.69653%0.531SS*.Hα-helixtrans-74.4-24.7178-99.8145.8000114E974 A975E974-L978 VanDerWaalsContact O-CB 3.28Å; E974-L978 WeakPolarHBondContact O-CB 3.49Å; E974-L978 PolarHBondContact O-N 3.26Å; A975-L978 PolarHBondContact O-N 3.07Å
979I37Very low48.3Very low139 Ų139101 Ų10171%0.71352%0.515SS*.Hα-helixtrans-84.1-22-178.4-68.3165.5000112.3A975 S981A975-I979 WeakPolarHBondContact O-CB 3.35Å; A975-I979 VanDerWaalsContact O-CD1 3.32Å; A975-I979 WeakPolarHBondContact O-CD1 3.32Å; A975-I979 WeakPolarHBondContact O-CG1 3.5Å; A975-I979 PolarHBondContact O-N 2.7Å; I979-S981 PolarHBondContact O-N 3.33Å; I979-S981 VanDerWaalsContact O-N 3.07Å
980N37.5Very low50.4Low104 Ų10496.9 Ų96.956%0.55649%0.494SS*.SBendtrans-86.876.7176.6-82.7-21.5000111.9
981S43.7Very low52.5Low70 Ų7093 Ų9349%0.4947%0.473SS..  trans56.9124.7165.169.10000116.2I979 R983I979-S981 PolarHBondContact O-N 3.33Å; I979-S981 VanDerWaalsContact O-N 3.07Å; S981-R983 PolarHBondContact O-N 2.97Å
982R44.3Very low54.6Low236 Ų23688 Ų8889%0.89145%0.448SS*.SBendtrans-63.120.5178.4-70.3175.9171.5171.7-2.8115.6
983R56.9Low56.8Low91 Ų9183.4 Ų83.434%0.34343%0.43SS..SBendtrans-103.9134.2-176.9-67.5-172.8179.9-179.50.2111.2S981S981-R983 PolarHBondContact O-N 2.97Å
984K67.1Low59.1Low172 Ų17281.3 Ų81.375%0.74842%0.419SS*.PPolyproline II helixtrans-58.9133.5173.7-170.1-178.2175.4-168.60109R944R944-K984 PolarHBondContact NH1-O 3.2Å
985P71.6Confident61.6Low85 Ų8575 Ų7555%0.55239%0.39SS*.PPolyproline II helixtrans-62.6137.3173.425.7-33.2000109.7
986L74.1Confident63.9Low15 Ų1574.7 Ų74.78%0.07938%0.384CS..PPolyproline II helixtrans-63.2139174.6-67.5170.1000109.2L937 M940 N941 D990 N998L937-L986 VanDerWaalsContact CD2-O 3.32Å; L937-L986 WeakPolarHBondContact CD2-O 3.44Å; M940-L986 HydrophobicContact CG-CD1 3.86Å; N941-L986 PolarHBondContact ND2-O 2.92Å; N941-L986 PolarHBondContact OD1-N 2.78Å; L986-D990 HydrophobicContact CB-CB 4.5Å; L986-D990 HydrophobicContact CD2-CB 3.86Å; L986-N998 HydrophobicContact CD2-CB 4.13Å
987C76.6Confident66.1Low57 Ų5777.5 Ų77.539%0.38539%0.391SS..PPolyproline II helixtrans-100166.8170.775.60000111.4L989 D990C987-L989 PolarHBondContact O-N 3.38Å; C987-L989 VanDerWaalsContact O-N 3.07Å; C987-D990 PolarHBondContact N-OD2 3.03Å; C987-D990 WeakPolarHBondContact O-CB 3.16Å; C987-D990 PolarHBondContact O-N 3.22Å; C987-D990 PolarHBondContact SG-OD1 3.47Å; C987-D990 PolarHBondContact SG-OD2 3.18Å
988S72.7Confident68.1Low17 Ų1773.5 Ų73.512%0.11937%0.37CS..THydrogen-bonded Turntrans-56.8-29.2-178.7-172.20000112.6C992S988-C992 PolarHBondContact O-SG 3.46Å
989L77.3Confident70.4Confident71 Ų7167.1 Ų67.137%0.37234%0.337SS..THydrogen-bonded Turntrans-74.3-34.1179.4-174.664.3000111.9C987 L991 C992 I993 Y1031C987-L989 PolarHBondContact O-N 3.38Å; C987-L989 VanDerWaalsContact O-N 3.07Å; L989-L991 VanDerWaalsContact C-N 3.31Å; L989-L991 PolarHBondContact O-N 3.03Å; L989-C992 PolarHBondContact O-N 2.91Å; L989-I993 HydrophobicContact CD1-CD1 4.27Å; L989-I993 HydrophobicContact CD1-CG1 4.27Å; L989-I993 HydrophobicContact CD2-CD1 4.13Å; L989-I993 HydrophobicContact CG-CD1 3.71Å; L989-I993 HydrophobicContact CG-CG1 4.17Å; L989-I993 WeakPolarHBondContact O-CG1 3.45Å; L989-I993 PolarHBondContact O-N 2.95Å; L989-Y1031 HydrophobicContact CD1-CD2 4.1Å; L989-Y1031 HydrophobicContact CD1-CE2 3.52Å
990D77.9Confident72.6Confident41 Ų4160.6 Ų60.622%0.21930%0.304CS..Hα-helixtrans-64.8-38.1-179.3-58.1-30.7000111L986 C987 C992 N998L986-D990 HydrophobicContact CB-CB 4.5Å; L986-D990 HydrophobicContact CD2-CB 3.86Å; C987-D990 PolarHBondContact N-OD2 3.03Å; C987-D990 WeakPolarHBondContact O-CB 3.16Å; C987-D990 PolarHBondContact O-N 3.22Å; C987-D990 PolarHBondContact SG-OD1 3.47Å; C987-D990 PolarHBondContact SG-OD2 3.18Å; D990-C992 PolarHBondContact O-N 3.4Å; D990-N998 PolarHBondContact O-ND2 2.7Å
991L78.7Confident74.6Confident9 Ų959.5 Ų59.55%0.04730%0.304CS..Hα-helixtrans-62.5-25.2172.8-78.2139.3000113.5L937 M940 L989 V999 I1020L937-L991 HydrophobicContact CD2-CD1 3.32Å; L937-L991 HydrophobicContact CG-CD1 3.79Å; M940-L991 HydrophobicContact CE-CD2 4.49Å; M940-L991 HydrophobicContact CG-CD2 4.42Å; L989-L991 VanDerWaalsContact C-N 3.31Å; L989-L991 PolarHBondContact O-N 3.03Å; L991-V999 HydrophobicContact CD2-CG2 3.62Å; L991-V999 HydrophobicContact CG-CG2 4.47Å; L991-I1020 HydrophobicContact CD2-CG2 4.25Å
992C81Confident76.3Confident14 Ų1457.8 Ų57.810%0.09529%0.288CS..Hα-helixtrans-92.2-33.5-177.5-570000112.6S988 L989 D990 A1027 S1028 Y1031S988-C992 PolarHBondContact O-SG 3.46Å; L989-C992 PolarHBondContact O-N 2.91Å; D990-C992 PolarHBondContact O-N 3.4Å; C992-A1027 HydrophobicContact CB-CB 4.45Å; C992-S1028 WeakPolarHBondContact O-CA 3.42Å; C992-S1028 WeakPolarHBondContact O-CB 3.41Å; C992-S1028 PolarHBondContact O-OG 2.88Å; C992-Y1031 HydrophobicContact CB-CG 4.37Å
993I81.7Confident78.2Confident60 Ų6046.8 Ų46.831%0.30825%0.248SC..Hα-helixtrans-70-55.2-172.4-70.4168.9000110.6L989 Y1031 W1032L989-I993 HydrophobicContact CD1-CD1 4.27Å; L989-I993 HydrophobicContact CD1-CG1 4.27Å; L989-I993 HydrophobicContact CD2-CD1 4.13Å; L989-I993 HydrophobicContact CG-CD1 3.71Å; L989-I993 HydrophobicContact CG-CG1 4.17Å; L989-I993 WeakPolarHBondContact O-CG1 3.45Å; L989-I993 PolarHBondContact O-N 2.95Å; I993-Y1031 HydrophobicContact CG1-CE1 4Å; I993-W1032 PolarHBondContact O-NE1 2.97Å
994D82.7Confident79.3Confident52 Ų5244.4 Ų44.428%0.27824%0.241SC..  trans-144.887-178.5-164.9-11.2000111.6V996 E997 N998D994-V996 PolarHBondContact O-N 3.43Å; D994-V996 WeakPolarHBondContact OD1-CB 3.22Å; D994-V996 PolarHBondContact OD1-N 2.82Å; D994-E997 HydrophobicContact CB-CB 4.33Å; D994-E997 PolarHBondContact O-N 3.39Å; D994-E997 PolarHBondContact OD1-N 3.42Å; D994-N998 WeakPolarHBondContact O-CB 3.44Å; D994-N998 PolarHBondContact O-N 2.79Å; D994-N998 PolarHBondContact O-ND2 3.3Å
995P86Confident80Confident0 Ų045.3 Ų45.30%024%0.24CC..Hα-helixtrans-58.3-23.5170.620.1-35.6000114.7V999 M1000 L1025 Q1188P995-V999 HydrophobicContact CB-CB 4.37Å; P995-V999 HydrophobicContact CB-CG2 4.3Å; P995-V999 CarbonylContact O-C 3.6Å; P995-V999 WeakPolarHBondContact O-CA 3.37Å; P995-V999 WeakPolarHBondContact O-CB 3.45Å; P995-V999 PolarHBondContact O-N 2.93Å; P995-M1000 PolarHBondContact O-N 3.02Å; P995-L1025 HydrophobicContact CG-CD2 3.95Å; P995-Q1188 HydrophobicContact CG-CG 4.32Å; P995-Q1188 VanDerWaalsContact CG-NE2 3.26Å
996V84.7Confident80.3Confident31 Ų3147 Ų4719%0.18824%0.239CC..Iπ-helixtrans-68.8-51.7178.1175.30000109.6D994 M1000 S1001 Q1188 T1191 I1192D994-V996 PolarHBondContact O-N 3.43Å; D994-V996 WeakPolarHBondContact OD1-CB 3.22Å; D994-V996 PolarHBondContact OD1-N 2.82Å; V996-M1000 WeakPolarHBondContact O-CB 3.48Å; V996-M1000 PolarHBondContact O-N 3.04Å; V996-S1001 PolarHBondContact O-N 2.93Å; V996-Q1188 HydrophobicContact CG2-CB 4.47Å; V996-Q1188 HydrophobicContact CG2-CG 3.75Å; V996-T1191 VanDerWaalsContact CG2-OG1 3.26Å; V996-T1191 WeakPolarHBondContact CG2-OG1 3.43Å; V996-I1192 HydrophobicContact CG2-CD1 3.92Å; V996-I1192 HydrophobicContact CG2-CG1 3.68Å
997E81.9Confident80.7Confident120 Ų12046.2 Ų46.256%0.56124%0.235SC*.Iπ-helixtrans-68.9-55.5178.7-170.4176.6-174.400110.7D994 S1001 E1002D994-E997 HydrophobicContact CB-CB 4.33Å; D994-E997 PolarHBondContact O-N 3.39Å; D994-E997 PolarHBondContact OD1-N 3.42Å; E997-S1001 WeakPolarHBondContact O-CB 3.49Å; E997-S1001 PolarHBondContact O-OG 2.83Å; E997-E1002 WeakPolarHBondContact O-CG 3.13Å
998N81.1Confident81Confident26 Ų2643.5 Ų43.514%0.13922%0.217CC..Iπ-helixtrans-82.5-22.8-167.6-63.3-38.1000114.4L986 D990 D994L986-N998 HydrophobicContact CD2-CB 4.13Å; D990-N998 PolarHBondContact O-ND2 2.7Å; D994-N998 WeakPolarHBondContact O-CB 3.44Å; D994-N998 PolarHBondContact O-N 2.79Å; D994-N998 PolarHBondContact O-ND2 3.3Å
999V84Confident81.5Confident0 Ų045.3 Ų45.30%022%0.221CC..Iπ-helixtrans-108.2-58.2-178.7177.50000110.3M940 L991 P995 V1003 F1017 L1021M940-V999 HydrophobicContact CE-CB 4.29Å; M940-V999 HydrophobicContact CE-CG1 3.42Å; M940-V999 VanDerWaalsContact CE-CG1 3.42Å; M940-V999 HydrophobicContact CE-CG2 4.19Å; M940-V999 HydrophobicContact SD-CG1 4.11Å; L991-V999 HydrophobicContact CD2-CG2 3.62Å; L991-V999 HydrophobicContact CG-CG2 4.47Å; P995-V999 HydrophobicContact CB-CB 4.37Å; P995-V999 HydrophobicContact CB-CG2 4.3Å; P995-V999 CarbonylContact O-C 3.6Å; P995-V999 WeakPolarHBondContact O-CA 3.37Å; P995-V999 WeakPolarHBondContact O-CB 3.45Å; P995-V999 PolarHBondContact O-N 2.93Å; V999-V1003 WeakPolarHBondContact O-CG2 3.33Å; V999-F1017 HydrophobicContact CG1-CE2 3.47Å; V999-F1017 VanDerWaalsContact CG1-CE2 3.47Å; V999-F1017 HydrophobicContact CG1-CZ 3.92Å; V999-L1021 HydrophobicContact CG1-CD1 4.02Å
1000M83.8Confident81.6Confident2 Ų242.7 Ų42.71%0.0121%0.208CC..Iπ-helixtrans-72.3-42.9-172.2-162.566.4-166.300113P995 V996 F1008 F1017 L1195 L1196 Y1199P995-M1000 PolarHBondContact O-N 3.02Å; V996-M1000 WeakPolarHBondContact O-CB 3.48Å; V996-M1000 PolarHBondContact O-N 3.04Å; M1000-F1008 HydrophobicContact CE-CE1 3.51Å; M1000-F1008 HydrophobicContact CE-CE2 4.41Å; M1000-F1008 HydrophobicContact CE-CZ 3.36Å; M1000-F1008 HydrophobicContact SD-CE1 4.33Å; M1000-F1008 HydrophobicContact SD-CZ 4.03Å; M1000-F1017 HydrophobicContact SD-CE1 3.89Å; M1000-F1017 HydrophobicContact SD-CZ 3.73Å; M1000-L1195 HydrophobicContact CB-CD1 4.4Å; M1000-L1195 HydrophobicContact CE-CB 3.9Å; M1000-L1195 HydrophobicContact CG-CB 4.29Å; M1000-L1195 HydrophobicContact CG-CD1 3.64Å; M1000-L1196 HydrophobicContact CE-CD2 3.85Å; M1000-L1196 HydrophobicContact CE-CG 4.21Å; M1000-L1196 HydrophobicContact SD-CD2 4.46Å; M1000-Y1199 HydrophobicContact CE-CD2 3.59Å; M1000-Y1199 HydrophobicContact CE-CE2 3.28Å
1001S79.1Confident81.7Confident81 Ų8141.6 Ų41.657%0.56620%0.203SC*.Iπ-helixtrans-76.7-27.1-173.290.80000114.2V996 E997V996-S1001 PolarHBondContact O-N 2.93Å; E997-S1001 WeakPolarHBondContact O-CB 3.49Å; E997-S1001 PolarHBondContact O-OG 2.83Å
1002E79.1Confident81.9Confident33 Ų3341.7 Ų41.715%0.15421%0.205CC..THydrogen-bonded Turntrans-90.4-14.8-172.8-61.1-163.413100114.2R944 S945 E997R944-E1002 VanDerWaalsContact CA-O 3.31Å; R944-E1002 WeakPolarHBondContact CA-O 3.43Å; R944-E1002 HydrophobicContact CG-CB 4.13Å; R944-E1002 IonicContact CZ-OE1 3.35Å; R944-E1002 IonicContact CZ-OE2 2.65Å; R944-E1002 IonicContact NE-OE1 3.47Å; R944-E1002 IonicContact NE-OE2 2.92Å; R944-E1002 PolarHBondContact NE-OE2 2.93Å; R944-E1002 IonicContact NH2-OE1 2.87Å; R944-E1002 PolarHBondContact NH2-OE1 3.32Å; R944-E1002 IonicContact NH2-OE2 3.29Å; R944-E1002 PolarHBondContact NH2-OE2 3Å; S945-E1002 PolarHBondContact N-O 2.76Å; E997-E1002 WeakPolarHBondContact O-CG 3.13Å
1003V83.9Confident82Confident6 Ų641 Ų414%0.03620%0.2CC..BIsolated β-bridgetrans-71141.2-174.5162.40000112.5M940 I943 V999 R1005 V1007 F1008 F1017M940-V1003 HydrophobicContact SD-CG2 3.79Å; I943-V1003 HydrophobicContact CG2-CB 4.45Å; I943-V1003 HydrophobicContact CG2-CG1 3.85Å; I943-V1003 HydrophobicContact CG2-CG2 4.17Å; V999-V1003 WeakPolarHBondContact O-CG2 3.33Å; V1003-R1005 PolarHBondContact O-N 2.93Å; V1003-V1007 HydrophobicContact CG1-CB 3.94Å; V1003-V1007 HydrophobicContact CG1-CG1 4.26Å; V1003-V1007 HydrophobicContact CG1-CG2 3.81Å; V1003-F1008 HydrophobicContact CG1-CE2 3.97Å; V1003-F1008 HydrophobicContact CG1-CZ 4.18Å; V1003-F1017 HydrophobicContact CB-CE2 4.36Å; V1003-F1017 HydrophobicContact CG1-CD2 4.43Å; V1003-F1017 HydrophobicContact CG1-CE2 4.33Å; V1003-F1017 HydrophobicContact CG2-CD2 4.04Å; V1003-F1017 HydrophobicContact CG2-CE2 3.56Å; V1003-F1017 HydrophobicContact CG2-CZ 4.33Å
1004D81.5Confident82.3Confident40 Ų4038.2 Ų38.221%0.21419%0.186CC..  trans-60.7128.3173.9-170.4-14.3000111.3L902 I943 K1006 V1007L902-D1004 HydrophobicContact CD2-CB 4.44Å; I943-D1004 VanDerWaalsContact O-CB 3.31Å; I943-D1004 WeakPolarHBondContact O-CB 3.37Å; I943-D1004 PolarHBondContact O-N 3.28Å; D1004-K1006 PolarHBondContact O-N 3.01Å; D1004-K1006 PolarHBondContact OD1-N 2.98Å; D1004-V1007 HydrophobicContact CB-CG2 4.3Å; D1004-V1007 VanDerWaalsContact O-CB 3.23Å; D1004-V1007 WeakPolarHBondContact O-CB 3.38Å; D1004-V1007 WeakPolarHBondContact O-CG2 3.28Å; D1004-V1007 PolarHBondContact O-N 3.48Å
1005R80.4Confident82.5Confident192 Ų19238.9 Ų38.973%0.72518%0.184SC*.G310 helixtrans-57.9-24.8179.1-63.5-172.9-178.4-154.2-0.4112.6V1003 V1007 F1008V1003-R1005 PolarHBondContact O-N 2.93Å; R1005-V1007 PolarHBondContact O-N 3.24Å; R1005-F1008 PolarHBondContact O-N 2.93Å
1006K78.4Confident82.5Confident119 Ų11939.1 Ų39.152%0.51719%0.186SC..G310 helixtrans-62.2-25175.1-67.9179.8180179.10113.3L902 D1004 F1008 R1009 C1010L902-K1006 HydrophobicContact CD2-CB 4.06Å; D1004-K1006 PolarHBondContact O-N 3.01Å; D1004-K1006 PolarHBondContact OD1-N 2.98Å; K1006-F1008 VanDerWaalsContact C-N 3.29Å; K1006-F1008 PolarHBondContact O-N 2.75Å; K1006-R1009 PolarHBondContact O-N 3.26Å; K1006-C1010 PolarHBondContact O-N 2.62Å
1007V83.4Confident82.7Confident0 Ų037.7 Ų37.70%018%0.177CC..G310 helixtrans-60.3-41.4178.51760000111.4L902 I943 V1003 D1004 R1005 R1009 C1010 L1013 F1017L902-V1007 HydrophobicContact CD2-CG2 3.78Å; I943-V1007 HydrophobicContact CG2-CB 4.48Å; I943-V1007 HydrophobicContact CG2-CG2 3.28Å; V1003-V1007 HydrophobicContact CG1-CB 3.94Å; V1003-V1007 HydrophobicContact CG1-CG1 4.26Å; V1003-V1007 HydrophobicContact CG1-CG2 3.81Å; D1004-V1007 HydrophobicContact CB-CG2 4.3Å; D1004-V1007 VanDerWaalsContact O-CB 3.23Å; D1004-V1007 WeakPolarHBondContact O-CB 3.38Å; D1004-V1007 WeakPolarHBondContact O-CG2 3.28Å; D1004-V1007 PolarHBondContact O-N 3.48Å; R1005-V1007 PolarHBondContact O-N 3.24Å; V1007-R1009 PolarHBondContact O-N 3.41Å; V1007-R1009 VanDerWaalsContact O-N 3.08Å; V1007-C1010 PolarHBondContact O-N 3.44Å; V1007-C1010 VanDerWaalsContact O-N 3.09Å; V1007-L1013 HydrophobicContact CB-CD2 4.22Å; V1007-L1013 HydrophobicContact CB-CG 4.5Å; V1007-L1013 HydrophobicContact CG1-CB 4.34Å; V1007-L1013 HydrophobicContact CG1-CD2 4.18Å; V1007-L1013 HydrophobicContact CG1-CG 3.91Å; V1007-L1013 HydrophobicContact CG2-CD2 3.67Å; V1007-L1013 HydrophobicContact CG2-CG 4.27Å; V1007-F1017 HydrophobicContact CG1-CB 3.97Å; V1007-F1017 HydrophobicContact CG1-CG 4.32Å
1008F83Confident83Confident0 Ų032.3 Ų32.30%015%0.152CC..G310 helixtrans-68.2-6.6178.8-57.9-76.6000113.2M1000 V1003 R1005 K1006 L1014 F1017 L1196 Y1199 I1219M1000-F1008 HydrophobicContact CE-CE1 3.51Å; M1000-F1008 HydrophobicContact CE-CE2 4.41Å; M1000-F1008 HydrophobicContact CE-CZ 3.36Å; M1000-F1008 HydrophobicContact SD-CE1 4.33Å; M1000-F1008 HydrophobicContact SD-CZ 4.03Å; V1003-F1008 HydrophobicContact CG1-CE2 3.97Å; V1003-F1008 HydrophobicContact CG1-CZ 4.18Å; R1005-F1008 PolarHBondContact O-N 2.93Å; K1006-F1008 VanDerWaalsContact C-N 3.29Å; K1006-F1008 PolarHBondContact O-N 2.75Å; F1008-L1014 HydrophobicContact CD1-CD1 3.9Å; F1008-L1014 HydrophobicContact CE1-CD1 4.41Å; F1008-F1017 HydrophobicContact CE1-CD1 4.18Å; F1008-F1017 AromaticContact CE1-CE1 3.82Å; F1008-F1017 HydrophobicContact CE1-CE1 3.82Å; F1008-F1017 HydrophobicContact CZ-CE1 4.02Å; F1008-F1017 HydrophobicContact CZ-CZ 4.41Å; F1008-L1196 HydrophobicContact CE1-CD2 4.16Å; F1008-Y1199 HydrophobicContact CB-CD1 3.94Å; F1008-Y1199 HydrophobicContact CB-CG 4.17Å; F1008-Y1199 HydrophobicContact CD1-CD1 4.28Å; F1008-Y1199 AromaticContact CD1-CD2 3.93Å; F1008-Y1199 HydrophobicContact CD1-CD2 3.93Å; F1008-Y1199 HydrophobicContact CD1-CE2 4.48Å; F1008-Y1199 AromaticContact CD1-CG 3.86Å; F1008-Y1199 HydrophobicContact CD1-CG 3.86Å; F1008-Y1199 AromaticContact CD2-CD1 3.73Å; F1008-Y1199 HydrophobicContact CD2-CD1 3.73Å; F1008-Y1199 HydrophobicContact CD2-CD2 4.33Å; F1008-Y1199 AromaticContact CD2-CE1 3.57Å; F1008-Y1199 HydrophobicContact CD2-CE1 3.57Å; F1008-Y1199 HydrophobicContact CD2-CE2 4.26Å; F1008-Y1199 HydrophobicContact CD2-CG 4.12Å; F1008-Y1199 AromaticContact CD2-CZ 3.86Å; F1008-Y1199 AromaticContact CE1-CD2 3.91Å; F1008-Y1199 HydrophobicContact CE1-CD2 3.91Å; F1008-Y1199 HydrophobicContact CE1-CE2 4.16Å; F1008-Y1199 HydrophobicContact CE1-CG 4.31Å; F1008-Y1199 HydrophobicContact CE2-CD1 4.34Å; F1008-Y1199 HydrophobicContact CE2-CD2 4.3Å; F1008-Y1199 AromaticContact CE2-CE1 3.87Å; F1008-Y1199 HydrophobicContact CE2-CE1 3.87Å; F1008-Y1199 AromaticContact CE2-CE2 3.92Å; F1008-Y1199 HydrophobicContact CE2-CE2 3.92Å; F1008-Y1199 AromaticContact CE2-CZ 3.65Å; F1008-Y1199 AromaticContact CG-CD1 3.7Å; F1008-Y1199 HydrophobicContact CG-CD1 3.7Å; F1008-Y1199 HydrophobicContact CG-CD2 4.16Å; F1008-Y1199 HydrophobicContact CG-CE1 4.05Å; F1008-Y1199 AromaticContact CG-CG 3.77Å; F1008-Y1199 HydrophobicContact CG-CG 3.77Å; F1008-Y1199 HydrophobicContact CZ-CD2 4.1Å; F1008-Y1199 AromaticContact CZ-CE2 3.87Å; F1008-Y1199 HydrophobicContact CZ-CE2 3.87Å; F1008-I1219 WeakPolarHBondContact O-CD1 3.35Å
1009R82.1Confident83.3Confident54 Ų5433.2 Ų33.220%0.20415%0.153CC..G310 helixtrans-107.7-3.8175.7-58.4-64.9164.6174.5-8.6113.7K1006 V1007 Y1199 L1201 E1206K1006-R1009 PolarHBondContact O-N 3.26Å; V1007-R1009 PolarHBondContact O-N 3.41Å; V1007-R1009 VanDerWaalsContact O-N 3.08Å; R1009-Y1199 PolarHBondContact NH2-O 3.29Å; R1009-L1201 PolarHBondContact NH2-O 3.42Å; R1009-E1206 IonicContact CZ-OE1 3.07Å; R1009-E1206 IonicContact CZ-OE2 2.78Å; R1009-E1206 IonicContact NE-OE1 3.16Å; R1009-E1206 IonicContact NH1-OE1 2.7Å; R1009-E1206 PolarHBondContact NH1-OE1 3.46Å; R1009-E1206 IonicContact NH1-OE2 3.84Å; R1009-E1206 PolarHBondContact NH1-OE2 3.26Å
1010C79.6Confident83.4Confident17 Ų1733.2 Ų33.212%0.11515%0.153CC..  trans-111.2105175.2-1760000109.9K1006 V1007 S1012 L1013 L1014K1006-C1010 PolarHBondContact O-N 2.62Å; V1007-C1010 PolarHBondContact O-N 3.44Å; V1007-C1010 VanDerWaalsContact O-N 3.09Å; C1010-S1012 VanDerWaalsContact C-N 3.34Å; C1010-S1012 PolarHBondContact O-N 3.33Å; C1010-L1013 HydrophobicContact CB-CB 3.95Å; C1010-L1013 PolarHBondContact O-N 3.13Å; C1010-L1013 VanDerWaalsContact O-N 3.12Å; C1010-L1014 WeakPolarHBondContact O-CB 3.29Å; C1010-L1014 PolarHBondContact O-N 2.99Å
1011P80.7Confident83.7Confident17 Ų1733.1 Ų33.111%0.1115%0.153CC..Hα-helixtrans-54.2-42.7-173.7-28.133.4000114.8L1014 R1015 I1215 E1218 I1219P1011-L1014 WeakPolarHBondContact O-CB 3.39Å; P1011-L1014 PolarHBondContact O-N 3.44Å; P1011-R1015 WeakPolarHBondContact O-CG 3.23Å; P1011-R1015 PolarHBondContact O-N 3.07Å; P1011-I1215 HydrophobicContact CG-CG2 3.83Å; P1011-E1218 HydrophobicContact CB-CG 3.99Å; P1011-E1218 WeakPolarHBondContact CB-OE1 3.47Å; P1011-E1218 HydrophobicContact CG-CB 4.41Å; P1011-E1218 HydrophobicContact CG-CG 4.17Å; P1011-I1219 HydrophobicContact CG-CG1 4.21Å
1012S81.8Confident84.1Confident12 Ų1231.3 Ų31.38%0.08414%0.136CC..Hα-helixtrans-70-38.2179.7-71.10000112.7V917 E921 C1010 L1014 R1015 L1016V917-S1012 VanDerWaalsContact CG1-CB 3.48Å; V917-S1012 WeakPolarHBondContact CG1-OG 3.35Å; E921-S1012 PolarHBondContact OE2-OG 2.86Å; C1010-S1012 VanDerWaalsContact C-N 3.34Å; C1010-S1012 PolarHBondContact O-N 3.33Å; S1012-L1014 VanDerWaalsContact C-N 3.34Å; S1012-R1015 PolarHBondContact O-N 3.49Å; S1012-L1016 VanDerWaalsContact O-CG 3.24Å; S1012-L1016 WeakPolarHBondContact O-CG 3.33Å; S1012-L1016 PolarHBondContact O-N 3.07Å
1013L83.5Confident84.4Confident0 Ų029.8 Ų29.80%013%0.129CC..Hα-helixtrans-70.3-35.3175.7-163.360.8000111.6P898 L901 L902 I943 V1007 C1010 L1016 F1017P898-L1013 HydrophobicContact CB-CD1 3.92Å; P898-L1013 HydrophobicContact CG-CD1 4.39Å; L901-L1013 HydrophobicContact CD1-CD1 4.42Å; L902-L1013 HydrophobicContact CD1-CD2 4.34Å; L902-L1013 HydrophobicContact CD2-CD2 3.5Å; L902-L1013 VanDerWaalsContact CD2-CD2 3.5Å; L902-L1013 HydrophobicContact CG-CD2 3.58Å; I943-L1013 HydrophobicContact CD1-CD1 3.66Å; I943-L1013 HydrophobicContact CD1-CG 4.16Å; I943-L1013 HydrophobicContact CG1-CD1 4.26Å; V1007-L1013 HydrophobicContact CB-CD2 4.22Å; V1007-L1013 HydrophobicContact CB-CG 4.5Å; V1007-L1013 HydrophobicContact CG1-CB 4.34Å; V1007-L1013 HydrophobicContact CG1-CD2 4.18Å; V1007-L1013 HydrophobicContact CG1-CG 3.91Å; V1007-L1013 HydrophobicContact CG2-CD2 3.67Å; V1007-L1013 HydrophobicContact CG2-CG 4.27Å; C1010-L1013 HydrophobicContact CB-CB 3.95Å; C1010-L1013 PolarHBondContact O-N 3.13Å; C1010-L1013 VanDerWaalsContact O-N 3.12Å; L1013-L1016 HydrophobicContact CD1-CD1 4.19Å; L1013-L1016 PolarHBondContact O-N 3.19Å; L1013-F1017 WeakPolarHBondContact O-CB 3.45Å; L1013-F1017 PolarHBondContact O-N 3.34Å
1014L87Confident84.6Confident0 Ų029.7 Ų29.70%013%0.128CC..Hα-helixtrans-61.1-43.8172.417862.9000111.8F1008 C1010 P1011 S1012 L1016 F1017 L1018 I1219 T1222 I1223F1008-L1014 HydrophobicContact CD1-CD1 3.9Å; F1008-L1014 HydrophobicContact CE1-CD1 4.41Å; C1010-L1014 WeakPolarHBondContact O-CB 3.29Å; C1010-L1014 PolarHBondContact O-N 2.99Å; P1011-L1014 WeakPolarHBondContact O-CB 3.39Å; P1011-L1014 PolarHBondContact O-N 3.44Å; S1012-L1014 VanDerWaalsContact C-N 3.34Å; L1014-L1016 PolarHBondContact O-N 2.88Å; L1014-F1017 HydrophobicContact CD1-CD1 4.43Å; L1014-F1017 PolarHBondContact O-N 2.95Å; L1014-L1018 HydrophobicContact CD1-CD1 4.15Å; L1014-L1018 HydrophobicContact CD1-CD2 4.43Å; L1014-L1018 HydrophobicContact CD1-CG 4.02Å; L1014-L1018 HydrophobicContact CG-CD1 4.06Å; L1014-L1018 HydrophobicContact CG-CG 4.35Å; L1014-L1018 WeakPolarHBondContact O-CB 3.32Å; L1014-L1018 VanDerWaalsContact O-CG 3.26Å; L1014-L1018 WeakPolarHBondContact O-CG 3.19Å; L1014-L1018 PolarHBondContact O-N 3.38Å; L1014-I1219 HydrophobicContact CD2-CB 4.31Å; L1014-I1219 HydrophobicContact CD2-CG1 4.28Å; L1014-I1219 HydrophobicContact CD2-CG2 3.84Å; L1014-T1222 HydrophobicContact CD2-CG2 4.42Å; L1014-I1223 HydrophobicContact CD1-CG1 4.42Å; L1014-I1223 HydrophobicContact CD2-CD1 4.16Å; L1014-I1223 HydrophobicContact CD2-CG1 3.93Å
1015R86.9Confident84.9Confident66 Ų6628.1 Ų28.125%0.24912%0.12CC..Hα-helixtrans-61.1-43.8175.3-72.7176.6-168.3113.49.6112.4E921 P1011 S1012 R1019 E1218 T1222E921-R1015 WeakPolarHBondContact OE1-CD 3.49Å; E921-R1015 IonicContact OE2-NH1 2.76Å; P1011-R1015 WeakPolarHBondContact O-CG 3.23Å; P1011-R1015 PolarHBondContact O-N 3.07Å; S1012-R1015 PolarHBondContact O-N 3.49Å; R1015-R1019 WeakPolarHBondContact O-CB 3.49Å; R1015-R1019 PolarHBondContact O-N 3.47Å; R1015-E1218 IonicContact CZ-OE1 3.64Å; R1015-E1218 IonicContact NH1-OE1 3.58Å; R1015-E1218 PolarHBondContact NH1-OE1 3.07Å; R1015-E1218 IonicContact NH2-OE1 2.72Å; R1015-E1218 PolarHBondContact NH2-OE1 2.98Å; R1015-T1222 HydrophobicContact CG-CG2 3.73Å
1016L86.3Confident85.2Confident6 Ų621.2 Ų21.23%0.03110%0.097CC..Hα-helixtrans-61.2-46.8175.2-63.8166.2000110.3E921 W924 S1012 L1013 L1014 R1019 I1020E921-L1016 HydrophobicContact CG-CD2 4.46Å; W924-L1016 HydrophobicContact CB-CD2 3.83Å; W924-L1016 HydrophobicContact CD2-CD2 3.24Å; W924-L1016 HydrophobicContact CE3-CD2 3.16Å; W924-L1016 HydrophobicContact CG-CD2 3.54Å; W924-L1016 HydrophobicContact CH2-CD2 4.4Å; W924-L1016 HydrophobicContact CZ2-CD2 4.46Å; W924-L1016 HydrophobicContact CZ3-CD2 3.79Å; S1012-L1016 VanDerWaalsContact O-CG 3.24Å; S1012-L1016 WeakPolarHBondContact O-CG 3.33Å; S1012-L1016 PolarHBondContact O-N 3.07Å; L1013-L1016 HydrophobicContact CD1-CD1 4.19Å; L1013-L1016 PolarHBondContact O-N 3.19Å; L1014-L1016 PolarHBondContact O-N 2.88Å; L1016-R1019 WeakPolarHBondContact O-CB 3.2Å; L1016-R1019 PolarHBondContact O-N 2.76Å; L1016-I1020 VanDerWaalsContact O-CG1 3.32Å; L1016-I1020 WeakPolarHBondContact O-CG1 3.33Å; L1016-I1020 PolarHBondContact O-N 3.3Å; L1016-I1020 VanDerWaalsContact O-N 3.12Å
1017F89.1Confident85.6Confident0 Ų015.7 Ų15.70%07%0.074CC..Hα-helixtrans-60.9-48.7177.6172-104.9000112.7M940 V999 M1000 V1003 V1007 F1008 L1013 L1014 R1019 I1020 L1021M940-F1017 HydrophobicContact CE-CD2 4.15Å; M940-F1017 HydrophobicContact CE-CE2 4.1Å; V999-F1017 HydrophobicContact CG1-CE2 3.47Å; V999-F1017 VanDerWaalsContact CG1-CE2 3.47Å; V999-F1017 HydrophobicContact CG1-CZ 3.92Å; M1000-F1017 HydrophobicContact SD-CE1 3.89Å; M1000-F1017 HydrophobicContact SD-CZ 3.73Å; V1003-F1017 HydrophobicContact CB-CE2 4.36Å; V1003-F1017 HydrophobicContact CG1-CD2 4.43Å; V1003-F1017 HydrophobicContact CG1-CE2 4.33Å; V1003-F1017 HydrophobicContact CG2-CD2 4.04Å; V1003-F1017 HydrophobicContact CG2-CE2 3.56Å; V1003-F1017 HydrophobicContact CG2-CZ 4.33Å; V1007-F1017 HydrophobicContact CG1-CB 3.97Å; V1007-F1017 HydrophobicContact CG1-CG 4.32Å; F1008-F1017 HydrophobicContact CE1-CD1 4.18Å; F1008-F1017 AromaticContact CE1-CE1 3.82Å; F1008-F1017 HydrophobicContact CE1-CE1 3.82Å; F1008-F1017 HydrophobicContact CZ-CE1 4.02Å; F1008-F1017 HydrophobicContact CZ-CZ 4.41Å; L1013-F1017 WeakPolarHBondContact O-CB 3.45Å; L1013-F1017 PolarHBondContact O-N 3.34Å; L1014-F1017 HydrophobicContact CD1-CD1 4.43Å; L1014-F1017 PolarHBondContact O-N 2.95Å; F1017-R1019 PolarHBondContact O-N 3.41Å; F1017-I1020 PolarHBondContact O-N 3.48Å; F1017-L1021 HydrophobicContact CE1-CD2 4.14Å; F1017-L1021 HydrophobicContact CZ-CD2 4.41Å; F1017-L1021 WeakPolarHBondContact O-CB 3.3Å; F1017-L1021 PolarHBondContact O-N 2.97Å
1018L89.6Confident85.8Confident7 Ų715.7 Ų15.74%0.0377%0.074CC..Hα-helixtrans-60.7-34.3178.3-69.7175.3000111.5L1014 L1021 E1022 L1196 T1222 F1226L1014-L1018 HydrophobicContact CD1-CD1 4.15Å; L1014-L1018 HydrophobicContact CD1-CD2 4.43Å; L1014-L1018 HydrophobicContact CD1-CG 4.02Å; L1014-L1018 HydrophobicContact CG-CD1 4.06Å; L1014-L1018 HydrophobicContact CG-CG 4.35Å; L1014-L1018 WeakPolarHBondContact O-CB 3.32Å; L1014-L1018 VanDerWaalsContact O-CG 3.26Å; L1014-L1018 WeakPolarHBondContact O-CG 3.19Å; L1014-L1018 PolarHBondContact O-N 3.38Å; L1018-L1021 HydrophobicContact CD2-CD2 4.15Å; L1018-L1021 PolarHBondContact O-N 3.14Å; L1018-E1022 WeakPolarHBondContact O-CB 3.38Å; L1018-E1022 PolarHBondContact O-N 3.5Å; L1018-L1196 HydrophobicContact CD2-CD1 4.15Å; L1018-L1196 HydrophobicContact CD2-CD2 3.96Å; L1018-T1222 HydrophobicContact CD1-CG2 3.85Å; L1018-F1226 HydrophobicContact CB-CD2 4.36Å; L1018-F1226 HydrophobicContact CD1-CB 4.09Å; L1018-F1226 HydrophobicContact CD1-CG 4.3Å; L1018-F1226 HydrophobicContact CD2-CD1 3.8Å; L1018-F1226 HydrophobicContact CD2-CE1 4.05Å; L1018-F1226 HydrophobicContact CD2-CG 4.12Å
1019R86.3Confident86Confident45 Ų4518.8 Ų18.817%0.179%0.085CC..Hα-helixtrans-63.7-44173.2-175.359.3169.9-167.26.7112.4M762 G763 M766 W924 R1015 L1016 F1017 L1021 S1023M762-R1019 VanDerWaalsContact C-NH2 3.28Å; M762-R1019 VanDerWaalsContact CE-NH1 3.3Å; M762-R1019 PolarHBondContact O-NH2 3.26Å; M762-R1019 VanDerWaalsContact O-NH2 3.09Å; M762-R1019 VanDerWaalsContact SD-CZ 3.55Å; G763-R1019 VanDerWaalsContact CA-NH2 3.27Å; M766-R1019 PolarHBondContact SD-NH1 2.94Å; W924-R1019 HydrophobicContact CH2-CG 4.37Å; W924-R1019 HydrophobicContact CZ3-CB 4.46Å; W924-R1019 HydrophobicContact CZ3-CG 4.11Å; R1015-R1019 WeakPolarHBondContact O-CB 3.49Å; R1015-R1019 PolarHBondContact O-N 3.47Å; L1016-R1019 WeakPolarHBondContact O-CB 3.2Å; L1016-R1019 PolarHBondContact O-N 2.76Å; F1017-R1019 PolarHBondContact O-N 3.41Å; R1019-L1021 VanDerWaalsContact C-N 3.33Å; R1019-S1023 PolarHBondContact O-N 2.89Å; R1019-S1023 VanDerWaalsContact O-N 3.15Å; R1019-S1023 PolarHBondContact O-OG 3.36Å
1020I87.3Confident86.1Confident0 Ų016.9 Ų16.90%08%0.08CC..Hα-helixtrans-66.4-38.5175.5-55.6166000110.4W924 E936 T939 M940 L991 L1016 F1017 S1023 S1024W924-I1020 HydrophobicContact CH2-CD1 4.47Å; W924-I1020 HydrophobicContact CH2-CG1 3.95Å; W924-I1020 HydrophobicContact CZ2-CD1 4.08Å; W924-I1020 HydrophobicContact CZ2-CG1 4.01Å; E936-I1020 HydrophobicContact CB-CG1 4.44Å; E936-I1020 HydrophobicContact CB-CG2 4Å; E936-I1020 HydrophobicContact CG-CB 4.4Å; E936-I1020 HydrophobicContact CG-CG1 4.01Å; E936-I1020 HydrophobicContact CG-CG2 4.02Å; T939-I1020 HydrophobicContact CG2-CD1 3.68Å; M940-I1020 HydrophobicContact CE-CB 4.08Å; M940-I1020 HydrophobicContact CE-CD1 4.23Å; M940-I1020 HydrophobicContact CE-CG2 3.44Å; M940-I1020 VanDerWaalsContact CE-CG2 3.44Å; L991-I1020 HydrophobicContact CD2-CG2 4.25Å; L1016-I1020 VanDerWaalsContact O-CG1 3.32Å; L1016-I1020 WeakPolarHBondContact O-CG1 3.33Å; L1016-I1020 PolarHBondContact O-N 3.3Å; L1016-I1020 VanDerWaalsContact O-N 3.12Å; F1017-I1020 PolarHBondContact O-N 3.48Å; I1020-S1023 PolarHBondContact O-N 3.32Å; I1020-S1023 PolarHBondContact O-OG 2.92Å; I1020-S1024 VanDerWaalsContact O-CB 3.29Å; I1020-S1024 WeakPolarHBondContact O-CB 3.48Å; I1020-S1024 PolarHBondContact O-N 2.83Å; I1020-S1024 PolarHBondContact O-OG 3.41Å
1021L88.7Confident86.4Confident0 Ų018.3 Ų18.30%08%0.084CC..Hα-helixtrans-63.6-47.6178.4-177.963.5000110.9V999 F1017 L1018 R1019 S1023 S1024 L1025 I1192 L1196 F1226V999-L1021 HydrophobicContact CG1-CD1 4.02Å; F1017-L1021 HydrophobicContact CE1-CD2 4.14Å; F1017-L1021 HydrophobicContact CZ-CD2 4.41Å; F1017-L1021 WeakPolarHBondContact O-CB 3.3Å; F1017-L1021 PolarHBondContact O-N 2.97Å; L1018-L1021 HydrophobicContact CD2-CD2 4.15Å; L1018-L1021 PolarHBondContact O-N 3.14Å; R1019-L1021 VanDerWaalsContact C-N 3.33Å; L1021-S1023 PolarHBondContact O-N 3.01Å; L1021-S1024 WeakPolarHBondContact CA-OG 3.49Å; L1021-S1024 PolarHBondContact O-N 2.82Å; L1021-S1024 PolarHBondContact O-OG 3.07Å; L1021-L1025 HydrophobicContact CG-CD1 4.4Å; L1021-L1025 WeakPolarHBondContact O-CG 3.39Å; L1021-L1025 PolarHBondContact O-N 3.36Å; L1021-I1192 HydrophobicContact CD1-CD1 4.16Å; L1021-I1192 HydrophobicContact CD1-CG2 4.42Å; L1021-I1192 HydrophobicContact CD2-CG2 3.75Å; L1021-I1192 HydrophobicContact CG-CG2 4.44Å; L1021-L1196 HydrophobicContact CD2-CD1 4.22Å; L1021-F1226 HydrophobicContact CD2-CE1 4.09Å; L1021-F1226 HydrophobicContact CD2-CZ 4.37Å
1022E88.1Confident86.5Confident44 Ų4420.3 Ų20.321%0.2069%0.089CC..Hα-helixtrans-62.3-42.3178.5-157.8-176.8157.400112.1M762 L1018 S1024 L1025 L1026 F1226M762-E1022 HydrophobicContact CE-CB 3.4Å; M762-E1022 VanDerWaalsContact CE-CB 3.4Å; M762-E1022 HydrophobicContact CE-CG 3.3Å; M762-E1022 WeakPolarHBondContact CE-OE1 3.41Å; M762-E1022 WeakPolarHBondContact CE-OE2 3.44Å; M762-E1022 HydrophobicContact SD-CB 4.41Å; L1018-E1022 WeakPolarHBondContact O-CB 3.38Å; L1018-E1022 PolarHBondContact O-N 3.5Å; E1022-S1024 VanDerWaalsContact C-N 3.34Å; E1022-S1024 PolarHBondContact O-N 3.37Å; E1022-L1025 PolarHBondContact O-N 3.43Å; E1022-L1026 WeakPolarHBondContact O-CG 3.45Å; E1022-L1026 PolarHBondContact O-N 3.13Å; E1022-F1226 HydrophobicContact CB-CE2 3.74Å; E1022-F1226 HydrophobicContact CB-CZ 4.1Å; E1022-F1226 HydrophobicContact CG-CE2 3.81Å; E1022-F1226 HydrophobicContact CG-CZ 4.31Å
1023S85.9Confident86.5Confident1 Ų122 Ų221%0.00710%0.104CC..Hα-helixtrans-65.2-38.4174.871.40000111.7H759 E936 R1019 I1020 L1021 L1026 A1027H759-S1023 WeakPolarHBondContact CB-O 3.48Å; E936-S1023 VanDerWaalsContact OE1-CB 3.27Å; E936-S1023 WeakPolarHBondContact OE1-CB 3.38Å; E936-S1023 PolarHBondContact OE1-OG 3.48Å; E936-S1023 PolarHBondContact OE2-OG 2.96Å; R1019-S1023 PolarHBondContact O-N 2.89Å; R1019-S1023 VanDerWaalsContact O-N 3.15Å; R1019-S1023 PolarHBondContact O-OG 3.36Å; I1020-S1023 PolarHBondContact O-N 3.32Å; I1020-S1023 PolarHBondContact O-OG 2.92Å; L1021-S1023 PolarHBondContact O-N 3.01Å; S1023-L1026 PolarHBondContact O-N 3.15Å; S1023-A1027 VanDerWaalsContact O-CB 3.29Å; S1023-A1027 WeakPolarHBondContact O-CB 3.41Å; S1023-A1027 PolarHBondContact O-N 2.96Å
1024S86.8Confident86.3Confident4 Ų423.3 Ų23.33%0.02811%0.11CC..Hα-helixtrans-65.8-37.6175.675.90000113I1020 L1021 E1022 A1027 S1028I1020-S1024 VanDerWaalsContact O-CB 3.29Å; I1020-S1024 WeakPolarHBondContact O-CB 3.48Å; I1020-S1024 PolarHBondContact O-N 2.83Å; I1020-S1024 PolarHBondContact O-OG 3.41Å; L1021-S1024 WeakPolarHBondContact CA-OG 3.49Å; L1021-S1024 PolarHBondContact O-N 2.82Å; L1021-S1024 PolarHBondContact O-OG 3.07Å; E1022-S1024 VanDerWaalsContact C-N 3.34Å; E1022-S1024 PolarHBondContact O-N 3.37Å; S1024-A1027 PolarHBondContact O-N 3.12Å; S1024-S1028 WeakPolarHBondContact O-CB 3.35Å; S1024-S1028 PolarHBondContact O-N 3.38Å
1025L88.6Confident85.9Confident6 Ų630 Ų303%0.03114%0.135CC..Hα-helixtrans-66-45.4175.6-73.8175.6000111.4P995 L1021 E1022 A1027 S1028 R1029 Q1188 D1189 I1192P995-L1025 HydrophobicContact CG-CD2 3.95Å; L1021-L1025 HydrophobicContact CG-CD1 4.4Å; L1021-L1025 WeakPolarHBondContact O-CG 3.39Å; L1021-L1025 PolarHBondContact O-N 3.36Å; E1022-L1025 PolarHBondContact O-N 3.43Å; L1025-A1027 VanDerWaalsContact C-N 3.31Å; L1025-A1027 PolarHBondContact O-N 2.9Å; L1025-S1028 PolarHBondContact O-N 3.2Å; L1025-R1029 VanDerWaalsContact O-CG 3.32Å; L1025-R1029 WeakPolarHBondContact O-CG 3.34Å; L1025-R1029 PolarHBondContact O-N 3.13Å; L1025-Q1188 HydrophobicContact CD2-CG 4.43Å; L1025-D1189 WeakPolarHBondContact CD2-OD1 3.25Å; L1025-I1192 HydrophobicContact CD1-CD1 4.29Å; L1025-I1192 HydrophobicContact CD2-CD1 3.38Å; L1025-I1192 HydrophobicContact CG-CD1 4.21Å
1026L86.5Confident85.4Confident47 Ų4728.5 Ų28.525%0.24613%0.132CC..Hα-helixtrans-62.1-40174-71.1174000111.8H759 M762 E1022 S1023 S1030H759-L1026 HydrophobicContact CB-CB 4.11Å; M762-L1026 HydrophobicContact CB-CD1 4.49Å; M762-L1026 HydrophobicContact CG-CD1 4.09Å; E1022-L1026 WeakPolarHBondContact O-CG 3.45Å; E1022-L1026 PolarHBondContact O-N 3.13Å; S1023-L1026 PolarHBondContact O-N 3.15Å; L1026-S1030 WeakPolarHBondContact O-CB 3.44Å; L1026-S1030 PolarHBondContact O-N 3.31Å; L1026-S1030 VanDerWaalsContact O-N 3.11Å; L1026-S1030 PolarHBondContact O-OG 2.95Å
1027A86.9Confident84.7Confident4 Ų429.5 Ų29.53%0.03314%0.138CC..Hα-helixtrans-64.7-4217600000111.5H759 C992 S1023 S1024 L1025 S1030 Y1031H759-A1027 HydrophobicContact CB-CB 3.96Å; C992-A1027 HydrophobicContact CB-CB 4.45Å; S1023-A1027 VanDerWaalsContact O-CB 3.29Å; S1023-A1027 WeakPolarHBondContact O-CB 3.41Å; S1023-A1027 PolarHBondContact O-N 2.96Å; S1024-A1027 PolarHBondContact O-N 3.12Å; L1025-A1027 VanDerWaalsContact C-N 3.31Å; L1025-A1027 PolarHBondContact O-N 2.9Å; A1027-S1030 PolarHBondContact O-N 2.91Å; A1027-Y1031 VanDerWaalsContact O-CB 3.25Å; A1027-Y1031 WeakPolarHBondContact O-CB 3.42Å; A1027-Y1031 PolarHBondContact O-N 3.25Å
1028S87.4Confident83.7Confident0 Ų030.9 Ų30.90%015%0.145CC..Hα-helixtrans-64.2-47.4178-1650000112C992 S1024 L1025 S1030 Y1031 W1032 Q1188C992-S1028 WeakPolarHBondContact O-CA 3.42Å; C992-S1028 WeakPolarHBondContact O-CB 3.41Å; C992-S1028 PolarHBondContact O-OG 2.88Å; S1024-S1028 WeakPolarHBondContact O-CB 3.35Å; S1024-S1028 PolarHBondContact O-N 3.38Å; L1025-S1028 PolarHBondContact O-N 3.2Å; S1028-S1030 VanDerWaalsContact C-N 3.29Å; S1028-S1030 PolarHBondContact O-N 3.41Å; S1028-Y1031 WeakPolarHBondContact O-CB 3.45Å; S1028-Y1031 PolarHBondContact O-N 3.12Å; S1028-W1032 PolarHBondContact O-N 3.31Å; S1028-Q1188 PolarHBondContact OG-OE1 3.22Å
1029R87.5Confident82.6Confident64 Ų6433.1 Ų33.124%0.24215%0.154CC..Hα-helixtrans-55.4-46.4175.1-72.1171.4176.9-168.1-4.4111.7L1025 W1032 A1033 L1185 D1189 Q1234L1025-R1029 VanDerWaalsContact O-CG 3.32Å; L1025-R1029 WeakPolarHBondContact O-CG 3.34Å; L1025-R1029 PolarHBondContact O-N 3.13Å; R1029-W1032 PolarHBondContact O-N 2.86Å; R1029-A1033 WeakPolarHBondContact O-CB 3.32Å; R1029-A1033 PolarHBondContact O-N 3.41Å; R1029-L1185 HydrophobicContact CG-CD1 4.25Å; R1029-L1185 HydrophobicContact CG-CD2 4.06Å; R1029-D1189 IonicContact CZ-OD2 2.67Å; R1029-D1189 IonicContact NE-OD2 3.32Å; R1029-D1189 IonicContact NH2-OD2 3.46Å; R1029-D1189 PolarHBondContact NH2-OD2 3.31Å; R1029-Q1234 VanDerWaalsContact NH2-OE1 3.12Å
1030S83.9Confident81.3Confident14 Ų1434.5 Ų34.510%0.09817%0.167CC..Hα-helixtrans-65.6-45.1178.5-51.50000111.2P758 L1026 A1027 S1028 W1032 A1033 H1034P758-S1030 WeakPolarHBondContact CD-OG 3.28Å; P758-S1030 WeakPolarHBondContact CG-OG 3.41Å; L1026-S1030 WeakPolarHBondContact O-CB 3.44Å; L1026-S1030 PolarHBondContact O-N 3.31Å; L1026-S1030 VanDerWaalsContact O-N 3.11Å; L1026-S1030 PolarHBondContact O-OG 2.95Å; A1027-S1030 PolarHBondContact O-N 2.91Å; S1028-S1030 VanDerWaalsContact C-N 3.29Å; S1028-S1030 PolarHBondContact O-N 3.41Å; S1030-W1032 PolarHBondContact O-N 3.32Å; S1030-A1033 PolarHBondContact O-N 2.91Å; S1030-H1034 PolarHBondContact O-CD2 2.99Å; S1030-H1034 PolarHBondContact O-N 3.19Å
1031Y85.6Confident79.8Confident47 Ų4739.7 Ų39.718%0.18419%0.191CC..Hα-helixtrans-56.9-46.6177.5176.6-96.5000112.3L989 C992 I993 A1027 S1028 H1034 R1035L989-Y1031 HydrophobicContact CD1-CD2 4.1Å; L989-Y1031 HydrophobicContact CD1-CE2 3.52Å; C992-Y1031 HydrophobicContact CB-CG 4.37Å; I993-Y1031 HydrophobicContact CG1-CE1 4Å; A1027-Y1031 VanDerWaalsContact O-CB 3.25Å; A1027-Y1031 WeakPolarHBondContact O-CB 3.42Å; A1027-Y1031 PolarHBondContact O-N 3.25Å; S1028-Y1031 WeakPolarHBondContact O-CB 3.45Å; S1028-Y1031 PolarHBondContact O-N 3.12Å; Y1031-H1034 PolarHBondContact O-N 3.43Å; Y1031-R1035 WeakPolarHBondContact O-CB 3.41Å; Y1031-R1035 PolarHBondContact O-N 2.89Å; Y1031-R1035 VanDerWaalsContact O-N 3.1Å; Y1031-R1035 PolarHBondContact OH-NH1 3.26Å
1032W83Confident77.9Confident60 Ų6045.5 Ų45.523%0.22723%0.232CC..Hα-helixtrans-72.3-35.2179.1-74.1113.5000112.9I993 S1028 R1029 S1030 R1035 L1036 M1184 L1185I993-W1032 PolarHBondContact O-NE1 2.97Å; S1028-W1032 PolarHBondContact O-N 3.31Å; R1029-W1032 PolarHBondContact O-N 2.86Å; S1030-W1032 PolarHBondContact O-N 3.32Å; W1032-R1035 PolarHBondContact O-N 3.12Å; W1032-L1036 WeakPolarHBondContact O-CB 3.39Å; W1032-L1036 PolarHBondContact O-N 3.38Å; W1032-M1184 HydrophobicContact CB-CE 4.41Å; W1032-M1184 HydrophobicContact CD2-CE 3.37Å; W1032-M1184 VanDerWaalsContact CE2-CE 3.42Å; W1032-M1184 HydrophobicContact CE3-CE 3.78Å; W1032-M1184 HydrophobicContact CG-CE 3.65Å; W1032-M1184 HydrophobicContact CH2-CE 4.24Å; W1032-M1184 HydrophobicContact CH2-SD 4.42Å; W1032-M1184 HydrophobicContact CZ2-CE 3.89Å; W1032-M1184 HydrophobicContact CZ2-SD 4.25Å; W1032-M1184 HydrophobicContact CZ3-CE 4.19Å; W1032-L1185 HydrophobicContact CB-CD1 4.48Å; W1032-L1185 HydrophobicContact CB-CD2 4.41Å; W1032-L1185 HydrophobicContact CG-CD2 4.38Å
1033A81.7Confident75.8Confident48 Ų4848.5 Ų48.540%0.39725%0.253SS..Hα-helixtrans-59.9-45.1171.700000111.8R1029 S1030 R1035 L1036 V1037R1029-A1033 WeakPolarHBondContact O-CB 3.32Å; R1029-A1033 PolarHBondContact O-N 3.41Å; S1030-A1033 PolarHBondContact O-N 2.91Å; A1033-R1035 PolarHBondContact O-N 3.02Å; A1033-L1036 WeakPolarHBondContact O-CB 3.27Å; A1033-L1036 PolarHBondContact O-N 3.23Å; A1033-V1037 PolarHBondContact O-N 3.4Å
1034H79.7Confident73.6Confident27 Ų2759.2 Ų59.213%0.12529%0.293CS..Hα-helixtrans-58.1-48.4174.1-78.5-57.9000112.3F695 F699 H756 S1030 Y1031 L1036 V1037 D1038F695-H1034 AromaticContact CE1-CE1 3.29Å; F695-H1034 WeakPolarHBondContact CE1-CE1 3.04Å; F695-H1034 AromaticContact CE1-ND1 3.87Å; F695-H1034 AromaticContact CE1-NE2 3.85Å; F695-H1034 AromaticContact CZ-CE1 3.38Å; F695-H1034 WeakPolarHBondContact CZ-CE1 3.2Å; F695-H1034 AromaticContact CZ-ND1 3.47Å; F695-H1034 WeakPolarHBondContact CZ-ND1 3.48Å; F695-H1034 AromaticContact CZ-NE2 3.98Å; F699-H1034 AromaticContact CD2-ND1 3.72Å; F699-H1034 AromaticContact CE2-ND1 3.5Å; F699-H1034 WeakPolarHBondContact CE2-ND1 3.48Å; H756-H1034 AromaticContact ND1-CE1 3.21Å; H756-H1034 PolarHBondContact ND1-CE1 2.88Å; H756-H1034 AromaticContact ND1-NE2 3.69Å; H756-H1034 PolarHBondContact O-NE2 3.31Å; S1030-H1034 PolarHBondContact O-CD2 2.99Å; S1030-H1034 PolarHBondContact O-N 3.19Å; Y1031-H1034 PolarHBondContact O-N 3.43Å; H1034-L1036 VanDerWaalsContact C-N 3.28Å; H1034-L1036 PolarHBondContact O-N 2.98Å; H1034-V1037 PolarHBondContact O-N 3.16Å; H1034-D1038 PolarHBondContact O-N 2.74Å; H1034-D1038 VanDerWaalsContact O-N 3.12Å
1035R78.3Confident71.2Confident141 Ų14161.9 Ų61.953%0.53232%0.321SS..Hα-helixtrans-67.5-29.5-177.2-164.1172.3176.1107.41.7113.2Y1031 W1032 A1033 D1038Y1031-R1035 WeakPolarHBondContact O-CB 3.41Å; Y1031-R1035 PolarHBondContact O-N 2.89Å; Y1031-R1035 VanDerWaalsContact O-N 3.1Å; Y1031-R1035 PolarHBondContact OH-NH1 3.26Å; W1032-R1035 PolarHBondContact O-N 3.12Å; A1033-R1035 PolarHBondContact O-N 3.02Å; R1035-D1038 PolarHBondContact O-N 3.24Å
1036L76.2Confident68.6Low34 Ų3471.4 Ų71.418%0.17836%0.362CS..Hα-helixtrans-66.9-37.1175.9-171.970.1000111.9W1032 A1033 H1034 R1039 C1177 E1178 C1181W1032-L1036 WeakPolarHBondContact O-CB 3.39Å; W1032-L1036 PolarHBondContact O-N 3.38Å; A1033-L1036 WeakPolarHBondContact O-CB 3.27Å; A1033-L1036 PolarHBondContact O-N 3.23Å; H1034-L1036 VanDerWaalsContact C-N 3.28Å; H1034-L1036 PolarHBondContact O-N 2.98Å; L1036-R1039 WeakPolarHBondContact O-CG 3.12Å; L1036-R1039 PolarHBondContact O-NE 2.84Å; L1036-C1177 HydrophobicContact CD1-CB 3.99Å; L1036-E1178 HydrophobicContact CD2-CB 4.37Å; L1036-E1178 HydrophobicContact CD2-CG 3.54Å; L1036-E1178 HydrophobicContact CG-CG 4.3Å; L1036-C1181 HydrophobicContact CD1-CB 4.05Å; L1036-C1181 HydrophobicContact CD2-CB 4.27Å
1037V71.8Confident66.1Low27 Ų2774.9 Ų74.916%0.16439%0.386CS..Hα-helixtrans-74.2-33.5174.3179.70000111.1F699 R702 L703 A1033 H1034 R1039F699-V1037 HydrophobicContact CD2-CB 4.25Å; F699-V1037 HydrophobicContact CD2-CG1 4.14Å; F699-V1037 HydrophobicContact CD2-CG2 4.45Å; F699-V1037 HydrophobicContact CE1-CG2 4.46Å; F699-V1037 HydrophobicContact CE2-CB 3.61Å; F699-V1037 HydrophobicContact CE2-CG1 3.96Å; F699-V1037 HydrophobicContact CE2-CG2 3.49Å; F699-V1037 VanDerWaalsContact CE2-CG2 3.49Å; F699-V1037 HydrophobicContact CZ-CB 4.17Å; F699-V1037 HydrophobicContact CZ-CG2 3.51Å; R702-V1037 HydrophobicContact CB-CG1 3.93Å; L703-V1037 HydrophobicContact CD2-CG1 4.17Å; L703-V1037 HydrophobicContact CD2-CG2 3.62Å; L703-V1037 HydrophobicContact CG-CG1 4.27Å; L703-V1037 HydrophobicContact CG-CG2 4.31Å; A1033-V1037 PolarHBondContact O-N 3.4Å; H1034-V1037 PolarHBondContact O-N 3.16Å; V1037-R1039 VanDerWaalsContact C-N 3.25Å; V1037-R1039 PolarHBondContact O-N 3.1Å
1038D68.3Low63.5Low28 Ų2881 Ų8115%0.1542%0.422CS..THydrogen-bonded Turntrans-80.714.1-177.8-79.2-13.7000116R702 R709 S715 H1034 R1035 V1040R702-D1038 IonicContact CZ-OD1 2.79Å; R702-D1038 IonicContact NH1-OD1 2.83Å; R702-D1038 PolarHBondContact NH1-OD1 3.38Å; R709-D1038 WeakPolarHBondContact CD-O 3.33Å; S715-D1038 WeakPolarHBondContact CB-OD2 3.39Å; H1034-D1038 PolarHBondContact O-N 2.74Å; H1034-D1038 VanDerWaalsContact O-N 3.12Å; R1035-D1038 PolarHBondContact O-N 3.24Å; D1038-V1040 PolarHBondContact O-N 3.49Å
1039R66.8Low60.8Low55 Ų5588.5 Ų88.521%0.20846%0.463CS..PPolyproline II helixtrans-57.5133.9-179-78.3-179.4-82.8162-10.7112.2R709 L1036 V1037 N1174 C1177R709-R1039 WeakPolarHBondContact CB-O 3.15Å; R709-R1039 PolarHBondContact N-O 3.4Å; L1036-R1039 WeakPolarHBondContact O-CG 3.12Å; L1036-R1039 PolarHBondContact O-NE 2.84Å; V1037-R1039 VanDerWaalsContact C-N 3.25Å; V1037-R1039 PolarHBondContact O-N 3.1Å; R1039-N1174 PolarHBondContact NH1-OD1 3.37Å; R1039-C1177 VanDerWaalsContact CZ-CB 3.44Å; R1039-C1177 PolarHBondContact NH1-SG 3.37Å
1040V57.5Low58.1Low74 Ų7490.3 Ų90.345%0.44849%0.485SS..BIsolated β-bridgetrans-89129.7178.9176.80000110.1R709 P711 D1038 S1042R709-V1040 HydrophobicContact CB-CG2 4.18Å; R709-V1040 HydrophobicContact CG-CG2 4.13Å; R709-V1040 CarbonylContact O-C 3.07Å; R709-V1040 VanDerWaalsContact O-CA 3.23Å; R709-V1040 WeakPolarHBondContact O-CA 3.26Å; P711-V1040 HydrophobicContact CB-CG1 4.11Å; P711-V1040 HydrophobicContact CG-CG1 3.99Å; D1038-V1040 PolarHBondContact O-N 3.49Å; V1040-S1042 PolarHBondContact O-N 3.3Å
1041Q56Low55.4Low109 Ų10995.6 Ų95.651%0.50952%0.517SS..PPolyproline II helixtrans-64.5127.3171.2-103.5172.65.700110.5H708 R709 V1043H708-Q1041 HydrophobicContact CB-CB 4.38Å; H708-Q1041 HydrophobicContact CB-CG 3.72Å; R709-Q1041 PolarHBondContact O-N 3.5Å; Q1041-V1043 PolarHBondContact O-N 3.34Å
1042S50Low52.8Low122 Ų12299.1 Ų99.185%0.85354%0.543SS*.PPolyproline II helixtrans-63.4120.8174.2179.60000110.2V1040 R1044V1040-S1042 PolarHBondContact O-N 3.3Å; S1042-R1044 PolarHBondContact O-N 2.89Å
1043V42.8Very low50.1Low106 Ų106106.6 Ų106.664%0.64257%0.573SS**  trans-70.6115.8175.2-178.50000108.1P711 Q1041 G1045P711-V1043 HydrophobicContact CG-CG2 3.34Å; Q1041-V1043 PolarHBondContact O-N 3.34Å; V1043-G1045 PolarHBondContact O-N 2.81Å
1044R39.3Very low47.5Very low227 Ų227111.7 Ų111.786%0.85759%0.594SS**  trans-52110.5172.8-170.9172.1-175.3172.71.3109S1042 K1046S1042-R1044 PolarHBondContact O-N 2.89Å; R1044-K1046 PolarHBondContact O-N 3.34Å
1045G37.8Very low45Very low60 Ų60116.8 Ų116.862%0.61963%0.627SS**  trans-54123.4171.800000108.6V1043 T1047V1043-G1045 PolarHBondContact O-N 2.81Å; G1045-T1047 PolarHBondContact O-N 3.28Å
1046K33.9Very low42.5Very low206 Ų206119.1 Ų119.190%0.89664%0.644SS**  trans-53.5104.6171-72.8175.1176.7176.90107R1044 T1048R1044-K1046 PolarHBondContact O-N 3.34Å; K1046-T1048 PolarHBondContact O-N 3.28Å
1047T34.2Very low40.1Very low120 Ų120122.8 Ų122.874%0.73667%0.672SS**  trans-56.3111.9168.537.60000106.7G1045 N1049G1045-T1047 PolarHBondContact O-N 3.28Å; T1047-N1049 PolarHBondContact O-N 2.81Å
1048T32.4Very low37.8Very low131 Ų131127.7 Ų127.780%0.80470%0.702SS**  trans-51.4125.7173.130.90000108.9K1046 S1050K1046-T1048 PolarHBondContact O-N 3.28Å; T1048-S1050 PolarHBondContact O-N 3.06Å
1049N30.5Very low35.9Very low158 Ų158132.8 Ų132.885%0.84574%0.735SS**  trans-48.4100.9179.2-64.6-24.3000111T1047T1047-N1049 PolarHBondContact O-N 2.81Å
1050S30Very low33.9Very low103 Ų103135.5 Ų135.572%0.7276%0.762SS**  trans-89.5105.3151.534.90000106T1048 V1052T1048-S1050 PolarHBondContact O-N 3.06Å; S1050-V1052 PolarHBondContact O-N 3.12Å
1051T28.3Very low32.5Very low125 Ų125140.8 Ų140.877%0.76778%0.784SS**  trans-5896.6175.346.40000109.6
1052V30.1Very low31.5Very low121 Ų121140.8 Ų140.873%0.73379%0.794SS**  trans-109.4105.3164-177.20000106.5S1050 N1054S1050-V1052 PolarHBondContact O-N 3.12Å; V1052-N1054 PolarHBondContact O-N 3.29Å
1053Y26Very low30.2Very low216 Ų216139.8 Ų139.885%0.84779%0.792SS**  trans-48.5120.6166.5-75.8-93.5000108.8
1054N28.4Very low29.3Very low156 Ų156140.7 Ų140.783%0.83480%0.798SS**  trans-145.7123147.8-99.9-21.5000110V1052V1052-N1054 PolarHBondContact O-N 3.29Å
1055T27.1Very low28.6Very low133 Ų133139.2 Ų139.282%0.81680%0.804SS**  trans-60141.6-17335.40000112.7S1057T1055-S1057 PolarHBondContact O-N 3.26Å
1056Q24.3Very low28Very low191 Ų191144.6 Ų144.689%0.89382%0.815SS**  trans-48.2122.6171.8-65.4159.2-1700111.8
1057S27Very low27.4Very low111 Ų111143.8 Ų143.878%0.77682%0.816SS**  trans-125.393.8152.160.70000107.8T1055 T1059T1055-S1057 PolarHBondContact O-N 3.26Å; S1057-T1059 PolarHBondContact O-N 2.96Å
1058T23.8Very low26.9Very low129 Ų129146.2 Ų146.279%0.79182%0.824SS**  trans-69.5114.7171.746.60000109.9
1059T28.6Very low26.4Very low136 Ų136145 Ų14583%0.83482%0.821SS**  trans-135.998157.548.30000108.9S1057S1057-T1059 PolarHBondContact O-N 2.96Å
1060S23.3Very low26.2Very low111 Ų111143 Ų14378%0.77682%0.819SS**  trans-60.3135.2166.349.60000111.9
1061M28.1Very low25.8Very low186 Ų186144 Ų14492%0.91682%0.821SS**  trans-142.4146.2150.3-83.7-59-178.200109.9
1062P35Very low25.6Very low109 Ų109146 Ų14671%0.70883%0.827SS**  trans-98.5152.3-147.236.4-32.5000114.5T1064P1062-T1064 PolarHBondContact O-N 2.98Å
1063A23.5Very low25.3Very low100 Ų100145.8 Ų145.883%0.82683%0.831SS**  trans-63.2119.4168.500000111.4
1064T24.8Very low25.3Very low125 Ų125139.3 Ų139.377%0.76783%0.83SS**  trans-159103.2152.9-50.50000108.7P1062P1062-T1064 PolarHBondContact O-N 2.98Å
1065M22.8Very low25Very low197 Ų197136.2 Ų136.297%0.9783%0.826SS**  trans-154.7114143.2-125.3-173.3168.200111.6
1066M25.5Very low24.9Very low173 Ų173136 Ų13685%0.85283%0.827SS**  trans-35.1134.4174-77.1169.7175.800116.7L1068M1066-L1068 PolarHBondContact O-N 2.78Å
1067M21.7Very low25Very low189 Ų189135.3 Ų135.393%0.93183%0.829SS**  trans-53.9115.1159.4-68.9-93.8-85.800111
1068L24.8Very low24.8Very low171 Ų171135.3 Ų135.390%0.89583%0.829SS**  trans-92.9104.6165.6-85.1158.1000109M1066 S1070M1066-L1068 PolarHBondContact O-N 2.78Å; L1068-S1070 PolarHBondContact O-N 3.5Å
1069S21.7Very low24.8Very low106 Ų106135 Ų13574%0.74183%0.831SS**  trans-69.3111.3170.149.90000110.6T1071S1069-T1071 PolarHBondContact O-N 3.49Å
1070S24.6Very low24.6Very low114 Ų114133.8 Ų133.880%0.79783%0.829SS**  trans-90.695.4171.158.30000110.5L1068L1068-S1070 PolarHBondContact O-N 3.5Å
1071T22.9Very low24.6Very low124 Ų124134.1 Ų134.176%0.76183%0.831SS**  trans-84.599.7164.348.10000109.1S1069S1069-T1071 PolarHBondContact O-N 3.49Å
1072N24.7Very low24.3Very low167 Ų167133 Ų13389%0.89383%0.827SS**  trans-9994.9166.5-99-5.9000109.3G1074N1072-G1074 PolarHBondContact O-N 3.45Å
1073S23.4Very low23.8Very low117 Ų117133.7 Ų133.782%0.81883%0.831SS**  trans-76.6101.9167.950.80000109.9
1074G24.3Very low23.6Very low80 Ų80133.7 Ų133.783%0.82583%0.825SS**  trans-79.311417000000110.9N1072N1072-G1074 PolarHBondContact O-N 3.45Å
1075A23.9Very low23.4Very low92 Ų92133.5 Ų133.576%0.7682%0.824SS**PPolyproline II helixtrans-76.4142.7171.700000110.8
1076P25.2Very low23.3Very low129 Ų129131.8 Ų131.884%0.83882%0.819SS**PPolyproline II helixtrans-85.4129.4-172.332.6-30.5000111.9
1077L26Very low23.2Very low176 Ų176129.3 Ų129.392%0.92181%0.814SS**PPolyproline II helixtrans-73.2128.1178.2-75.6160.6000111.3
1078S23.2Very low23.1Very low111 Ų111127.4 Ų127.478%0.77681%0.807SS**PPolyproline II helixtrans-64.9133178.847.50000113S1080S1078-S1080 PolarHBondContact O-N 3.49Å
1079S22.1Very low23Very low121 Ų121126.9 Ų126.985%0.84681%0.805SS**PPolyproline II helixtrans-60.3117.5170.151.90000112.6
1080S25Very low22.9Very low112 Ų112129.3 Ų129.378%0.78381%0.808SS**PPolyproline II helixtrans-99.6123162.156.20000109.7S1078S1078-S1080 PolarHBondContact O-N 3.49Å
1081S23.7Very low22.7Very low117 Ų117130.6 Ų130.682%0.81881%0.806SS**PPolyproline II helixtrans-58.5134.8-179.434.90000114.4
1082I22Very low22.8Very low164 Ų164132.3 Ų132.384%0.84181%0.806SS**PPolyproline II helixtrans-81.5122.8173.1-61.5160.7000108.5
1083P23.6Very low22.6Very low122 Ų122130.4 Ų130.479%0.79280%0.795SS**PPolyproline II helixtrans-89.7136.3165.318-2000110.6
1084S19.7Very low22.5Very low100 Ų100131.7 Ų131.770%0.69980%0.798SS**PPolyproline II helixtrans-78.7157.1-179.3500000113.5
1085T20.6Very low22.4Very low121 Ų121133.3 Ų133.374%0.74280%0.797SS**  trans67.9110.2154.552.90000119
1086N21.4Very low22.3Very low161 Ų161133.8 Ų133.886%0.86180%0.795SS**  -161.5113.4114.3-93-12.8000110.4
1087T22.2Very low22.1Very low122 Ų122135.7 Ų135.775%0.74880%0.797SS**  trans-63.5132.6156.4400000109.2
1088D20.6Very low21.9Very low149 Ų149133 Ų13380%0.79779%0.789SS**  trans-178.7140.9131.5-94.4-21.2000113.7
1089L22.5Very low21.9Very low160 Ų160134.3 Ų134.384%0.83879%0.785SS**  trans86.197.4153.6-65.9160.8000120.8
1090L18.8Very low21.7Very low156 Ų156135.9 Ų135.982%0.81778%0.784SS**  trans-31127.6138.7-70.2147000114.2
1091N21.8Very low21.5Very low141 Ų141141.1 Ų141.175%0.75479%0.788SS**  172.6142.3115.5-96.2-16.8000113.5
1092Q23.3Very low21.4Very low160 Ų160141 Ų14175%0.74879%0.785SS**  trans86.8106.9149.3-73173.2-11.100121
1093D21Very low21.3Very low127 Ų127142.8 Ų142.868%0.67979%0.787SS**  78.696.8123.3-55.7-14.5000119.9S1095D1093-S1095 PolarHBondContact O-N 3.08Å
1094T22.1Very low21.2Very low144 Ų144145 Ų14588%0.88379%0.791SS**  trans12.996.6132.351.10000116
1095S21.8Very low21.3Very low114 Ų114147.7 Ų147.780%0.79780%0.796SS**  trans-138.5120.815248.50000110D1093D1093-S1095 PolarHBondContact O-N 3.08Å
1096S22.2Very low21.3Very low103 Ų103145.3 Ų145.372%0.7280%0.795SS**  trans-39.9129.2176.946.10000114.8T1098S1096-T1098 PolarHBondContact O-N 3.33Å
1097L21.1Very low21.2Very low168 Ų168143.4 Ų143.488%0.8879%0.794SS**  trans-59.793168.2-72.3159.7000110.9I1099L1097-I1099 PolarHBondContact O-N 2.89Å
1098T20.7Very low21.3Very low121 Ų121143.3 Ų143.374%0.74280%0.799SS**  trans-78.398.4161.243.20000109.1S1096S1096-T1098 PolarHBondContact O-N 3.33Å
1099I23Very low21.3Very low138 Ų138146 Ų14671%0.70880%0.803SS**PPolyproline II helixtrans-88.3116.6167-63.3175.9000107.6L1097 Y1101L1097-I1099 PolarHBondContact O-N 2.89Å; I1099-Y1101 PolarHBondContact O-N 3.09Å
1100N19.3Very low21.1Very low153 Ų153145.8 Ų145.882%0.81880%0.802SS**PPolyproline II helixtrans-65.9121.1-177.1-78.1-35.8000112.4
1101Y20.9Very low21.2Very low222 Ų222146.2 Ų146.287%0.87180%0.804SS**PPolyproline II helixtrans-79.5134.1168.3-76.4-90.1000111.2I1099I1099-Y1101 PolarHBondContact O-N 3.09Å
1102P21.2Very low21.2Very low114 Ų114144.6 Ų144.674%0.7480%0.799SS**PPolyproline II helixtrans-79.4126.6179.230.8-30.2000111.2L1104P1102-L1104 PolarHBondContact O-N 3.05Å
1103K18.8Very low21.1Very low203 Ų203142.9 Ų142.988%0.88380%0.8SS**PPolyproline II helixtrans-66.9120.6172.7-74.6174174.2174.40110.6
1104L22.1Very low21.1Very low169 Ų169144 Ų14489%0.88581%0.806SS**  trans-111111.2166.3-103.7126.7000109.8P1102P1102-L1104 PolarHBondContact O-N 3.05Å
1105I20.9Very low21.1Very low155 Ų155142.8 Ų142.880%0.79580%0.803SS**  trans-92.6125.5170.1-67.1166.1000106.7
1106G22Very low21.1Very low71 Ų71140.8 Ų140.873%0.73280%0.801SS**  trans-156.590176.600000111.4
1107S19.1Very low21.1Very low121 Ų121144.9 Ų144.985%0.84681%0.808SS**  trans-74.8123176.1-36.40000110.3
1108S23.2Very low21.1Very low120 Ų120145.9 Ų145.984%0.83981%0.809SS**  trans-117.6125.2172.839.90000111.1
1109K20.9Very low21.2Very low206 Ų206149.7 Ų149.790%0.89682%0.818SS**  trans-72147.3-172.8-83.2170.1168.5174.70113.2
1110L18.6Very low21.1Very low156 Ų156152.4 Ų152.482%0.81783%0.828SS**  trans-49.1137.4165.8-86.686000113.1
1111I22.2Very low21.2Very low165 Ų165154.1 Ų154.185%0.84683%0.831SS**  trans-127.5118.7152.5-64.2177.5000107.5
1112T19.9Very low21.3Very low107 Ų107153.3 Ų153.366%0.65684%0.835SS**  trans-90.5145.4173.143.40000110.8
1113T22.4Very low21.2Very low124 Ų124153.7 Ų153.776%0.76184%0.835SS**  trans145.8143.7153.251.50000107.9
1114D21.1Very low21.5Very low151 Ų151152 Ų15281%0.80784%0.835SS**  cis-170.9150.1-22.1-124-17.7000104.5
1115S20.7Very low21.4Very low117 Ų117148.2 Ų148.282%0.81882%0.823SS**  trans-53.2150.4-178.246.30000117.8
1116G22.5Very low21.5Very low73 Ų73148.1 Ų148.175%0.75382%0.823SS**  trans-173.989.616100000116.7
1117Q23Very low21.4Very low188 Ų188149.2 Ų149.288%0.87982%0.819SS**  trans53.3103.4142.4-59.9179.7-10.900119.7
1118Q20.4Very low21.6Very low190 Ų190149.7 Ų149.789%0.88882%0.817SS**  55.1103.487.2-74-169.9-4.700115.9
1119Q22.5Very low21.5Very low200 Ų200150.9 Ų150.994%0.93582%0.819SS**  trans-144.1134.6145.7-102176.223.800110.5
1120Q22.2Very low21.6Very low196 Ų196145.5 Ų145.592%0.91681%0.807SS**PPolyproline II helixtrans-78.3135.4-161-70158.6-21.500113.2
1121Q21.4Very low21.7Very low189 Ų189146.1 Ų146.188%0.88381%0.81SS**PPolyproline II helixtrans-93.9129.9163.9-80.6174.1-11.400109.5
1122Q21.5Very low21.7Very low204 Ų204143.6 Ų143.695%0.95380%0.803SS**PPolyproline II helixtrans-93.4128.7164.8-93.5179.4-13.600110.1
1123V20.4Very low21.8Very low122 Ų122145.8 Ų145.874%0.73982%0.816SS**PPolyproline II helixtrans-76.5137.7-178.5173.60000110.3
1124N23.6Very low21.8Very low168 Ų168144.4 Ų144.490%0.89881%0.811SS**  trans-146.3111.6146.3-96.3-21.8000110.1
1125S20.2Very low21.8Very low89 Ų89142.4 Ų142.462%0.62281%0.809SS**  trans-65.1146.7173.747.50000113.4
1126I23Very low22Very low154 Ų154144.5 Ų144.579%0.7981%0.81SS**  164.8105.6122.3-80.6158000109.6
1127S21.4Very low22Very low94 Ų94147 Ų14766%0.65781%0.811SS**  trans29.8116.3144.1570000121.3
1128T22.2Very low22Very low131 Ų131144.6 Ų144.680%0.80481%0.809SS**  171.7107.4108.631.30000108.8S1130T1128-S1130 PolarHBondContact O-N 3.46Å
1129V22.1Very low22Very low145 Ų145140.7 Ų140.788%0.87980%0.803SS**  trans-73.895.9-177.7-178.40000109.1
1130S22Very low22.6Very low92 Ų92137.1 Ų137.164%0.64380%0.797SS**  trans-100.1113.6159.237.30000107.2T1128 T1132T1128-S1130 PolarHBondContact O-N 3.46Å; S1130-T1132 VanDerWaalsContact C-N 3.34Å; S1130-T1132 PolarHBondContact O-N 2.99Å
1131L21.8Very low22.6Very low169 Ų169134 Ų13489%0.88579%0.792SS**  trans-60.490.4179.8-75.6155.3000109.8
1132T21.2Very low22.6Very low113 Ų113130.2 Ų130.269%0.69379%0.785SS**  trans-101.6116165.943.80000108.3S1130 S1134S1130-T1132 VanDerWaalsContact C-N 3.34Å; S1130-T1132 PolarHBondContact O-N 2.99Å; T1132-S1134 VanDerWaalsContact C-N 3.27Å; T1132-S1134 PolarHBondContact O-N 3.33Å
1133T21.6Very low22.8Very low152 Ų152126.7 Ų126.793%0.93378%0.778SS**  trans-59.482.8173.838.50000110.1
1134S22.2Very low22.9Very low95 Ų95125.7 Ų125.766%0.66478%0.777SS**  trans-93.9110.7170.647.10000109.2T1132 I1136T1132-S1134 VanDerWaalsContact C-N 3.27Å; T1132-S1134 PolarHBondContact O-N 3.33Å; S1134-I1136 PolarHBondContact O-N 2.58Å; S1134-I1136 VanDerWaalsContact O-N 3.14Å
1135S22.2Very low22.9Very low109 Ų109123.8 Ų123.876%0.76277%0.771SS**  trans-44.1110.117049.10000111.7T1137S1135-T1137 PolarHBondContact O-N 2.91Å; S1135-T1137 VanDerWaalsContact O-N 3.12Å
1136I24.4Very low23Very low162 Ų162125.9 Ų125.983%0.83178%0.775SS**  trans-71.3105.2173.8-63.1172.4000107.9S1134 T1138S1134-I1136 PolarHBondContact O-N 2.58Å; S1134-I1136 VanDerWaalsContact O-N 3.14Å; I1136-T1138 PolarHBondContact O-N 3.41Å
1137T22.1Very low23Very low125 Ų125123.8 Ų123.877%0.76777%0.769SS**  trans-68.4121.2166.136.10000109.2S1135 S1139S1135-T1137 PolarHBondContact O-N 2.91Å; S1135-T1137 VanDerWaalsContact O-N 3.12Å; T1137-S1139 PolarHBondContact O-N 3.01Å
1138T23Very low23.1Very low137 Ų137124.8 Ų124.884%0.8477%0.772SS**  trans-64.2119.817840.70000111.1I1136I1136-T1138 PolarHBondContact O-N 3.41Å
1139S22.2Very low23.2Very low109 Ų109123.8 Ų123.876%0.76277%0.765SS**  trans-117.5120.215654.20000107.5T1137 T1141T1137-S1139 PolarHBondContact O-N 3.01Å; S1139-T1141 PolarHBondContact O-N 3.09Å
1140P34.2Very low23.2Very low124 Ų124122.5 Ų122.581%0.80576%0.763SS**  trans-93.5111-161.934-29.7000110.2
1141T21.8Very low23.4Very low132 Ų132124.2 Ų124.281%0.8176%0.763SS**  trans-150.6147.8157.244.40000109.7S1139S1139-T1141 PolarHBondContact O-N 3.09Å
1142S22.5Very low23.5Very low108 Ų108121.2 Ų121.276%0.75576%0.757SS**SBendtrans84.181.7175.972.30000117.8
1143T24.2Very low23.7Very low131 Ų131122.9 Ų122.980%0.80476%0.761SS**  41.291.3127.546.90000117.4V1145T1143-V1145 PolarHBondContact O-N 3.45Å; T1143-V1145 VanDerWaalsContact O-N 3.14Å
1144S22.6Very low23.9Very low101 Ų101122.2 Ų122.271%0.70676%0.757SS**  trans-54.9106.9161.352.40000111.3N1146S1144-N1146 PolarHBondContact O-N 3.4Å
1145V24.2Very low24Very low128 Ų128124.1 Ų124.178%0.77676%0.759SS**  trans-76.6100.8155.9178.20000106T1143 T1147T1143-V1145 PolarHBondContact O-N 3.45Å; T1143-V1145 VanDerWaalsContact O-N 3.14Å; V1145-T1147 VanDerWaalsContact C-N 3.3Å; V1145-T1147 PolarHBondContact O-N 2.68Å
1146N22.3Very low24.1Very low132 Ų132123.4 Ų123.471%0.70675%0.754SS**  trans-67.685.9175-82.7-11.2000109.7S1144 T1148S1144-N1146 PolarHBondContact O-N 3.4Å; N1146-T1148 VanDerWaalsContact C-N 3.28Å; N1146-T1148 PolarHBondContact O-N 2.86Å; N1146-T1148 VanDerWaalsContact O-N 3.15Å
1147T23.1Very low24Very low110 Ų110121.6 Ų121.668%0.67576%0.756SS**  trans-83.580.4164.8-300000107.7V1145 V1149V1145-T1147 VanDerWaalsContact C-N 3.3Å; V1145-T1147 PolarHBondContact O-N 2.68Å; T1147-V1149 VanDerWaalsContact C-N 3.26Å; T1147-V1149 PolarHBondContact O-N 2.89Å
1148T23Very low24.2Very low115 Ų115121.1 Ų121.171%0.70675%0.752SS**  trans-7089.8164.946.50000107.8N1146 S1150N1146-T1148 VanDerWaalsContact C-N 3.28Å; N1146-T1148 PolarHBondContact O-N 2.86Å; N1146-T1148 VanDerWaalsContact O-N 3.15Å; T1148-S1150 PolarHBondContact O-N 2.78Å; T1148-S1150 VanDerWaalsContact O-N 3.1Å
1149V24.8Very low24.1Very low111 Ų111123.9 Ų123.967%0.67376%0.756SS**  trans-63.8106.5161.4178.60000105.6T1147 I1151T1147-V1149 VanDerWaalsContact C-N 3.26Å; T1147-V1149 PolarHBondContact O-N 2.89Å; V1149-I1151 VanDerWaalsContact C-N 3.29Å; V1149-I1151 HydrophobicContact CG1-CG1 4.49Å; V1149-I1151 PolarHBondContact O-N 2.76Å
1150S22Very low24.3Very low117 Ų117125.7 Ų125.782%0.81876%0.755SS**  trans-6690.2174.539.90000108.8T1148 S1152T1148-S1150 PolarHBondContact O-N 2.78Å; T1148-S1150 VanDerWaalsContact O-N 3.1Å; S1150-S1152 PolarHBondContact O-N 3.07Å
1151I26.9Very low23.8Very low129 Ų129129.5 Ų129.566%0.66276%0.76SS**  trans-67.6112.3173.2-63.1164.3000106.9V1149 N1153V1149-I1151 VanDerWaalsContact C-N 3.29Å; V1149-I1151 HydrophobicContact CG1-CG1 4.49Å; V1149-I1151 PolarHBondContact O-N 2.76Å; I1151-N1153 PolarHBondContact O-N 3.18Å; I1151-N1153 VanDerWaalsContact O-N 3.1Å
1152S23.3Very low24Very low106 Ų106128.6 Ų128.674%0.74176%0.759SS**  trans-65.6108.1172.245.40000109.4S1150 T1154S1150-S1152 PolarHBondContact O-N 3.07Å; S1152-T1154 PolarHBondContact O-N 3.3Å; S1152-T1154 VanDerWaalsContact O-N 3.08Å
1153N25.9Very low24Very low147 Ų147133.2 Ų133.279%0.78677%0.768SS**  trans-54.7105.2176.7-73.9-22.4000112I1151I1151-N1153 PolarHBondContact O-N 3.18Å; I1151-N1153 VanDerWaalsContact O-N 3.1Å
1154T24.5Very low24.2Very low138 Ų138131.9 Ų131.985%0.84777%0.765SS**  trans-103.360153.456.80000109.2S1152S1152-T1154 PolarHBondContact O-N 3.3Å; S1152-T1154 VanDerWaalsContact O-N 3.08Å
1155L25.2Very low24.3Very low136 Ų136134.1 Ų134.171%0.71277%0.768SS**SBendtrans-125.1101.3158.6-87.2159.7000105.6S1157L1155-S1157 PolarHBondContact O-N 2.67Å
1156S24.8Very low24.5Very low94 Ų94134.6 Ų134.666%0.65777%0.772SS**SBendtrans24.492.6158.950.80000116.3V1158S1156-V1158 WeakPolarHBondContact O-CG2 3.47Å; S1156-V1158 PolarHBondContact O-N 2.85Å
1157S21.4Very low24.9Very low124 Ų124136.3 Ų136.387%0.86778%0.781SS**  trans29.584.6148.558.10000117.1L1155L1155-S1157 PolarHBondContact O-N 2.67Å
1158V26.4Very low25.2Very low114 Ų114138.4 Ų138.469%0.69179%0.787SS**  trans-133.2106.7162.9-169.30000109S1156 I1160S1156-V1158 WeakPolarHBondContact O-CG2 3.47Å; S1156-V1158 PolarHBondContact O-N 2.85Å; V1158-I1160 HydrophobicContact CG1-CD1 3.98Å; V1158-I1160 HydrophobicContact CG1-CG1 3.68Å
1159Q20.7Very low25.4Very low195 Ų195137.6 Ų137.691%0.91179%0.785SS**  trans-80.3117.4168.6-75.8177-36.300108.3
1160I26.4Very low26Very low147 Ų147138.1 Ų138.175%0.75479%0.791SS**  trans-115.6119.7177.7-60.5-179.2000109.4V1158V1158-I1160 HydrophobicContact CG1-CD1 3.98Å; V1158-I1160 HydrophobicContact CG1-CG1 3.68Å
1161F24Very low27.1Very low205 Ų205137 Ų13790%0.89978%0.783SS**  trans-73.4135.6171.1-98-97.6000110.7
1162S25.7Very low28.3Very low113 Ų113136.2 Ų136.279%0.7978%0.779SS**  trans-94.5122.8178.355.40000111.7
1163E22.5Very low30.2Very low205 Ų205135.4 Ų135.496%0.95877%0.767SS**  trans-134.4140.2158.9-85.5-171.8166.200110.9
1164S27.6Very low32.2Very low103 Ų103130.8 Ų130.872%0.7274%0.742SS**  trans-97.6157.1-163.250.40000114.6
1165N25.3Very low34.5Very low147 Ų147131.4 Ų131.479%0.78674%0.735SS**  trans88107.1160.3-63.3-22.1000118.6
1166T28.9Very low37Very low138 Ų138130 Ų13085%0.84773%0.725SS**  177.7142110.435.40000111.5I1168T1166-I1168 PolarHBondContact O-N 3.17Å
1167N29.7Very low39.3Very low169 Ų169126.7 Ų126.790%0.90470%0.702SS**  trans-65.5114.3-174.9-69.8-32.5000114.4
1168I29.8Very low42Very low154 Ų154125.5 Ų125.579%0.7968%0.682SS**  trans-145.3135.5160.4-56.8-179.7000109.2T1166T1166-I1168 PolarHBondContact O-N 3.17Å
1169S28.1Very low44.6Very low97 Ų97127.6 Ų127.668%0.67868%0.678SS**  trans-38.9153.6176.653.30000116.3S1171S1169-S1171 PolarHBondContact O-N 2.89Å
1170P36.2Very low47.5Very low122 Ų122123.7 Ų123.779%0.79266%0.663SS**  trans-73.896.4-155.433-33.7000110.8I1172P1170-I1172 PolarHBondContact O-N 3.39Å
1171S45.3Very low50.2Low94 Ų94117.5 Ų117.566%0.65763%0.632SS**  trans-53.1117.4143.449.80000105.7S1169 N1173S1169-S1171 PolarHBondContact O-N 2.89Å; S1171-N1173 PolarHBondContact O-N 3.18Å
1172I52.9Low53.2Low112 Ų112110.7 Ų110.757%0.57461%0.607SS**  trans-41.7114.1175.4-62.3164000107.2P1170 N1174 E1176 C1177P1170-I1172 PolarHBondContact O-N 3.39Å; I1172-N1174 PolarHBondContact O-N 3.21Å; I1172-E1176 HydrophobicContact CG2-CB 4.48Å; I1172-C1177 WeakPolarHBondContact CG2-SG 3.26Å
1173N63.6Low56.1Low89 Ų89108.7 Ų108.748%0.47659%0.588SS.*  trans-58.1131.1-173.1-80.2-22.8000107.1S1171 E1175 E1176 C1177S1171-N1173 PolarHBondContact O-N 3.18Å; N1173-E1175 PolarHBondContact O-N 3.01Å; N1173-E1176 HydrophobicContact CB-CB 4.42Å; N1173-E1176 HydrophobicContact CB-CG 4.02Å; N1173-E1176 WeakPolarHBondContact O-CB 3.01Å; N1173-E1176 PolarHBondContact O-N 2.9Å; N1173-C1177 PolarHBondContact O-N 3.32Å
1174N67.1Low59.3Low50 Ų50102.6 Ų102.627%0.26756%0.56SS.*Hα-helixtrans-53.5-34.3-177.3-79.2-22.7000112.2H708 R1039 I1172 C1177 E1178H708-N1174 PolarHBondContact CE1-OD1 3.11Å; H708-N1174 PolarHBondContact NE2-ND2 2.89Å; H708-N1174 PolarHBondContact NE2-OD1 3.26Å; R1039-N1174 PolarHBondContact NH1-OD1 3.37Å; I1172-N1174 PolarHBondContact O-N 3.21Å; N1174-C1177 PolarHBondContact O-N 2.96Å; N1174-E1178 PolarHBondContact O-N 2.91Å; N1174-E1178 VanDerWaalsContact O-N 3.07Å
1175E72.8Confident62.2Low152 Ų15298.7 Ų98.771%0.7153%0.531SS*.Hα-helixtrans-61-38.3173.1-166.8176.8-175.100113.5N1173 E1178 R1179N1173-E1175 PolarHBondContact O-N 3.01Å; E1175-E1178 PolarHBondContact O-N 3.43Å; E1175-R1179 VanDerWaalsContact O-CB 3.23Å; E1175-R1179 WeakPolarHBondContact O-CB 3.31Å; E1175-R1179 PolarHBondContact O-N 3.45Å
1176E77.2Confident65.3Low105 Ų10592.5 Ų92.549%0.49150%0.498SS..Hα-helixtrans-66-42.7177-74.4177.8171.800111.6I1172 N1173 R1179 L1180I1172-E1176 HydrophobicContact CG2-CB 4.48Å; N1173-E1176 HydrophobicContact CB-CB 4.42Å; N1173-E1176 HydrophobicContact CB-CG 4.02Å; N1173-E1176 WeakPolarHBondContact O-CB 3.01Å; N1173-E1176 PolarHBondContact O-N 2.9Å; E1176-R1179 PolarHBondContact O-N 3.24Å; E1176-L1180 WeakPolarHBondContact O-CB 3.43Å; E1176-L1180 VanDerWaalsContact O-CG 3.26Å; E1176-L1180 WeakPolarHBondContact O-CG 3.48Å; E1176-L1180 PolarHBondContact O-N 3.44Å
1177C73.8Confident68.1Low25 Ų2589.6 Ų89.617%0.16948%0.48CS..Hα-helixtrans-68.8-39.1176.6-74.90000112.7L1036 R1039 I1172 N1173 N1174 R1179 L1180 C1181L1036-C1177 HydrophobicContact CD1-CB 3.99Å; R1039-C1177 VanDerWaalsContact CZ-CB 3.44Å; R1039-C1177 PolarHBondContact NH1-SG 3.37Å; I1172-C1177 WeakPolarHBondContact CG2-SG 3.26Å; N1173-C1177 PolarHBondContact O-N 3.32Å; N1174-C1177 PolarHBondContact O-N 2.96Å; C1177-R1179 VanDerWaalsContact C-N 3.28Å; C1177-L1180 PolarHBondContact O-N 3.22Å; C1177-C1181 VanDerWaalsContact O-CB 3.31Å; C1177-C1181 WeakPolarHBondContact O-CB 3.29Å; C1177-C1181 PolarHBondContact O-N 3.24Å
1178E79Confident71Confident100 Ų10082.4 Ų82.447%0.46744%0.441SS..Hα-helixtrans-59.1-44.4172.9-83.4166.8-155.800110.7L1036 N1174 E1175 C1181 T1182L1036-E1178 HydrophobicContact CD2-CB 4.37Å; L1036-E1178 HydrophobicContact CD2-CG 3.54Å; L1036-E1178 HydrophobicContact CG-CG 4.3Å; N1174-E1178 PolarHBondContact O-N 2.91Å; N1174-E1178 VanDerWaalsContact O-N 3.07Å; E1175-E1178 PolarHBondContact O-N 3.43Å; E1178-C1181 PolarHBondContact O-N 3.4Å; E1178-T1182 WeakPolarHBondContact O-CB 3.35Å; E1178-T1182 WeakPolarHBondContact O-CG2 3.48Å; E1178-T1182 PolarHBondContact O-N 2.94Å; E1178-T1182 PolarHBondContact O-OG1 3.4Å
1179R79.6Confident73.9Confident157 Ų15775.1 Ų75.159%0.59240%0.404SS*.Hα-helixtrans-62.5-42.1173.8-172.1176178.1179.8-1.8112.7E1175 E1176 C1177 T1182 N1183E1175-R1179 VanDerWaalsContact O-CB 3.23Å; E1175-R1179 WeakPolarHBondContact O-CB 3.31Å; E1175-R1179 PolarHBondContact O-N 3.45Å; E1176-R1179 PolarHBondContact O-N 3.24Å; C1177-R1179 VanDerWaalsContact C-N 3.28Å; R1179-T1182 WeakPolarHBondContact CA-OG1 3.49Å; R1179-T1182 PolarHBondContact O-OG1 3.41Å; R1179-N1183 VanDerWaalsContact O-CB 3.26Å; R1179-N1183 WeakPolarHBondContact O-CB 3.31Å; R1179-N1183 PolarHBondContact O-N 2.95Å; R1179-N1183 PolarHBondContact O-ND2 3.43Å; R1179-N1183 PolarHBondContact O-OD1 2.7Å
1180L83.1Confident76.8Confident114 Ų11470.5 Ų70.560%0.59737%0.372SS*.Hα-helixtrans-66.5-41.3176.9-74171.4000112.2E1176 C1177 N1183 M1184E1176-L1180 WeakPolarHBondContact O-CB 3.43Å; E1176-L1180 VanDerWaalsContact O-CG 3.26Å; E1176-L1180 WeakPolarHBondContact O-CG 3.48Å; E1176-L1180 PolarHBondContact O-N 3.44Å; C1177-L1180 PolarHBondContact O-N 3.22Å; L1180-N1183 PolarHBondContact O-N 3.46Å; L1180-M1184 WeakPolarHBondContact O-CB 3.22Å; L1180-M1184 PolarHBondContact O-N 3.35Å
1181C83.2Confident79.4Confident16 Ų1666.6 Ų66.611%0.10835%0.346CS..Hα-helixtrans-63.8-47.8178.1-174.90000111.3L1036 C1177 E1178 N1183 M1184 L1185L1036-C1181 HydrophobicContact CD1-CB 4.05Å; L1036-C1181 HydrophobicContact CD2-CB 4.27Å; C1177-C1181 VanDerWaalsContact O-CB 3.31Å; C1177-C1181 WeakPolarHBondContact O-CB 3.29Å; C1177-C1181 PolarHBondContact O-N 3.24Å; E1178-C1181 PolarHBondContact O-N 3.4Å; C1181-N1183 PolarHBondContact O-N 2.89Å; C1181-M1184 PolarHBondContact O-N 3.37Å; C1181-L1185 WeakPolarHBondContact O-CG 3.46Å; C1181-L1185 PolarHBondContact O-N 2.94Å
1182T86.2Confident81.6Confident62 Ų6262.1 Ų62.138%0.3831%0.314SS..Hα-helixtrans-62.3-42.117649.30000111.8E1178 R1179 M1184 L1185 L1186E1178-T1182 WeakPolarHBondContact O-CB 3.35Å; E1178-T1182 WeakPolarHBondContact O-CG2 3.48Å; E1178-T1182 PolarHBondContact O-N 2.94Å; E1178-T1182 PolarHBondContact O-OG1 3.4Å; R1179-T1182 WeakPolarHBondContact CA-OG1 3.49Å; R1179-T1182 PolarHBondContact O-OG1 3.41Å; T1182-M1184 PolarHBondContact O-N 2.87Å; T1182-L1185 PolarHBondContact O-N 3.43Å; T1182-L1186 WeakPolarHBondContact O-CB 3.49Å; T1182-L1186 WeakPolarHBondContact O-CG 3.3Å; T1182-L1186 PolarHBondContact O-N 3.42Å
1183N87.4Confident83.4Confident72 Ų7256.8 Ų56.839%0.38529%0.287SS..Hα-helixtrans-62.6-40174.7-73.6-13.5000112.8R1179 L1180 C1181 L1186 T1187R1179-N1183 VanDerWaalsContact O-CB 3.26Å; R1179-N1183 WeakPolarHBondContact O-CB 3.31Å; R1179-N1183 PolarHBondContact O-N 2.95Å; R1179-N1183 PolarHBondContact O-ND2 3.43Å; R1179-N1183 PolarHBondContact O-OD1 2.7Å; L1180-N1183 PolarHBondContact O-N 3.46Å; C1181-N1183 PolarHBondContact O-N 2.89Å; N1183-L1186 PolarHBondContact O-N 2.9Å; N1183-T1187 WeakPolarHBondContact O-CB 3.43Å; N1183-T1187 PolarHBondContact O-N 3Å; N1183-T1187 PolarHBondContact O-OG1 3.18Å
1184M88.5Confident84.7Confident76 Ų7654.9 Ų54.937%0.37428%0.275SS..Hα-helixtrans-64.4-46.5177.3177.2-170.173.100111.2W1032 L1180 C1181 T1182 L1186 T1187 Q1188W1032-M1184 HydrophobicContact CB-CE 4.41Å; W1032-M1184 HydrophobicContact CD2-CE 3.37Å; W1032-M1184 VanDerWaalsContact CE2-CE 3.42Å; W1032-M1184 HydrophobicContact CE3-CE 3.78Å; W1032-M1184 HydrophobicContact CG-CE 3.65Å; W1032-M1184 HydrophobicContact CH2-CE 4.24Å; W1032-M1184 HydrophobicContact CH2-SD 4.42Å; W1032-M1184 HydrophobicContact CZ2-CE 3.89Å; W1032-M1184 HydrophobicContact CZ2-SD 4.25Å; W1032-M1184 HydrophobicContact CZ3-CE 4.19Å; L1180-M1184 WeakPolarHBondContact O-CB 3.22Å; L1180-M1184 PolarHBondContact O-N 3.35Å; C1181-M1184 PolarHBondContact O-N 3.37Å; T1182-M1184 PolarHBondContact O-N 2.87Å; M1184-L1186 VanDerWaalsContact C-N 3.35Å; M1184-T1187 WeakPolarHBondContact O-CB 3.33Å; M1184-T1187 PolarHBondContact O-N 2.72Å; M1184-Q1188 WeakPolarHBondContact O-CB 3.43Å; M1184-Q1188 PolarHBondContact O-N 3.43Å
1185L88.8Confident85.7Confident21 Ų2155 Ų5511%0.1128%0.276CS..Hα-helixtrans-62.2-42.4176-70168.7000111.5R1029 W1032 C1181 T1182 T1187 Q1188 D1189R1029-L1185 HydrophobicContact CG-CD1 4.25Å; R1029-L1185 HydrophobicContact CG-CD2 4.06Å; W1032-L1185 HydrophobicContact CB-CD1 4.48Å; W1032-L1185 HydrophobicContact CB-CD2 4.41Å; W1032-L1185 HydrophobicContact CG-CD2 4.38Å; C1181-L1185 WeakPolarHBondContact O-CG 3.46Å; C1181-L1185 PolarHBondContact O-N 2.94Å; T1182-L1185 PolarHBondContact O-N 3.43Å; L1185-T1187 VanDerWaalsContact C-N 3.32Å; L1185-T1187 PolarHBondContact O-N 2.74Å; L1185-Q1188 WeakPolarHBondContact O-CB 3.41Å; L1185-Q1188 PolarHBondContact O-N 3.34Å; L1185-D1189 PolarHBondContact O-N 3.32Å
1186L89.4Confident86.6Confident18 Ų1847.8 Ų47.89%0.09424%0.242CC..Hα-helixtrans-61.2-40.7173.7-81.6171.2000112.4T1182 N1183 M1184 D1189 S1190 Q1234 V1236 I1240T1182-L1186 WeakPolarHBondContact O-CB 3.49Å; T1182-L1186 WeakPolarHBondContact O-CG 3.3Å; T1182-L1186 PolarHBondContact O-N 3.42Å; N1183-L1186 PolarHBondContact O-N 2.9Å; M1184-L1186 VanDerWaalsContact C-N 3.35Å; L1186-D1189 PolarHBondContact O-N 3.19Å; L1186-S1190 WeakPolarHBondContact O-CB 3.29Å; L1186-S1190 PolarHBondContact O-N 3.5Å; L1186-S1190 PolarHBondContact O-OG 3.21Å; L1186-Q1234 VanDerWaalsContact CD2-CD 3.49Å; L1186-Q1234 HydrophobicContact CD2-CG 4.2Å; L1186-V1236 HydrophobicContact CD1-CG1 4.4Å; L1186-I1240 HydrophobicContact CB-CD1 3.92Å; L1186-I1240 HydrophobicContact CD1-CD1 4.07Å; L1186-I1240 HydrophobicContact CD2-CD1 3.95Å; L1186-I1240 HydrophobicContact CG-CD1 4.22Å
1187T88.8Confident87.1Confident77 Ų7743 Ų4347%0.47222%0.22SC..Hα-helixtrans-64.7-46.6177.1-560000109.9N1183 M1184 L1185 D1189 S1190 T1191N1183-T1187 WeakPolarHBondContact O-CB 3.43Å; N1183-T1187 PolarHBondContact O-N 3Å; N1183-T1187 PolarHBondContact O-OG1 3.18Å; M1184-T1187 WeakPolarHBondContact O-CB 3.33Å; M1184-T1187 PolarHBondContact O-N 2.72Å; L1185-T1187 VanDerWaalsContact C-N 3.32Å; L1185-T1187 PolarHBondContact O-N 2.74Å; T1187-D1189 PolarHBondContact O-N 3.39Å; T1187-S1190 WeakPolarHBondContact CA-OG 3.45Å; T1187-S1190 PolarHBondContact O-N 3.2Å; T1187-S1190 PolarHBondContact O-OG 3.21Å; T1187-T1191 HydrophobicContact CG2-CG2 4.4Å; T1187-T1191 VanDerWaalsContact O-CG2 3.3Å; T1187-T1191 WeakPolarHBondContact O-CG2 3.24Å; T1187-T1191 PolarHBondContact O-N 3.21Å; T1187-T1191 PolarHBondContact O-OG1 2.86Å
1188Q89.6Confident87.7Confident18 Ų1846.9 Ų46.98%0.08424%0.235CC..Hα-helixtrans-54.3-52.7174.8174.2176.26700111.7P995 V996 L1025 S1028 M1184 L1185 S1190 T1191 I1192P995-Q1188 HydrophobicContact CG-CG 4.32Å; P995-Q1188 VanDerWaalsContact CG-NE2 3.26Å; V996-Q1188 HydrophobicContact CG2-CB 4.47Å; V996-Q1188 HydrophobicContact CG2-CG 3.75Å; L1025-Q1188 HydrophobicContact CD2-CG 4.43Å; S1028-Q1188 PolarHBondContact OG-OE1 3.22Å; M1184-Q1188 WeakPolarHBondContact O-CB 3.43Å; M1184-Q1188 PolarHBondContact O-N 3.43Å; L1185-Q1188 WeakPolarHBondContact O-CB 3.41Å; L1185-Q1188 PolarHBondContact O-N 3.34Å; Q1188-S1190 VanDerWaalsContact C-N 3.31Å; Q1188-S1190 PolarHBondContact O-N 3.12Å; Q1188-T1191 PolarHBondContact O-N 3.36Å; Q1188-T1191 PolarHBondContact O-OG1 3.39Å; Q1188-I1192 HydrophobicContact CG-CD1 4.18Å; Q1188-I1192 WeakPolarHBondContact O-CG1 3.37Å; Q1188-I1192 PolarHBondContact O-N 2.87Å; Q1188-I1192 VanDerWaalsContact O-N 3.07Å
1189D90.8Very high88Confident0 Ų044.6 Ų44.60%022%0.223CC..Hα-helixtrans-61.8-39.9178.8-67.3-25.5000111.7L1025 R1029 L1185 L1186 T1187 I1192 I1193 L1237L1025-D1189 WeakPolarHBondContact CD2-OD1 3.25Å; R1029-D1189 IonicContact CZ-OD2 2.67Å; R1029-D1189 IonicContact NE-OD2 3.32Å; R1029-D1189 IonicContact NH2-OD2 3.46Å; R1029-D1189 PolarHBondContact NH2-OD2 3.31Å; L1185-D1189 PolarHBondContact O-N 3.32Å; L1186-D1189 PolarHBondContact O-N 3.19Å; T1187-D1189 PolarHBondContact O-N 3.39Å; D1189-I1192 PolarHBondContact O-N 3.23Å; D1189-I1193 WeakPolarHBondContact O-CG1 3.45Å; D1189-I1193 PolarHBondContact O-N 3.44Å; D1189-L1237 HydrophobicContact CB-CD1 3.79Å; D1189-L1237 HydrophobicContact CB-CD2 3.9Å
1190S90.8Very high88.2Confident0 Ų037.2 Ų37.20%020%0.195CC..Hα-helixtrans-64.1-42.6178.173.20000111.9L1186 T1187 Q1188 I1192 I1193 Q1194 Q1244L1186-S1190 WeakPolarHBondContact O-CB 3.29Å; L1186-S1190 PolarHBondContact O-N 3.5Å; L1186-S1190 PolarHBondContact O-OG 3.21Å; T1187-S1190 WeakPolarHBondContact CA-OG 3.45Å; T1187-S1190 PolarHBondContact O-N 3.2Å; T1187-S1190 PolarHBondContact O-OG 3.21Å; Q1188-S1190 VanDerWaalsContact C-N 3.31Å; Q1188-S1190 PolarHBondContact O-N 3.12Å; S1190-I1192 VanDerWaalsContact C-N 3.35Å; S1190-I1192 PolarHBondContact O-N 3.43Å; S1190-I1193 PolarHBondContact O-N 3.48Å; S1190-Q1194 WeakPolarHBondContact O-CG 3.41Å; S1190-Q1194 PolarHBondContact O-N 2.92Å; S1190-Q1244 PolarHBondContact OG-NE2 2.89Å; S1190-Q1244 VanDerWaalsContact OG-NE2 3.13Å
1191T90.6Very high88.2Confident41 Ų4134.3 Ų34.325%0.25218%0.18SC..Hα-helixtrans-64.5-39.817858.90000111.7V996 T1187 Q1188 I1193 Q1194 L1195V996-T1191 VanDerWaalsContact CG2-OG1 3.26Å; V996-T1191 WeakPolarHBondContact CG2-OG1 3.43Å; T1187-T1191 HydrophobicContact CG2-CG2 4.4Å; T1187-T1191 VanDerWaalsContact O-CG2 3.3Å; T1187-T1191 WeakPolarHBondContact O-CG2 3.24Å; T1187-T1191 PolarHBondContact O-N 3.21Å; T1187-T1191 PolarHBondContact O-OG1 2.86Å; Q1188-T1191 PolarHBondContact O-N 3.36Å; Q1188-T1191 PolarHBondContact O-OG1 3.39Å; T1191-I1193 PolarHBondContact O-N 2.67Å; T1191-Q1194 PolarHBondContact O-N 3.32Å; T1191-L1195 VanDerWaalsContact O-CG 3.27Å; T1191-L1195 WeakPolarHBondContact O-CG 3.29Å; T1191-L1195 PolarHBondContact O-N 2.9Å
1192I91.5Very high87.9Confident0 Ų035.2 Ų35.20%019%0.186CC..Hα-helixtrans-61.8-45.8175.2-72.4165.4000110.3V996 L1021 L1025 Q1188 D1189 S1190 L1195 L1196V996-I1192 HydrophobicContact CG2-CD1 3.92Å; V996-I1192 HydrophobicContact CG2-CG1 3.68Å; L1021-I1192 HydrophobicContact CD1-CD1 4.16Å; L1021-I1192 HydrophobicContact CD1-CG2 4.42Å; L1021-I1192 HydrophobicContact CD2-CG2 3.75Å; L1021-I1192 HydrophobicContact CG-CG2 4.44Å; L1025-I1192 HydrophobicContact CD1-CD1 4.29Å; L1025-I1192 HydrophobicContact CD2-CD1 3.38Å; L1025-I1192 HydrophobicContact CG-CD1 4.21Å; Q1188-I1192 HydrophobicContact CG-CD1 4.18Å; Q1188-I1192 WeakPolarHBondContact O-CG1 3.37Å; Q1188-I1192 PolarHBondContact O-N 2.87Å; Q1188-I1192 VanDerWaalsContact O-N 3.07Å; D1189-I1192 PolarHBondContact O-N 3.23Å; S1190-I1192 VanDerWaalsContact C-N 3.35Å; S1190-I1192 PolarHBondContact O-N 3.43Å; I1192-L1195 PolarHBondContact O-N 3.28Å; I1192-L1196 HydrophobicContact CG2-CD1 3.85Å; I1192-L1196 HydrophobicContact CG2-CG 4.33Å; I1192-L1196 WeakPolarHBondContact O-CB 3.39Å; I1192-L1196 VanDerWaalsContact O-CG 3.28Å; I1192-L1196 WeakPolarHBondContact O-CG 3.33Å; I1192-L1196 PolarHBondContact O-N 3.01Å
1193I90.8Very high87.3Confident0 Ų034.8 Ų34.80%018%0.183CC..Hα-helixtrans-65.9-41-179.7-67.6172000111.2D1189 S1190 T1191 L1195 L1196 L1197 I1227 L1230 F1231 L1237 I1241D1189-I1193 WeakPolarHBondContact O-CG1 3.45Å; D1189-I1193 PolarHBondContact O-N 3.44Å; S1190-I1193 PolarHBondContact O-N 3.48Å; T1191-I1193 PolarHBondContact O-N 2.67Å; I1193-L1195 PolarHBondContact O-N 2.87Å; I1193-L1196 PolarHBondContact O-N 3.46Å; I1193-L1197 HydrophobicContact CG2-CD1 3.96Å; I1193-L1197 HydrophobicContact CG2-CG 4.2Å; I1193-L1197 WeakPolarHBondContact O-CB 3.44Å; I1193-L1197 VanDerWaalsContact O-CG 3.3Å; I1193-L1197 WeakPolarHBondContact O-CG 3.48Å; I1193-L1197 PolarHBondContact O-N 2.89Å; I1193-I1227 HydrophobicContact CD1-CG2 4.44Å; I1193-I1227 HydrophobicContact CG1-CG1 4.42Å; I1193-I1227 HydrophobicContact CG2-CD1 3.98Å; I1193-I1227 HydrophobicContact CG2-CG1 4.02Å; I1193-I1227 HydrophobicContact CG2-CG2 3.87Å; I1193-L1230 HydrophobicContact CD1-CB 4.28Å; I1193-L1230 HydrophobicContact CD1-CD1 3.9Å; I1193-L1230 HydrophobicContact CG1-CD1 3.97Å; I1193-F1231 HydrophobicContact CD1-CD1 4.36Å; I1193-F1231 HydrophobicContact CD1-CE1 3.78Å; I1193-L1237 HydrophobicContact CD1-CD1 4.27Å; I1193-L1237 HydrophobicContact CD1-CD2 3.31Å; I1193-L1237 HydrophobicContact CD1-CG 3.7Å; I1193-I1241 HydrophobicContact CB-CD1 3.74Å; I1193-I1241 HydrophobicContact CD1-CD1 3.68Å; I1193-I1241 HydrophobicContact CG1-CD1 4.32Å; I1193-I1241 HydrophobicContact CG2-CD1 3.41Å; I1193-I1241 VanDerWaalsContact CG2-CD1 3.41Å; I1193-I1241 HydrophobicContact CG2-CG1 4.31Å
1194Q89.2Confident86.3Confident49 Ų4937 Ų3723%0.22919%0.191CC..Hα-helixtrans-58.8-48.1174.5-73.5-172.8-40.800111.7S1190 T1191 L1196 L1197 E1198 Q1244S1190-Q1194 WeakPolarHBondContact O-CG 3.41Å; S1190-Q1194 PolarHBondContact O-N 2.92Å; T1191-Q1194 PolarHBondContact O-N 3.32Å; Q1194-L1196 PolarHBondContact O-N 2.74Å; Q1194-L1197 PolarHBondContact O-N 3.19Å; Q1194-E1198 WeakPolarHBondContact O-CG 3.38Å; Q1194-E1198 PolarHBondContact O-N 2.84Å; Q1194-Q1244 VanDerWaalsContact NE2-OE1 3.09Å
1195L89.1Confident85.1Confident52 Ų5237.9 Ų37.927%0.27220%0.197SC..Hα-helixtrans-59.7-46.6176.7-69.4169.7000111M1000 T1191 I1192 I1193 L1197 E1198 Y1199M1000-L1195 HydrophobicContact CB-CD1 4.4Å; M1000-L1195 HydrophobicContact CE-CB 3.9Å; M1000-L1195 HydrophobicContact CG-CB 4.29Å; M1000-L1195 HydrophobicContact CG-CD1 3.64Å; T1191-L1195 VanDerWaalsContact O-CG 3.27Å; T1191-L1195 WeakPolarHBondContact O-CG 3.29Å; T1191-L1195 PolarHBondContact O-N 2.9Å; I1192-L1195 PolarHBondContact O-N 3.28Å; I1193-L1195 PolarHBondContact O-N 2.87Å; L1195-L1197 VanDerWaalsContact C-N 3.33Å; L1195-L1197 PolarHBondContact O-N 2.72Å; L1195-E1198 WeakPolarHBondContact O-CB 3.28Å; L1195-E1198 PolarHBondContact O-N 3.43Å; L1195-Y1199 HydrophobicContact CB-CE2 4.37Å; L1195-Y1199 WeakPolarHBondContact O-CD2 3.26Å; L1195-Y1199 PolarHBondContact O-N 3.1Å
1196L90.6Very high84Confident0 Ų038.6 Ų38.60%020%0.2CC..Hα-helixtrans-61.1-39.1177.2-73.4175.2000112.9M1000 F1008 L1018 L1021 I1192 I1193 Q1194 Y1199 C1200 I1223 F1226 I1227M1000-L1196 HydrophobicContact CE-CD2 3.85Å; M1000-L1196 HydrophobicContact CE-CG 4.21Å; M1000-L1196 HydrophobicContact SD-CD2 4.46Å; F1008-L1196 HydrophobicContact CE1-CD2 4.16Å; L1018-L1196 HydrophobicContact CD2-CD1 4.15Å; L1018-L1196 HydrophobicContact CD2-CD2 3.96Å; L1021-L1196 HydrophobicContact CD2-CD1 4.22Å; I1192-L1196 HydrophobicContact CG2-CD1 3.85Å; I1192-L1196 HydrophobicContact CG2-CG 4.33Å; I1192-L1196 WeakPolarHBondContact O-CB 3.39Å; I1192-L1196 VanDerWaalsContact O-CG 3.28Å; I1192-L1196 WeakPolarHBondContact O-CG 3.33Å; I1192-L1196 PolarHBondContact O-N 3.01Å; I1193-L1196 PolarHBondContact O-N 3.46Å; Q1194-L1196 PolarHBondContact O-N 2.74Å; L1196-Y1199 PolarHBondContact O-N 2.88Å; L1196-C1200 PolarHBondContact O-N 2.77Å; L1196-C1200 PolarHBondContact O-SG 2.8Å; L1196-C1200 VanDerWaalsContact O-SG 3.35Å; L1196-I1223 HydrophobicContact CB-CG2 3.85Å; L1196-F1226 HydrophobicContact CD1-CD1 3.85Å; L1196-F1226 HydrophobicContact CD1-CE1 3.92Å; L1196-I1227 HydrophobicContact CB-CD1 4.46Å
1197L87.9Confident82.9Confident6 Ų643.1 Ų43.13%0.03122%0.219CC..Hα-helixtrans-64.1-43.3173.9-75173.6000111I1193 Q1194 L1195 Y1199 C1200 I1227 I1241 Y1246 L1250I1193-L1197 HydrophobicContact CG2-CD1 3.96Å; I1193-L1197 HydrophobicContact CG2-CG 4.2Å; I1193-L1197 WeakPolarHBondContact O-CB 3.44Å; I1193-L1197 VanDerWaalsContact O-CG 3.3Å; I1193-L1197 WeakPolarHBondContact O-CG 3.48Å; I1193-L1197 PolarHBondContact O-N 2.89Å; Q1194-L1197 PolarHBondContact O-N 3.19Å; L1195-L1197 VanDerWaalsContact C-N 3.33Å; L1195-L1197 PolarHBondContact O-N 2.72Å; L1197-Y1199 VanDerWaalsContact C-N 3.28Å; L1197-Y1199 PolarHBondContact O-N 3.25Å; L1197-C1200 WeakPolarHBondContact O-CB 3.49Å; L1197-C1200 PolarHBondContact O-N 3.2Å; L1197-I1227 HydrophobicContact CD2-CD1 3.63Å; L1197-I1227 HydrophobicContact CG-CD1 3.82Å; L1197-I1241 HydrophobicContact CD1-CG2 4.3Å; L1197-Y1246 HydrophobicContact CD1-CD1 4.19Å; L1197-Y1246 HydrophobicContact CD1-CG 4.21Å; L1197-L1250 HydrophobicContact CB-CD1 4.17Å; L1197-L1250 WeakPolarHBondContact O-CD1 3.43Å
1198E86.6Confident81.6Confident106 Ų10647.2 Ų47.250%0.49523%0.23SC..Hα-helixtrans-59.6-38.6175.3-72.5179.8-17800112.2Q1194 L1195 C1200 L1201Q1194-E1198 WeakPolarHBondContact O-CG 3.38Å; Q1194-E1198 PolarHBondContact O-N 2.84Å; L1195-E1198 WeakPolarHBondContact O-CB 3.28Å; L1195-E1198 PolarHBondContact O-N 3.43Å; E1198-C1200 PolarHBondContact O-N 2.83Å; E1198-L1201 WeakPolarHBondContact O-CB 3.22Å; E1198-L1201 PolarHBondContact O-N 2.96Å; E1198-L1201 VanDerWaalsContact O-N 3.08Å
1199Y85.2Confident80.2Confident52 Ų5251.5 Ų51.520%0.20425%0.253CS..Hα-helixtrans-65.3-15.2174.6-71.8-66.8000114.1M1000 F1008 R1009 L1195 L1196 L1197 L1201M1000-Y1199 HydrophobicContact CE-CD2 3.59Å; M1000-Y1199 HydrophobicContact CE-CE2 3.28Å; F1008-Y1199 HydrophobicContact CB-CD1 3.94Å; F1008-Y1199 HydrophobicContact CB-CG 4.17Å; F1008-Y1199 HydrophobicContact CD1-CD1 4.28Å; F1008-Y1199 AromaticContact CD1-CD2 3.93Å; F1008-Y1199 HydrophobicContact CD1-CD2 3.93Å; F1008-Y1199 HydrophobicContact CD1-CE2 4.48Å; F1008-Y1199 AromaticContact CD1-CG 3.86Å; F1008-Y1199 HydrophobicContact CD1-CG 3.86Å; F1008-Y1199 AromaticContact CD2-CD1 3.73Å; F1008-Y1199 HydrophobicContact CD2-CD1 3.73Å; F1008-Y1199 HydrophobicContact CD2-CD2 4.33Å; F1008-Y1199 AromaticContact CD2-CE1 3.57Å; F1008-Y1199 HydrophobicContact CD2-CE1 3.57Å; F1008-Y1199 HydrophobicContact CD2-CE2 4.26Å; F1008-Y1199 HydrophobicContact CD2-CG 4.12Å; F1008-Y1199 AromaticContact CD2-CZ 3.86Å; F1008-Y1199 AromaticContact CE1-CD2 3.91Å; F1008-Y1199 HydrophobicContact CE1-CD2 3.91Å; F1008-Y1199 HydrophobicContact CE1-CE2 4.16Å; F1008-Y1199 HydrophobicContact CE1-CG 4.31Å; F1008-Y1199 HydrophobicContact CE2-CD1 4.34Å; F1008-Y1199 HydrophobicContact CE2-CD2 4.3Å; F1008-Y1199 AromaticContact CE2-CE1 3.87Å; F1008-Y1199 HydrophobicContact CE2-CE1 3.87Å; F1008-Y1199 AromaticContact CE2-CE2 3.92Å; F1008-Y1199 HydrophobicContact CE2-CE2 3.92Å; F1008-Y1199 AromaticContact CE2-CZ 3.65Å; F1008-Y1199 AromaticContact CG-CD1 3.7Å; F1008-Y1199 HydrophobicContact CG-CD1 3.7Å; F1008-Y1199 HydrophobicContact CG-CD2 4.16Å; F1008-Y1199 HydrophobicContact CG-CE1 4.05Å; F1008-Y1199 AromaticContact CG-CG 3.77Å; F1008-Y1199 HydrophobicContact CG-CG 3.77Å; F1008-Y1199 HydrophobicContact CZ-CD2 4.1Å; F1008-Y1199 AromaticContact CZ-CE2 3.87Å; F1008-Y1199 HydrophobicContact CZ-CE2 3.87Å; R1009-Y1199 PolarHBondContact NH2-O 3.29Å; L1195-Y1199 HydrophobicContact CB-CE2 4.37Å; L1195-Y1199 WeakPolarHBondContact O-CD2 3.26Å; L1195-Y1199 PolarHBondContact O-N 3.1Å; L1196-Y1199 PolarHBondContact O-N 2.88Å; L1197-Y1199 VanDerWaalsContact C-N 3.28Å; L1197-Y1199 PolarHBondContact O-N 3.25Å; Y1199-L1201 VanDerWaalsContact C-N 3.28Å; Y1199-L1201 PolarHBondContact O-N 3.17Å
1200C84Confident78.2Confident2 Ų260.5 Ų60.51%0.01430%0.295CS..THydrogen-bonded Turntrans-75.7-14173.2-62.80000113.5L1196 L1197 E1198 R1220 L1250L1196-C1200 PolarHBondContact O-N 2.77Å; L1196-C1200 PolarHBondContact O-SG 2.8Å; L1196-C1200 VanDerWaalsContact O-SG 3.35Å; L1197-C1200 WeakPolarHBondContact O-CB 3.49Å; L1197-C1200 PolarHBondContact O-N 3.2Å; E1198-C1200 PolarHBondContact O-N 2.83Å; C1200-R1220 HydrophobicContact CB-CG 4.15Å; C1200-R1220 PolarHBondContact O-NE 3.36Å; C1200-R1220 VanDerWaalsContact O-NE 3.07Å; C1200-R1220 PolarHBondContact O-NH2 2.95Å; C1200-L1250 HydrophobicContact CB-CD2 3.71Å
1201L83.2Confident76.4Confident52 Ų5264 Ų6427%0.27232%0.319SS..SBendtrans-69.4141.2175.5-70.8169.8000110.6R1009 E1198 Y1199 P1247 A1249 L1250R1009-L1201 PolarHBondContact NH2-O 3.42Å; E1198-L1201 WeakPolarHBondContact O-CB 3.22Å; E1198-L1201 PolarHBondContact O-N 2.96Å; E1198-L1201 VanDerWaalsContact O-N 3.08Å; Y1199-L1201 VanDerWaalsContact C-N 3.28Å; Y1199-L1201 PolarHBondContact O-N 3.17Å; L1201-P1247 HydrophobicContact CD1-CB 4.3Å; L1201-P1247 HydrophobicContact CD1-CG 4.24Å; L1201-A1249 HydrophobicContact CD2-CB 4.06Å; L1201-L1250 HydrophobicContact CD1-CD1 4.42Å; L1201-L1250 HydrophobicContact CD2-CD1 4.22Å; L1201-L1250 HydrophobicContact CD2-CD2 3.65Å; L1201-L1250 HydrophobicContact CD2-CG 3.64Å; L1201-L1250 HydrophobicContact CG-CD1 3.99Å; L1201-L1250 HydrophobicContact CG-CD2 3.83Å; L1201-L1250 HydrophobicContact CG-CG 3.93Å
1202P77.9Confident74.5Confident35 Ų3570.9 Ų70.923%0.22735%0.349CS..PPolyproline II helixtrans-68.8141.917529.5-31.6000110.4E1206 K1207 L1216P1202-E1206 VanDerWaalsContact CA-OE2 3.31Å; P1202-E1206 WeakPolarHBondContact CA-OE2 3.2Å; P1202-E1206 HydrophobicContact CB-CB 4.32Å; P1202-K1207 HydrophobicContact CB-CG 4.17Å; P1202-K1207 HydrophobicContact CG-CG 4.01Å; P1202-L1216 HydrophobicContact CB-CD2 4.25Å
1203T71.9Confident72.9Confident54 Ų5473.4 Ų73.433%0.33136%0.362SS..PPolyproline II helixtrans-71.4160.3172.859.80000110.7D1205 E1206 K1207T1203-D1205 PolarHBondContact O-N 3.29Å; T1203-E1206 PolarHBondContact N-OE2 2.65Å; T1203-E1206 PolarHBondContact O-N 2.81Å; T1203-E1206 VanDerWaalsContact OG1-CG 3.28Å; T1203-E1206 WeakPolarHBondContact OG1-CG 3.44Å; T1203-E1206 PolarHBondContact OG1-N 3.47Å; T1203-K1207 PolarHBondContact O-N 2.97Å
1204E66.6Low71.8Confident117 Ų11776.9 Ų76.955%0.54739%0.386SS..Hα-helixtrans-58.3-30.1177.7-65.4-55.9127.700112.9K1207 K1208E1204-K1207 IonicContact OE1-NZ 3.28Å; E1204-K1207 PolarHBondContact OE1-NZ 2.65Å; E1204-K1207 IonicContact OE2-NZ 3.87Å; E1204-K1208 WeakPolarHBondContact O-CG 3.31Å; E1204-K1208 PolarHBondContact O-N 3.35Å
1205D63.6Low71Confident95 Ų9577.8 Ų77.851%0.50839%0.392SS..Hα-helixtrans-72.2-39.4175.6-59.7-36.6000112T1203 K1208 L1209T1203-D1205 PolarHBondContact O-N 3.29Å; D1205-K1208 PolarHBondContact O-N 3.32Å; D1205-L1209 PolarHBondContact O-N 2.99Å
1206E67Low70.5Confident36 Ų3676.4 Ų76.417%0.16839%0.385CS..Hα-helixtrans-69.2-35.8175.8-70.9169.5173.500112R1009 P1202 T1203 K1208 L1209 I1213R1009-E1206 IonicContact CZ-OE1 3.07Å; R1009-E1206 IonicContact CZ-OE2 2.78Å; R1009-E1206 IonicContact NE-OE1 3.16Å; R1009-E1206 IonicContact NH1-OE1 2.7Å; R1009-E1206 PolarHBondContact NH1-OE1 3.46Å; R1009-E1206 IonicContact NH1-OE2 3.84Å; R1009-E1206 PolarHBondContact NH1-OE2 3.26Å; P1202-E1206 VanDerWaalsContact CA-OE2 3.31Å; P1202-E1206 WeakPolarHBondContact CA-OE2 3.2Å; P1202-E1206 HydrophobicContact CB-CB 4.32Å; T1203-E1206 PolarHBondContact N-OE2 2.65Å; T1203-E1206 PolarHBondContact O-N 2.81Å; T1203-E1206 VanDerWaalsContact OG1-CG 3.28Å; T1203-E1206 WeakPolarHBondContact OG1-CG 3.44Å; T1203-E1206 PolarHBondContact OG1-N 3.47Å; E1206-K1208 VanDerWaalsContact C-N 3.26Å; E1206-K1208 PolarHBondContact O-N 3.2Å; E1206-L1209 PolarHBondContact O-N 3.37Å; E1206-L1209 VanDerWaalsContact O-N 3.16Å; E1206-I1213 HydrophobicContact CG-CD1 4.3Å
1207K66.2Low70.1Confident113 Ų11384.2 Ų84.249%0.49141%0.414SS..Hα-helixtrans-59.7-37.4174.5-72.6179.7-174.5169.90111.9P1202 T1203 E1204 L1209P1202-K1207 HydrophobicContact CB-CG 4.17Å; P1202-K1207 HydrophobicContact CG-CG 4.01Å; T1203-K1207 PolarHBondContact O-N 2.97Å; E1204-K1207 IonicContact OE1-NZ 3.28Å; E1204-K1207 PolarHBondContact OE1-NZ 2.65Å; E1204-K1207 IonicContact OE2-NZ 3.87Å; K1207-L1209 VanDerWaalsContact C-N 3.29Å; K1207-L1209 PolarHBondContact O-N 3.44Å
1208K61.2Low69.8Low163 Ų16386.7 Ų86.771%0.70943%0.425SS*.Hα-helixtrans-70.2-24.2177.9-70.2171.1-173.8167.90113.5E1204 D1205 E1206 E1210E1204-K1208 WeakPolarHBondContact O-CG 3.31Å; E1204-K1208 PolarHBondContact O-N 3.35Å; D1205-K1208 PolarHBondContact O-N 3.32Å; E1206-K1208 VanDerWaalsContact C-N 3.26Å; E1206-K1208 PolarHBondContact O-N 3.2Å; K1208-E1210 VanDerWaalsContact C-N 3.28Å; K1208-E1210 PolarHBondContact O-N 3.33Å
1209L60.6Low69.7Low108 Ų10881.6 Ų81.657%0.56540%0.402SS*.THydrogen-bonded Turntrans-80.7-5.5-173.9-81.3157.7000113.6D1205 E1206 K1207 S1211 I1213D1205-L1209 PolarHBondContact O-N 2.99Å; E1206-L1209 PolarHBondContact O-N 3.37Å; E1206-L1209 VanDerWaalsContact O-N 3.16Å; K1207-L1209 VanDerWaalsContact C-N 3.29Å; K1207-L1209 PolarHBondContact O-N 3.44Å; L1209-S1211 PolarHBondContact O-N 3.33Å; L1209-S1211 PolarHBondContact O-OG 3.47Å; L1209-S1211 VanDerWaalsContact O-OG 3.1Å; L1209-I1213 HydrophobicContact CB-CD1 4.45Å; L1209-I1213 HydrophobicContact CD1-CD1 4.22Å
1210E48.6Very low69.8Low190 Ų19081.9 Ų81.989%0.88840%0.402SS*.  trans43.6-6.7178.5-77.7-168.117200118.1K1208K1208-E1210 VanDerWaalsContact C-N 3.28Å; K1208-E1210 PolarHBondContact O-N 3.33Å
1211S51.9Low70Confident72 Ų7285.8 Ų85.850%0.50342%0.422SS..SBendtrans-89.2130.5176.150.10000108.1L1209 I1213L1209-S1211 PolarHBondContact O-N 3.33Å; L1209-S1211 PolarHBondContact O-OG 3.47Å; L1209-S1211 VanDerWaalsContact O-OG 3.1Å; S1211-I1213 PolarHBondContact O-N 2.92Å
1212E50.6Low70.1Confident187 Ų18784 Ų8487%0.87441%0.414SS*.  trans-62.785.5164.8-69.1-171.1162.600108.2S1214E1212-S1214 PolarHBondContact O-N 3.15Å
1213I57.5Low70.7Confident53 Ų5382.4 Ų82.427%0.27240%0.403SS..  trans-60.4116.7178.1-61.4163.9000106.4E1206 L1209 S1211 I1215 L1216E1206-I1213 HydrophobicContact CG-CD1 4.3Å; L1209-I1213 HydrophobicContact CB-CD1 4.45Å; L1209-I1213 HydrophobicContact CD1-CD1 4.22Å; S1211-I1213 PolarHBondContact O-N 2.92Å; I1213-I1215 HydrophobicContact CG2-CB 3.9Å; I1213-I1215 HydrophobicContact CG2-CD1 4.04Å; I1213-I1215 HydrophobicContact CG2-CG1 3.93Å; I1213-I1215 PolarHBondContact O-N 3.14Å; I1213-L1216 WeakPolarHBondContact O-CB 3.07Å; I1213-L1216 PolarHBondContact O-N 2.87Å
1214S67.6Low71.6Confident73 Ų7379.9 Ų79.951%0.5139%0.388SS..Hα-helixtrans-49.7-25.6-178.8174.60000113.4E1212 E1218E1212-S1214 PolarHBondContact O-N 3.15Å; S1214-E1218 PolarHBondContact O-N 3.35Å; S1214-E1218 VanDerWaalsContact O-N 3.13Å
1215I73.2Confident72.7Confident68 Ų6877.9 Ų77.935%0.34938%0.384SS..Hα-helixtrans-66.5-44.1178.7-53.6173.4000110.9P1011 I1213 R1217 E1218 I1219P1011-I1215 HydrophobicContact CG-CG2 3.83Å; I1213-I1215 HydrophobicContact CG2-CB 3.9Å; I1213-I1215 HydrophobicContact CG2-CD1 4.04Å; I1213-I1215 HydrophobicContact CG2-CG1 3.93Å; I1213-I1215 PolarHBondContact O-N 3.14Å; I1215-R1217 VanDerWaalsContact C-N 3.29Å; I1215-R1217 PolarHBondContact O-N 2.92Å; I1215-E1218 WeakPolarHBondContact O-CB 3.36Å; I1215-E1218 PolarHBondContact O-N 2.91Å; I1215-E1218 VanDerWaalsContact O-N 3.16Å; I1215-I1219 HydrophobicContact CG2-CD1 3.85Å; I1215-I1219 HydrophobicContact CG2-CG1 4.47Å; I1215-I1219 WeakPolarHBondContact O-CD1 3.28Å; I1215-I1219 VanDerWaalsContact O-CG1 3.31Å; I1215-I1219 WeakPolarHBondContact O-CG1 3.39Å; I1215-I1219 PolarHBondContact O-N 3.4Å
1216L79.4Confident73.9Confident22 Ų2274 Ų7412%0.11536%0.362CS..Hα-helixtrans-61.4-40.6178.6-175.276.7000111.1P1202 I1213 I1219 R1220P1202-L1216 HydrophobicContact CB-CD2 4.25Å; I1213-L1216 WeakPolarHBondContact O-CB 3.07Å; I1213-L1216 PolarHBondContact O-N 2.87Å; L1216-I1219 PolarHBondContact O-N 3.18Å; L1216-R1220 VanDerWaalsContact CD2-CZ 3.49Å; L1216-R1220 WeakPolarHBondContact O-CB 3.42Å; L1216-R1220 VanDerWaalsContact O-CG 3.27Å; L1216-R1220 WeakPolarHBondContact O-CG 3.31Å; L1216-R1220 PolarHBondContact O-N 3.47Å
1217R81.8Confident75Confident165 Ų16572.3 Ų72.362%0.62335%0.354SS*.Hα-helixtrans-63.7-43.3175.6-175.9173.7178.9173.2-0.3111.6I1215 R1220 I1221I1215-R1217 VanDerWaalsContact C-N 3.29Å; I1215-R1217 PolarHBondContact O-N 2.92Å; R1217-R1220 PolarHBondContact O-N 3.08Å; R1217-I1221 HydrophobicContact CG-CD1 3.93Å; R1217-I1221 VanDerWaalsContact O-CG1 3.26Å; R1217-I1221 WeakPolarHBondContact O-CG1 3.43Å; R1217-I1221 PolarHBondContact O-N 2.87Å
1218E81.4Confident76.3Confident57 Ų5769.3 Ų69.327%0.26634%0.342SS..Hα-helixtrans-62.4-41.8176.3-171.2178.7167.100112P1011 R1015 S1214 I1215 I1221 T1222P1011-E1218 HydrophobicContact CB-CG 3.99Å; P1011-E1218 WeakPolarHBondContact CB-OE1 3.47Å; P1011-E1218 HydrophobicContact CG-CB 4.41Å; P1011-E1218 HydrophobicContact CG-CG 4.17Å; R1015-E1218 IonicContact CZ-OE1 3.64Å; R1015-E1218 IonicContact NH1-OE1 3.58Å; R1015-E1218 PolarHBondContact NH1-OE1 3.07Å; R1015-E1218 IonicContact NH2-OE1 2.72Å; R1015-E1218 PolarHBondContact NH2-OE1 2.98Å; S1214-E1218 PolarHBondContact O-N 3.35Å; S1214-E1218 VanDerWaalsContact O-N 3.13Å; I1215-E1218 WeakPolarHBondContact O-CB 3.36Å; I1215-E1218 PolarHBondContact O-N 2.91Å; I1215-E1218 VanDerWaalsContact O-N 3.16Å; E1218-I1221 PolarHBondContact O-N 3.39Å; E1218-T1222 WeakPolarHBondContact O-CB 3.31Å; E1218-T1222 PolarHBondContact O-N 3.39Å; E1218-T1222 PolarHBondContact O-OG1 3.02Å
1219I84.3Confident77.6Confident0 Ų063.5 Ų63.50%032%0.322CS..Hα-helixtrans-60.5-51.7174.3-69.6158.7000110.4F1008 P1011 L1014 I1215 L1216 I1221 T1222 I1223F1008-I1219 WeakPolarHBondContact O-CD1 3.35Å; P1011-I1219 HydrophobicContact CG-CG1 4.21Å; L1014-I1219 HydrophobicContact CD2-CB 4.31Å; L1014-I1219 HydrophobicContact CD2-CG1 4.28Å; L1014-I1219 HydrophobicContact CD2-CG2 3.84Å; I1215-I1219 HydrophobicContact CG2-CD1 3.85Å; I1215-I1219 HydrophobicContact CG2-CG1 4.47Å; I1215-I1219 WeakPolarHBondContact O-CD1 3.28Å; I1215-I1219 VanDerWaalsContact O-CG1 3.31Å; I1215-I1219 WeakPolarHBondContact O-CG1 3.39Å; I1215-I1219 PolarHBondContact O-N 3.4Å; L1216-I1219 PolarHBondContact O-N 3.18Å; I1219-I1221 VanDerWaalsContact C-N 3.34Å; I1219-I1221 PolarHBondContact O-N 3.46Å; I1219-T1222 PolarHBondContact O-N 3.48Å; I1219-T1222 VanDerWaalsContact O-N 3.17Å; I1219-I1223 HydrophobicContact CG2-CD1 3.72Å; I1219-I1223 HydrophobicContact CG2-CG1 4.45Å; I1219-I1223 WeakPolarHBondContact O-CG1 3.44Å; I1219-I1223 PolarHBondContact O-N 3.03Å
1220R88.1Confident78.9Confident57 Ų5759 Ų5922%0.21530%0.298CS..Hα-helixtrans-57.2-46.5179.1-75.5171.4177.1178-1111.8C1200 L1216 R1217 C1224 I1253C1200-R1220 HydrophobicContact CB-CG 4.15Å; C1200-R1220 PolarHBondContact O-NE 3.36Å; C1200-R1220 VanDerWaalsContact O-NE 3.07Å; C1200-R1220 PolarHBondContact O-NH2 2.95Å; L1216-R1220 VanDerWaalsContact CD2-CZ 3.49Å; L1216-R1220 WeakPolarHBondContact O-CB 3.42Å; L1216-R1220 VanDerWaalsContact O-CG 3.27Å; L1216-R1220 WeakPolarHBondContact O-CG 3.31Å; L1216-R1220 PolarHBondContact O-N 3.47Å; R1217-R1220 PolarHBondContact O-N 3.08Å; R1220-C1224 WeakPolarHBondContact O-CB 3.26Å; R1220-C1224 PolarHBondContact O-N 3.32Å; R1220-C1224 PolarHBondContact O-SG 3.39Å; R1220-I1253 HydrophobicContact CB-CG2 4.32Å; R1220-I1253 HydrophobicContact CG-CG2 4.32Å
1221I87Confident80.8Confident85 Ų8550.2 Ų50.244%0.43626%0.257SS..Hα-helixtrans-60.3-49.4177.1-68.7165.9000109.7R1217 E1218 I1219 I1223 C1224 T1225R1217-I1221 HydrophobicContact CG-CD1 3.93Å; R1217-I1221 VanDerWaalsContact O-CG1 3.26Å; R1217-I1221 WeakPolarHBondContact O-CG1 3.43Å; R1217-I1221 PolarHBondContact O-N 2.87Å; E1218-I1221 PolarHBondContact O-N 3.39Å; I1219-I1221 VanDerWaalsContact C-N 3.34Å; I1219-I1221 PolarHBondContact O-N 3.46Å; I1221-I1223 PolarHBondContact O-N 3.47Å; I1221-C1224 PolarHBondContact O-N 3.26Å; I1221-T1225 HydrophobicContact CG2-CG2 4.18Å; I1221-T1225 WeakPolarHBondContact O-CB 3.4Å; I1221-T1225 VanDerWaalsContact O-CG2 3.31Å; I1221-T1225 WeakPolarHBondContact O-CG2 3.27Å; I1221-T1225 PolarHBondContact O-N 2.95Å; I1221-T1225 PolarHBondContact O-OG1 3.29Å
1222T86.5Confident82.5Confident15 Ų1552 Ų529%0.09226%0.26CS..Hα-helixtrans-59.8-45.8-177.7-55.10000111.9L1014 R1015 L1018 E1218 I1219 T1225 F1226L1014-T1222 HydrophobicContact CD2-CG2 4.42Å; R1015-T1222 HydrophobicContact CG-CG2 3.73Å; L1018-T1222 HydrophobicContact CD1-CG2 3.85Å; E1218-T1222 WeakPolarHBondContact O-CB 3.31Å; E1218-T1222 PolarHBondContact O-N 3.39Å; E1218-T1222 PolarHBondContact O-OG1 3.02Å; I1219-T1222 PolarHBondContact O-N 3.48Å; I1219-T1222 VanDerWaalsContact O-N 3.17Å; T1222-T1225 WeakPolarHBondContact CA-OG1 3.39Å; T1222-T1225 PolarHBondContact O-OG1 2.93Å; T1222-F1226 PolarHBondContact O-N 3.18Å
1223I90.2Very high84.1Confident0 Ų046.7 Ų46.70%025%0.248CC..Hα-helixtrans-66.7-46.7177.6-66.9173000110.8L1014 L1196 I1219 I1221 T1225 F1226 I1227L1014-I1223 HydrophobicContact CD1-CG1 4.42Å; L1014-I1223 HydrophobicContact CD2-CD1 4.16Å; L1014-I1223 HydrophobicContact CD2-CG1 3.93Å; L1196-I1223 HydrophobicContact CB-CG2 3.85Å; I1219-I1223 HydrophobicContact CG2-CD1 3.72Å; I1219-I1223 HydrophobicContact CG2-CG1 4.45Å; I1219-I1223 WeakPolarHBondContact O-CG1 3.44Å; I1219-I1223 PolarHBondContact O-N 3.03Å; I1221-I1223 PolarHBondContact O-N 3.47Å; I1223-T1225 VanDerWaalsContact C-N 3.34Å; I1223-T1225 PolarHBondContact O-N 3.24Å; I1223-F1226 WeakPolarHBondContact O-CB 3.4Å; I1223-F1226 PolarHBondContact O-N 2.98Å; I1223-F1226 VanDerWaalsContact O-N 3.13Å; I1223-I1227 HydrophobicContact CG2-CD1 3.67Å; I1223-I1227 HydrophobicContact CG2-CG1 4.29Å; I1223-I1227 WeakPolarHBondContact O-CG1 3.11Å; I1223-I1227 PolarHBondContact O-N 3.35Å
1224C90.4Very high85.6Confident1 Ų146.7 Ų46.71%0.00725%0.247CC..Hα-helixtrans-65.6-36.6-178.8-680000112.1R1220 I1221 F1226 I1227 H1228 A1257 I1258R1220-C1224 WeakPolarHBondContact O-CB 3.26Å; R1220-C1224 PolarHBondContact O-N 3.32Å; R1220-C1224 PolarHBondContact O-SG 3.39Å; I1221-C1224 PolarHBondContact O-N 3.26Å; C1224-F1226 VanDerWaalsContact C-N 3.28Å; C1224-F1226 PolarHBondContact O-N 2.67Å; C1224-I1227 PolarHBondContact O-N 2.92Å; C1224-H1228 VanDerWaalsContact O-CB 3.23Å; C1224-H1228 WeakPolarHBondContact O-CB 3.47Å; C1224-H1228 PolarHBondContact O-N 3.45Å; C1224-A1257 HydrophobicContact CB-CB 3.47Å; C1224-A1257 VanDerWaalsContact CB-CB 3.47Å; C1224-I1258 HydrophobicContact CB-CD1 4.39Å; C1224-I1258 HydrophobicContact CB-CG1 3.72Å
1225T88.8Confident86.6Confident76 Ų7646.1 Ų46.147%0.46624%0.241SC..Hα-helixtrans-64-35.1173.549.40000112.1I1221 T1222 I1223 H1228 S1229I1221-T1225 HydrophobicContact CG2-CG2 4.18Å; I1221-T1225 WeakPolarHBondContact O-CB 3.4Å; I1221-T1225 VanDerWaalsContact O-CG2 3.31Å; I1221-T1225 WeakPolarHBondContact O-CG2 3.27Å; I1221-T1225 PolarHBondContact O-N 2.95Å; I1221-T1225 PolarHBondContact O-OG1 3.29Å; T1222-T1225 WeakPolarHBondContact CA-OG1 3.39Å; T1222-T1225 PolarHBondContact O-OG1 2.93Å; I1223-T1225 VanDerWaalsContact C-N 3.34Å; I1223-T1225 PolarHBondContact O-N 3.24Å; T1225-H1228 WeakPolarHBondContact O-CB 3.09Å; T1225-S1229 PolarHBondContact O-N 3.26Å; T1225-S1229 VanDerWaalsContact O-N 3.11Å
1226F89.6Confident87.4Confident13 Ų1345.9 Ų45.96%0.05724%0.243CC..Hα-helixtrans-70.8-44.1175-179.4-104.8000111.9L1018 L1021 E1022 L1196 T1222 I1223 C1224 H1228 S1229 L1230L1018-F1226 HydrophobicContact CB-CD2 4.36Å; L1018-F1226 HydrophobicContact CD1-CB 4.09Å; L1018-F1226 HydrophobicContact CD1-CG 4.3Å; L1018-F1226 HydrophobicContact CD2-CD1 3.8Å; L1018-F1226 HydrophobicContact CD2-CE1 4.05Å; L1018-F1226 HydrophobicContact CD2-CG 4.12Å; L1021-F1226 HydrophobicContact CD2-CE1 4.09Å; L1021-F1226 HydrophobicContact CD2-CZ 4.37Å; E1022-F1226 HydrophobicContact CB-CE2 3.74Å; E1022-F1226 HydrophobicContact CB-CZ 4.1Å; E1022-F1226 HydrophobicContact CG-CE2 3.81Å; E1022-F1226 HydrophobicContact CG-CZ 4.31Å; L1196-F1226 HydrophobicContact CD1-CD1 3.85Å; L1196-F1226 HydrophobicContact CD1-CE1 3.92Å; T1222-F1226 PolarHBondContact O-N 3.18Å; I1223-F1226 WeakPolarHBondContact O-CB 3.4Å; I1223-F1226 PolarHBondContact O-N 2.98Å; I1223-F1226 VanDerWaalsContact O-N 3.13Å; C1224-F1226 VanDerWaalsContact C-N 3.28Å; C1224-F1226 PolarHBondContact O-N 2.67Å; F1226-H1228 VanDerWaalsContact C-N 3.25Å; F1226-H1228 PolarHBondContact O-N 3.34Å; F1226-S1229 PolarHBondContact O-N 2.83Å; F1226-S1229 PolarHBondContact O-OG 3Å; F1226-L1230 HydrophobicContact CD1-CD1 4.09Å; F1226-L1230 HydrophobicContact CE1-CD1 3.59Å; F1226-L1230 HydrophobicContact CE1-CG 4.27Å; F1226-L1230 HydrophobicContact CZ-CD1 4.02Å; F1226-L1230 HydrophobicContact CZ-CD2 4.45Å; F1226-L1230 HydrophobicContact CZ-CG 4.33Å; F1226-L1230 WeakPolarHBondContact O-CG 3.44Å; F1226-L1230 PolarHBondContact O-N 3Å; F1226-L1230 VanDerWaalsContact O-N 3.11Å
1227I90.8Very high87.8Confident0 Ų044.8 Ų44.80%024%0.237CC..Hα-helixtrans-62.3-38.3174.4-64.4167.1000110.5I1193 L1196 L1197 I1223 C1224 S1229 L1230 F1231 I1258I1193-I1227 HydrophobicContact CD1-CG2 4.44Å; I1193-I1227 HydrophobicContact CG1-CG1 4.42Å; I1193-I1227 HydrophobicContact CG2-CD1 3.98Å; I1193-I1227 HydrophobicContact CG2-CG1 4.02Å; I1193-I1227 HydrophobicContact CG2-CG2 3.87Å; L1196-I1227 HydrophobicContact CB-CD1 4.46Å; L1197-I1227 HydrophobicContact CD2-CD1 3.63Å; L1197-I1227 HydrophobicContact CG-CD1 3.82Å; I1223-I1227 HydrophobicContact CG2-CD1 3.67Å; I1223-I1227 HydrophobicContact CG2-CG1 4.29Å; I1223-I1227 WeakPolarHBondContact O-CG1 3.11Å; I1223-I1227 PolarHBondContact O-N 3.35Å; C1224-I1227 PolarHBondContact O-N 2.92Å; I1227-S1229 PolarHBondContact O-N 3.24Å; I1227-L1230 PolarHBondContact O-N 3.41Å; I1227-F1231 HydrophobicContact CG2-CD1 4.19Å; I1227-F1231 HydrophobicContact CG2-CD2 4.15Å; I1227-F1231 HydrophobicContact CG2-CE1 3.73Å; I1227-F1231 HydrophobicContact CG2-CE2 3.69Å; I1227-F1231 HydrophobicContact CG2-CG 4.38Å; I1227-F1231 HydrophobicContact CG2-CZ 3.46Å; I1227-F1231 VanDerWaalsContact CG2-CZ 3.46Å; I1227-F1231 WeakPolarHBondContact O-CG 2.94Å; I1227-F1231 PolarHBondContact O-N 3.35Å; I1227-I1258 HydrophobicContact CB-CD1 4.14Å; I1227-I1258 HydrophobicContact CD1-CD1 4.44Å; I1227-I1258 HydrophobicContact CG2-CD1 3.8Å
1228H91.6Very high88.2Confident51 Ų5137 Ų3724%0.23621%0.208CC..Hα-helixtrans-59.9-45175.8179.355.9000112.2C1224 T1225 F1226 L1230 F1231 I1232 I1258 S1260C1224-H1228 VanDerWaalsContact O-CB 3.23Å; C1224-H1228 WeakPolarHBondContact O-CB 3.47Å; C1224-H1228 PolarHBondContact O-N 3.45Å; T1225-H1228 WeakPolarHBondContact O-CB 3.09Å; F1226-H1228 VanDerWaalsContact C-N 3.25Å; F1226-H1228 PolarHBondContact O-N 3.34Å; H1228-L1230 VanDerWaalsContact C-N 3.33Å; H1228-L1230 PolarHBondContact O-N 3.04Å; H1228-F1231 PolarHBondContact O-N 3.03Å; H1228-I1232 WeakPolarHBondContact NE2-CD1 3.32Å; H1228-I1232 WeakPolarHBondContact O-CG1 3.46Å; H1228-I1232 PolarHBondContact O-N 2.93Å; H1228-I1258 HydrophobicContact CB-CG2 4.19Å; H1228-S1260 PolarHBondContact CE1-N 2.94Å; H1228-S1260 VanDerWaalsContact ND1-CB 3.32Å; H1228-S1260 WeakPolarHBondContact ND1-CB 3.25Å; H1228-S1260 PolarHBondContact ND1-N 3.14Å; H1228-S1260 PolarHBondContact ND1-OG 3.42Å
1229S88.5Confident88.6Confident40 Ų4037.6 Ų37.628%0.2821%0.211SC..Hα-helixtrans-64.8-37.2176.566.60000112.2T1225 F1226 I1227 I1232 A1233T1225-S1229 PolarHBondContact O-N 3.26Å; T1225-S1229 VanDerWaalsContact O-N 3.11Å; F1226-S1229 PolarHBondContact O-N 2.83Å; F1226-S1229 PolarHBondContact O-OG 3Å; I1227-S1229 PolarHBondContact O-N 3.24Å; S1229-I1232 PolarHBondContact O-N 3.1Å; S1229-A1233 WeakPolarHBondContact O-CB 3.4Å; S1229-A1233 PolarHBondContact O-N 3.33Å
1230L88.5Confident88.8Confident13 Ų1339.6 Ų39.67%0.06822%0.221CC..Hα-helixtrans-63.9-41.4173.8-67.7179.3000112.4I1193 F1226 I1227 H1228 A1233 Q1234 L1237I1193-L1230 HydrophobicContact CD1-CB 4.28Å; I1193-L1230 HydrophobicContact CD1-CD1 3.9Å; I1193-L1230 HydrophobicContact CG1-CD1 3.97Å; F1226-L1230 HydrophobicContact CD1-CD1 4.09Å; F1226-L1230 HydrophobicContact CE1-CD1 3.59Å; F1226-L1230 HydrophobicContact CE1-CG 4.27Å; F1226-L1230 HydrophobicContact CZ-CD1 4.02Å; F1226-L1230 HydrophobicContact CZ-CD2 4.45Å; F1226-L1230 HydrophobicContact CZ-CG 4.33Å; F1226-L1230 WeakPolarHBondContact O-CG 3.44Å; F1226-L1230 PolarHBondContact O-N 3Å; F1226-L1230 VanDerWaalsContact O-N 3.11Å; I1227-L1230 PolarHBondContact O-N 3.41Å; H1228-L1230 VanDerWaalsContact C-N 3.33Å; H1228-L1230 PolarHBondContact O-N 3.04Å; L1230-A1233 PolarHBondContact O-N 3.08Å; L1230-Q1234 PolarHBondContact O-N 2.91Å; L1230-L1237 HydrophobicContact CB-CD2 4.25Å
1231F89.7Confident88.9Confident6 Ų637 Ų373%0.02621%0.212CC..Hα-helixtrans-66.7-35.1176.5-72.1-3.3000112.9I1193 I1227 H1228 Q1234 P1235 L1237 A1238 I1241 I1258 S1260 L1261I1193-F1231 HydrophobicContact CD1-CD1 4.36Å; I1193-F1231 HydrophobicContact CD1-CE1 3.78Å; I1227-F1231 HydrophobicContact CG2-CD1 4.19Å; I1227-F1231 HydrophobicContact CG2-CD2 4.15Å; I1227-F1231 HydrophobicContact CG2-CE1 3.73Å; I1227-F1231 HydrophobicContact CG2-CE2 3.69Å; I1227-F1231 HydrophobicContact CG2-CG 4.38Å; I1227-F1231 HydrophobicContact CG2-CZ 3.46Å; I1227-F1231 VanDerWaalsContact CG2-CZ 3.46Å; I1227-F1231 WeakPolarHBondContact O-CG 2.94Å; I1227-F1231 PolarHBondContact O-N 3.35Å; H1228-F1231 PolarHBondContact O-N 3.03Å; F1231-Q1234 CarbonylContact O-C 3.2Å; F1231-Q1234 VanDerWaalsContact O-C 3.29Å; F1231-P1235 WeakPolarHBondContact O-CA 3.08Å; F1231-L1237 HydrophobicContact CD1-CB 4.49Å; F1231-L1237 HydrophobicContact CD1-CG 4.41Å; F1231-L1237 HydrophobicContact CE1-CG 4.27Å; F1231-A1238 HydrophobicContact CB-CB 4.42Å; F1231-A1238 HydrophobicContact CD1-CB 3.81Å; F1231-A1238 HydrophobicContact CD2-CB 3.78Å; F1231-A1238 HydrophobicContact CE1-CB 3.91Å; F1231-A1238 HydrophobicContact CE2-CB 3.89Å; F1231-A1238 HydrophobicContact CG-CB 3.75Å; F1231-A1238 HydrophobicContact CZ-CB 3.95Å; F1231-I1241 HydrophobicContact CE1-CD1 3.39Å; F1231-I1241 HydrophobicContact CZ-CD1 3.61Å; F1231-I1258 HydrophobicContact CD2-CG2 3.69Å; F1231-I1258 HydrophobicContact CE2-CG2 3.89Å; F1231-S1260 VanDerWaalsContact CB-OG 3.3Å; F1231-S1260 WeakPolarHBondContact CB-OG 3.33Å; F1231-L1261 HydrophobicContact CE2-CD1 4.16Å
1232I87.3Confident89Confident111 Ų11133 Ų3357%0.56919%0.191SC*.Hα-helixtrans-66.6-43.4173.6-68.9166000110.4H1228 S1229 Q1234H1228-I1232 WeakPolarHBondContact NE2-CD1 3.32Å; H1228-I1232 WeakPolarHBondContact O-CG1 3.46Å; H1228-I1232 PolarHBondContact O-N 2.93Å; S1229-I1232 PolarHBondContact O-N 3.1Å; I1232-Q1234 VanDerWaalsContact C-N 3.31Å; I1232-Q1234 PolarHBondContact O-N 3.33Å
1233A84.7Confident89.2Confident75 Ų7536.9 Ų36.962%0.6220%0.204SC*.Hα-helixtrans-65.7-3517900000112.1S1229 L1230S1229-A1233 WeakPolarHBondContact O-CB 3.4Å; S1229-A1233 PolarHBondContact O-N 3.33Å; L1230-A1233 PolarHBondContact O-N 3.08Å
1234Q88.2Confident89.1Confident53 Ų5340 Ų4025%0.24822%0.218CC..  trans-146.495.6-178.7-167.5163.91300112.1R1029 L1186 L1230 F1231 I1232 V1236 L1237R1029-Q1234 VanDerWaalsContact NH2-OE1 3.12Å; L1186-Q1234 VanDerWaalsContact CD2-CD 3.49Å; L1186-Q1234 HydrophobicContact CD2-CG 4.2Å; L1230-Q1234 PolarHBondContact O-N 2.91Å; F1231-Q1234 CarbonylContact O-C 3.2Å; F1231-Q1234 VanDerWaalsContact O-C 3.29Å; I1232-Q1234 VanDerWaalsContact C-N 3.31Å; I1232-Q1234 PolarHBondContact O-N 3.33Å; Q1234-V1236 VanDerWaalsContact C-N 3.31Å; Q1234-V1236 PolarHBondContact O-N 2.87Å; Q1234-L1237 WeakPolarHBondContact O-CB 3.23Å; Q1234-L1237 PolarHBondContact O-N 3.4Å; Q1234-L1237 VanDerWaalsContact O-N 3.16Å
1235P88.6Confident89Confident61 Ų6141.7 Ų41.740%0.39623%0.229SC..Hα-helixtrans-66.5-30-174.524.1-33.7000113.7F1231 L1237 A1238 I1263F1231-P1235 WeakPolarHBondContact O-CA 3.08Å; P1235-L1237 PolarHBondContact O-N 3.41Å; P1235-L1237 VanDerWaalsContact O-N 3.12Å; P1235-A1238 WeakPolarHBondContact O-CB 3.22Å; P1235-A1238 PolarHBondContact O-N 3.33Å; P1235-I1263 HydrophobicContact CB-CG2 4.45Å
1236V89.6Confident89Confident62 Ų6239 Ų3938%0.37621%0.211SC..Hα-helixtrans-56.7-29.7176.2-177.80000111.8L1186 Q1234 A1238 E1239 I1240L1186-V1236 HydrophobicContact CD1-CG1 4.4Å; Q1234-V1236 VanDerWaalsContact C-N 3.31Å; Q1234-V1236 PolarHBondContact O-N 2.87Å; V1236-A1238 VanDerWaalsContact C-N 3.29Å; V1236-A1238 PolarHBondContact O-N 3.48Å; V1236-E1239 WeakPolarHBondContact O-CB 3.28Å; V1236-E1239 PolarHBondContact O-N 3.25Å; V1236-I1240 HydrophobicContact CG1-CD1 4.17Å; V1236-I1240 WeakPolarHBondContact O-CG1 2.94Å; V1236-I1240 PolarHBondContact O-N 3.08Å; V1236-I1240 VanDerWaalsContact O-N 3.1Å
1237L88.9Confident88.9Confident0 Ų040.9 Ų40.90%022%0.224CC..Hα-helixtrans-62.9-38.7178.4-17456.1000111.9D1189 I1193 L1230 F1231 Q1234 P1235 E1239 I1240 I1241D1189-L1237 HydrophobicContact CB-CD1 3.79Å; D1189-L1237 HydrophobicContact CB-CD2 3.9Å; I1193-L1237 HydrophobicContact CD1-CD1 4.27Å; I1193-L1237 HydrophobicContact CD1-CD2 3.31Å; I1193-L1237 HydrophobicContact CD1-CG 3.7Å; L1230-L1237 HydrophobicContact CB-CD2 4.25Å; F1231-L1237 HydrophobicContact CD1-CB 4.49Å; F1231-L1237 HydrophobicContact CD1-CG 4.41Å; F1231-L1237 HydrophobicContact CE1-CG 4.27Å; Q1234-L1237 WeakPolarHBondContact O-CB 3.23Å; Q1234-L1237 PolarHBondContact O-N 3.4Å; Q1234-L1237 VanDerWaalsContact O-N 3.16Å; P1235-L1237 PolarHBondContact O-N 3.41Å; P1235-L1237 VanDerWaalsContact O-N 3.12Å; L1237-E1239 VanDerWaalsContact C-N 3.3Å; L1237-E1239 PolarHBondContact O-N 3.49Å; L1237-I1240 PolarHBondContact O-N 3.12Å; L1237-I1241 HydrophobicContact CD1-CD1 4.36Å; L1237-I1241 HydrophobicContact CG-CD1 4.12Å; L1237-I1241 WeakPolarHBondContact O-CD1 3.25Å; L1237-I1241 WeakPolarHBondContact O-CG1 3.49Å; L1237-I1241 PolarHBondContact O-N 2.94Å; L1237-I1241 VanDerWaalsContact O-N 3.12Å
1238A88.6Confident88.6Confident2 Ų244.9 Ų44.92%0.01724%0.239CC..Hα-helixtrans-67-34.8178.400000111.1F1231 P1235 V1236 V1242 C1264F1231-A1238 HydrophobicContact CB-CB 4.42Å; F1231-A1238 HydrophobicContact CD1-CB 3.81Å; F1231-A1238 HydrophobicContact CD2-CB 3.78Å; F1231-A1238 HydrophobicContact CE1-CB 3.91Å; F1231-A1238 HydrophobicContact CE2-CB 3.89Å; F1231-A1238 HydrophobicContact CG-CB 3.75Å; F1231-A1238 HydrophobicContact CZ-CB 3.95Å; P1235-A1238 WeakPolarHBondContact O-CB 3.22Å; P1235-A1238 PolarHBondContact O-N 3.33Å; V1236-A1238 VanDerWaalsContact C-N 3.29Å; V1236-A1238 PolarHBondContact O-N 3.48Å; A1238-V1242 WeakPolarHBondContact O-CG2 3.26Å; A1238-V1242 PolarHBondContact O-N 3.48Å; A1238-C1264 WeakPolarHBondContact CB-SG 3.26Å; A1238-C1264 PolarHBondContact O-SG 2.84Å
1239E90.4Very high88.2Confident68 Ų6845.8 Ų45.832%0.31826%0.255SS..Hα-helixtrans-64.1-46.8173.6-55-178.9178.600111.4V1236 L1237 I1241 V1242 W1243 T1267V1236-E1239 WeakPolarHBondContact O-CB 3.28Å; V1236-E1239 PolarHBondContact O-N 3.25Å; L1237-E1239 VanDerWaalsContact C-N 3.3Å; L1237-E1239 PolarHBondContact O-N 3.49Å; E1239-I1241 VanDerWaalsContact C-N 3.31Å; E1239-I1241 PolarHBondContact O-N 3.36Å; E1239-V1242 PolarHBondContact O-N 2.93Å; E1239-W1243 VanDerWaalsContact O-CD1 3.27Å; E1239-W1243 PolarHBondContact O-N 3.35Å; E1239-T1267 HydrophobicContact CB-CG2 3.8Å; E1239-T1267 HydrophobicContact CG-CG2 3.42Å; E1239-T1267 VanDerWaalsContact CG-CG2 3.42Å
1240I89.6Confident88.1Confident43 Ų4344 Ų4422%0.22124%0.243CC..Hα-helixtrans-59.5-42.5179.8-67.1167.8000111.2L1186 V1236 L1237 V1242 W1243 Q1244L1186-I1240 HydrophobicContact CB-CD1 3.92Å; L1186-I1240 HydrophobicContact CD1-CD1 4.07Å; L1186-I1240 HydrophobicContact CD2-CD1 3.95Å; L1186-I1240 HydrophobicContact CG-CD1 4.22Å; V1236-I1240 HydrophobicContact CG1-CD1 4.17Å; V1236-I1240 WeakPolarHBondContact O-CG1 2.94Å; V1236-I1240 PolarHBondContact O-N 3.08Å; V1236-I1240 VanDerWaalsContact O-N 3.1Å; L1237-I1240 PolarHBondContact O-N 3.12Å; I1240-V1242 PolarHBondContact O-N 3.01Å; I1240-W1243 WeakPolarHBondContact O-CB 3.27Å; I1240-W1243 PolarHBondContact O-N 2.98Å; I1240-Q1244 HydrophobicContact CG2-CG 4.38Å; I1240-Q1244 WeakPolarHBondContact O-CG 3.41Å; I1240-Q1244 PolarHBondContact O-N 2.96Å
1241I89.5Confident88.1Confident3 Ų343.4 Ų43.42%0.01524%0.24CC..Hα-helixtrans-67.4-37.7-179.7-69.8154.7000111.6I1193 L1197 F1231 L1237 E1239 W1243 Q1244 T1245 Y1246I1193-I1241 HydrophobicContact CB-CD1 3.74Å; I1193-I1241 HydrophobicContact CD1-CD1 3.68Å; I1193-I1241 HydrophobicContact CG1-CD1 4.32Å; I1193-I1241 HydrophobicContact CG2-CD1 3.41Å; I1193-I1241 VanDerWaalsContact CG2-CD1 3.41Å; I1193-I1241 HydrophobicContact CG2-CG1 4.31Å; L1197-I1241 HydrophobicContact CD1-CG2 4.3Å; F1231-I1241 HydrophobicContact CE1-CD1 3.39Å; F1231-I1241 HydrophobicContact CZ-CD1 3.61Å; L1237-I1241 HydrophobicContact CD1-CD1 4.36Å; L1237-I1241 HydrophobicContact CG-CD1 4.12Å; L1237-I1241 WeakPolarHBondContact O-CD1 3.25Å; L1237-I1241 WeakPolarHBondContact O-CG1 3.49Å; L1237-I1241 PolarHBondContact O-N 2.94Å; L1237-I1241 VanDerWaalsContact O-N 3.12Å; E1239-I1241 VanDerWaalsContact C-N 3.31Å; E1239-I1241 PolarHBondContact O-N 3.36Å; I1241-W1243 VanDerWaalsContact C-N 3.3Å; I1241-W1243 PolarHBondContact O-N 3.46Å; I1241-Q1244 PolarHBondContact O-N 3.14Å; I1241-T1245 PolarHBondContact O-N 3.11Å; I1241-Y1246 HydrophobicContact CG2-CD1 3.96Å; I1241-Y1246 HydrophobicContact CG2-CE1 4.27Å
1242V89.2Confident87.9Confident0 Ų045.6 Ų45.60%025%0.254CS..Hα-helixtrans-63.4-39.6173.7173.90000110.6A1238 E1239 I1240 T1245 L1261 C1264 V1268 V1271 F1283 L1287A1238-V1242 WeakPolarHBondContact O-CG2 3.26Å; A1238-V1242 PolarHBondContact O-N 3.48Å; E1239-V1242 PolarHBondContact O-N 2.93Å; I1240-V1242 PolarHBondContact O-N 3.01Å; V1242-T1245 PolarHBondContact O-N 2.71Å; V1242-L1261 HydrophobicContact CG2-CD1 4.42Å; V1242-C1264 HydrophobicContact CG2-CB 3.96Å; V1242-V1268 HydrophobicContact CG1-CB 4.43Å; V1242-V1268 HydrophobicContact CG1-CG2 3.59Å; V1242-V1268 HydrophobicContact CG2-CG2 4.45Å; V1242-V1271 HydrophobicContact CG1-CG2 4.17Å; V1242-F1283 HydrophobicContact CG1-CE1 4.44Å; V1242-L1287 HydrophobicContact CG1-CD2 4.4Å; V1242-L1287 HydrophobicContact CG2-CD2 4.13Å
1243W89.5Confident87.8Confident96 Ų9641.7 Ų41.736%0.36423%0.234SC..Hα-helixtrans-64-37.7174.1-88102.2000113.9E1239 I1240 I1241 T1245 D1270 V1271 M1274E1239-W1243 VanDerWaalsContact O-CD1 3.27Å; E1239-W1243 PolarHBondContact O-N 3.35Å; I1240-W1243 WeakPolarHBondContact O-CB 3.27Å; I1240-W1243 PolarHBondContact O-N 2.98Å; I1241-W1243 VanDerWaalsContact C-N 3.3Å; I1241-W1243 PolarHBondContact O-N 3.46Å; W1243-T1245 VanDerWaalsContact C-N 3.33Å; W1243-D1270 HydrophobicContact CZ2-CB 4.22Å; W1243-V1271 HydrophobicContact CB-CG2 4.44Å; W1243-V1271 HydrophobicContact CD2-CB 4.46Å; W1243-V1271 HydrophobicContact CD2-CG2 3.35Å; W1243-V1271 HydrophobicContact CE3-CB 4.45Å; W1243-V1271 HydrophobicContact CE3-CG1 4.38Å; W1243-V1271 HydrophobicContact CE3-CG2 3.77Å; W1243-V1271 HydrophobicContact CG-CG2 3.67Å; W1243-V1271 HydrophobicContact CH2-CG2 4.23Å; W1243-V1271 HydrophobicContact CZ2-CG2 3.84Å; W1243-V1271 HydrophobicContact CZ3-CG2 4.18Å; W1243-M1274 HydrophobicContact CH2-CB 3.99Å
1244Q89.1Confident87.8Confident65 Ų6538.2 Ų38.230%0.30421%0.206SC..Hα-helixtrans-77.7-19.7177.3-66.2170.3-17.400112.7S1190 Q1194 I1240 I1241S1190-Q1244 PolarHBondContact OG-NE2 2.89Å; S1190-Q1244 VanDerWaalsContact OG-NE2 3.13Å; Q1194-Q1244 VanDerWaalsContact NE2-OE1 3.09Å; I1240-Q1244 HydrophobicContact CG2-CG 4.38Å; I1240-Q1244 WeakPolarHBondContact O-CG 3.41Å; I1240-Q1244 PolarHBondContact O-N 2.96Å; I1241-Q1244 PolarHBondContact O-N 3.14Å
1245T87.9Confident87.7Confident38 Ų3835.7 Ų35.723%0.23319%0.194CC..  trans60.5166.4-173.6720000113.7I1241 V1242 W1243 K1280 F1283I1241-T1245 PolarHBondContact O-N 3.11Å; V1242-T1245 PolarHBondContact O-N 2.71Å; W1243-T1245 VanDerWaalsContact C-N 3.33Å; T1245-K1280 HydrophobicContact CG2-CB 4.45Å; T1245-K1280 HydrophobicContact CG2-CD 4.42Å; T1245-K1280 HydrophobicContact CG2-CG 3.95Å; T1245-F1283 HydrophobicContact CG2-CB 4.48Å; T1245-F1283 HydrophobicContact CG2-CD1 3.66Å; T1245-F1283 HydrophobicContact CG2-CE1 4.01Å; T1245-F1283 HydrophobicContact CG2-CG 4.01Å
1246Y89.3Confident87.5Confident19 Ų1939 Ų398%0.07520%0.204CC..  trans-149.4164.717555.7-95.5000110.5L1197 I1241 R1248 L1250 I1251 S1254 F1283L1197-Y1246 HydrophobicContact CD1-CD1 4.19Å; L1197-Y1246 HydrophobicContact CD1-CG 4.21Å; I1241-Y1246 HydrophobicContact CG2-CD1 3.96Å; I1241-Y1246 HydrophobicContact CG2-CE1 4.27Å; Y1246-R1248 PolarHBondContact O-N 3.24Å; Y1246-L1250 HydrophobicContact CD2-CB 4.01Å; Y1246-L1250 HydrophobicContact CE2-CB 4.2Å; Y1246-I1251 HydrophobicContact CE2-CG1 3.89Å; Y1246-S1254 WeakPolarHBondContact OH-CB 3.33Å; Y1246-S1254 PolarHBondContact OH-OG 2.93Å; Y1246-F1283 HydrophobicContact CD1-CE2 4.08Å; Y1246-F1283 AromaticContact CD1-CZ 3.77Å; Y1246-F1283 HydrophobicContact CD1-CZ 3.77Å; Y1246-F1283 HydrophobicContact CD2-CE2 4.18Å; Y1246-F1283 HydrophobicContact CE1-CE2 4.09Å; Y1246-F1283 AromaticContact CE1-CZ 3.59Å; Y1246-F1283 HydrophobicContact CE1-CZ 3.59Å; Y1246-F1283 HydrophobicContact CE2-CE2 4.21Å; Y1246-F1283 HydrophobicContact CE2-CZ 4.47Å; Y1246-F1283 HydrophobicContact CG-CE2 4.12Å; Y1246-F1283 HydrophobicContact CG-CZ 4.29Å; Y1246-F1283 AromaticContact CZ-CZ 3.97Å; Y1246-F1283 WeakPolarHBondContact O-CE2 3.24Å
1247P87.3Confident87.3Confident52 Ų5237.4 Ų37.434%0.33820%0.197SC..  trans-52.3128.8-174.9-29.735.8000113.5L1201 A1249 L1250L1201-P1247 HydrophobicContact CD1-CB 4.3Å; L1201-P1247 HydrophobicContact CD1-CG 4.24Å; P1247-A1249 PolarHBondContact O-N 3.41Å; P1247-A1249 VanDerWaalsContact O-N 3.08Å; P1247-L1250 HydrophobicContact CB-CD1 4.28Å; P1247-L1250 HydrophobicContact CG-CD1 4.35Å; P1247-L1250 WeakPolarHBondContact O-CB 3.31Å; P1247-L1250 PolarHBondContact O-N 3.49Å
1248R85.1Confident87.4Confident85 Ų8537.6 Ų37.632%0.32120%0.198SC..G310 helixtrans-56.1-30.7-174.6-68.4177.163.1179.92.7114.2Y1246 L1250 I1251 D1286 E1330Y1246-R1248 PolarHBondContact O-N 3.24Å; R1248-L1250 PolarHBondContact O-N 3.1Å; R1248-I1251 HydrophobicContact CB-CD1 4.16Å; R1248-I1251 HydrophobicContact CG-CD1 4.17Å; R1248-I1251 WeakPolarHBondContact O-CB 3.46Å; R1248-I1251 WeakPolarHBondContact O-CG1 3.39Å; R1248-I1251 PolarHBondContact O-N 3.13Å; R1248-I1251 VanDerWaalsContact O-N 3.14Å; R1248-D1286 IonicContact CZ-OD2 3.97Å; R1248-D1286 IonicContact NE-OD2 4Å; R1248-D1286 PolarHBondContact NE-OD2 3.39Å; R1248-D1286 IonicContact NH2-OD2 2.72Å; R1248-D1286 PolarHBondContact NH2-OD2 2.86Å; R1248-E1330 IonicContact NH1-OE2 3.07Å; R1248-E1330 PolarHBondContact NH1-OE2 2.87Å
1249A82.7Confident87.2Confident70 Ų7039.9 Ų39.958%0.57921%0.213SC*.G310 helixtrans-61.6-21.9176.600000113.7L1201 P1247L1201-A1249 HydrophobicContact CD2-CB 4.06Å; P1247-A1249 PolarHBondContact O-N 3.41Å; P1247-A1249 VanDerWaalsContact O-N 3.08Å
1250L86.5Confident87Confident3 Ų337 Ų372%0.01620%0.2CC..G310 helixtrans-88.7-15.9178.6-65.2170.3000113.5L1197 C1200 L1201 Y1246 P1247 R1248 I1253 S1254L1197-L1250 HydrophobicContact CB-CD1 4.17Å; L1197-L1250 WeakPolarHBondContact O-CD1 3.43Å; C1200-L1250 HydrophobicContact CB-CD2 3.71Å; L1201-L1250 HydrophobicContact CD1-CD1 4.42Å; L1201-L1250 HydrophobicContact CD2-CD1 4.22Å; L1201-L1250 HydrophobicContact CD2-CD2 3.65Å; L1201-L1250 HydrophobicContact CD2-CG 3.64Å; L1201-L1250 HydrophobicContact CG-CD1 3.99Å; L1201-L1250 HydrophobicContact CG-CD2 3.83Å; L1201-L1250 HydrophobicContact CG-CG 3.93Å; Y1246-L1250 HydrophobicContact CD2-CB 4.01Å; Y1246-L1250 HydrophobicContact CE2-CB 4.2Å; P1247-L1250 HydrophobicContact CB-CD1 4.28Å; P1247-L1250 HydrophobicContact CG-CD1 4.35Å; P1247-L1250 WeakPolarHBondContact O-CB 3.31Å; P1247-L1250 PolarHBondContact O-N 3.49Å; R1248-L1250 PolarHBondContact O-N 3.1Å; L1250-I1253 HydrophobicContact CD2-CD1 4.17Å; L1250-I1253 PolarHBondContact O-N 3.35Å; L1250-I1253 VanDerWaalsContact O-N 3.14Å; L1250-S1254 WeakPolarHBondContact O-CB 3.23Å; L1250-S1254 PolarHBondContact O-N 3.15Å; L1250-S1254 PolarHBondContact O-OG 3Å
1251I88.3Confident87Confident0 Ų035.1 Ų35.10%019%0.19CC..Hα-helixtrans-52-53.4-179.5-63.2174.6000112.4Y1246 R1248 I1253 S1254 A1255 F1283 D1286 L1287 H1290Y1246-I1251 HydrophobicContact CE2-CG1 3.89Å; R1248-I1251 HydrophobicContact CB-CD1 4.16Å; R1248-I1251 HydrophobicContact CG-CD1 4.17Å; R1248-I1251 WeakPolarHBondContact O-CB 3.46Å; R1248-I1251 WeakPolarHBondContact O-CG1 3.39Å; R1248-I1251 PolarHBondContact O-N 3.13Å; R1248-I1251 VanDerWaalsContact O-N 3.14Å; I1251-I1253 PolarHBondContact O-N 3.33Å; I1251-S1254 WeakPolarHBondContact CA-OG 3.45Å; I1251-S1254 PolarHBondContact O-N 3.36Å; I1251-S1254 PolarHBondContact O-OG 3.33Å; I1251-A1255 WeakPolarHBondContact O-CB 3.19Å; I1251-A1255 PolarHBondContact O-N 2.83Å; I1251-F1283 HydrophobicContact CD1-CD2 3.73Å; I1251-F1283 HydrophobicContact CD1-CE2 3.83Å; I1251-F1283 HydrophobicContact CG1-CD2 4.39Å; I1251-F1283 HydrophobicContact CG1-CE2 4Å; I1251-D1286 HydrophobicContact CD1-CB 3.92Å; I1251-L1287 HydrophobicContact CG2-CB 4.35Å; I1251-L1287 HydrophobicContact CG2-CD1 3.98Å; I1251-H1290 HydrophobicContact CG2-CB 4.05Å; I1251-H1290 VanDerWaalsContact CG2-ND1 3.29Å; I1251-H1290 WeakPolarHBondContact CG2-ND1 3.29Å
1252P85.8Confident86.8Confident51 Ų5138.6 Ų38.633%0.33121%0.206SC..Hα-helixtrans-58.2-39-179.820-32.6000112.5Q1256P1252-Q1256 WeakPolarHBondContact O-CB 3.46Å; P1252-Q1256 PolarHBondContact O-N 3.24Å
1253I84.6Confident86.7Confident30 Ų3042.6 Ų42.615%0.15423%0.227CC..Hα-helixtrans-67.8-48.3179.3-59.8159.7000109.9R1220 L1250 I1251 Q1256 A1257R1220-I1253 HydrophobicContact CB-CG2 4.32Å; R1220-I1253 HydrophobicContact CG-CG2 4.32Å; L1250-I1253 HydrophobicContact CD2-CD1 4.17Å; L1250-I1253 PolarHBondContact O-N 3.35Å; L1250-I1253 VanDerWaalsContact O-N 3.14Å; I1251-I1253 PolarHBondContact O-N 3.33Å; I1253-Q1256 PolarHBondContact O-N 3.31Å; I1253-A1257 WeakPolarHBondContact O-CB 3.18Å; I1253-A1257 PolarHBondContact O-N 3.02Å
1254S85.5Confident86.5Confident2 Ų238.1 Ų38.11%0.01421%0.21CC..Hα-helixtrans-63-42.1-179.4630000112.5Y1246 L1250 I1251 Q1256 I1258Y1246-S1254 WeakPolarHBondContact OH-CB 3.33Å; Y1246-S1254 PolarHBondContact OH-OG 2.93Å; L1250-S1254 WeakPolarHBondContact O-CB 3.23Å; L1250-S1254 PolarHBondContact O-N 3.15Å; L1250-S1254 PolarHBondContact O-OG 3Å; I1251-S1254 WeakPolarHBondContact CA-OG 3.45Å; I1251-S1254 PolarHBondContact O-N 3.36Å; I1251-S1254 PolarHBondContact O-OG 3.33Å; S1254-Q1256 VanDerWaalsContact C-N 3.32Å; S1254-Q1256 PolarHBondContact O-N 3.07Å; S1254-I1258 VanDerWaalsContact O-CB 3.29Å; S1254-I1258 WeakPolarHBondContact O-CB 3.36Å; S1254-I1258 PolarHBondContact O-N 3.05Å
1255A86Confident86.4Confident0 Ų035.6 Ų35.60%020%0.199CC..Hα-helixtrans-65.5-35.417900000112.3I1251 H1290 L1291I1251-A1255 WeakPolarHBondContact O-CB 3.19Å; I1251-A1255 PolarHBondContact O-N 2.83Å; A1255-H1290 HydrophobicContact CB-CB 3.84Å; A1255-L1291 HydrophobicContact CB-CD2 3.95Å; A1255-L1291 HydrophobicContact CB-CG 4.44Å
1256Q85.4Confident86.3Confident131 Ų13137.9 Ų37.961%0.61221%0.21SC*.Hα-helixtrans-81.2-42.1179.1-172179.112.300112.9P1252 I1253 S1254P1252-Q1256 WeakPolarHBondContact O-CB 3.46Å; P1252-Q1256 PolarHBondContact O-N 3.24Å; I1253-Q1256 PolarHBondContact O-N 3.31Å; S1254-Q1256 VanDerWaalsContact C-N 3.32Å; S1254-Q1256 PolarHBondContact O-N 3.07Å
1257A85.2Confident86.2Confident28 Ų2837.6 Ų37.623%0.23121%0.21CC..Hα-helixtrans-93.9-15-169.600000114.1C1224 I1253 P1259C1224-A1257 HydrophobicContact CB-CB 3.47Å; C1224-A1257 VanDerWaalsContact CB-CB 3.47Å; I1253-A1257 WeakPolarHBondContact O-CB 3.18Å; I1253-A1257 PolarHBondContact O-N 3.02Å; A1257-P1259 WeakPolarHBondContact O-CD 3.3Å
1258I89.3Confident86.3Confident3 Ų335.1 Ų35.12%0.01519%0.194CC..  trans-11789179-52172.4000109.3C1224 I1227 H1228 F1231 S1254 S1260 L1261C1224-I1258 HydrophobicContact CB-CD1 4.39Å; C1224-I1258 HydrophobicContact CB-CG1 3.72Å; I1227-I1258 HydrophobicContact CB-CD1 4.14Å; I1227-I1258 HydrophobicContact CD1-CD1 4.44Å; I1227-I1258 HydrophobicContact CG2-CD1 3.8Å; H1228-I1258 HydrophobicContact CB-CG2 4.19Å; F1231-I1258 HydrophobicContact CD2-CG2 3.69Å; F1231-I1258 HydrophobicContact CE2-CG2 3.89Å; S1254-I1258 VanDerWaalsContact O-CB 3.29Å; S1254-I1258 WeakPolarHBondContact O-CB 3.36Å; S1254-I1258 PolarHBondContact O-N 3.05Å; I1258-S1260 VanDerWaalsContact C-N 3.3Å; I1258-S1260 PolarHBondContact O-N 3.4Å; I1258-L1261 HydrophobicContact CB-CB 4.44Å; I1258-L1261 HydrophobicContact CG2-CB 4.24Å; I1258-L1261 WeakPolarHBondContact O-CB 3.3Å; I1258-L1261 PolarHBondContact O-N 3.49Å
1259P85.1Confident86.5Confident51 Ų5132.1 Ų32.133%0.33118%0.184SC..G310 helixtrans-61.3-36.1-177.6-26.335.2000114.1A1257 L1261 H1262 Y1295A1257-P1259 WeakPolarHBondContact O-CD 3.3Å; P1259-L1261 PolarHBondContact O-N 3.38Å; P1259-L1261 VanDerWaalsContact O-N 3.09Å; P1259-H1262 PolarHBondContact O-ND1 3.4Å; P1259-Y1295 WeakPolarHBondContact CA-OH 3.13Å; P1259-Y1295 WeakPolarHBondContact CB-OH 3.23Å
1260S87.3Confident86.8Confident6 Ų632.4 Ų32.44%0.04218%0.176CC..G310 helixtrans-64.8-11.6-179.2520000114.5H1228 F1231 I1258 H1262 I1263H1228-S1260 PolarHBondContact CE1-N 2.94Å; H1228-S1260 VanDerWaalsContact ND1-CB 3.32Å; H1228-S1260 WeakPolarHBondContact ND1-CB 3.25Å; H1228-S1260 PolarHBondContact ND1-N 3.14Å; H1228-S1260 PolarHBondContact ND1-OG 3.42Å; F1231-S1260 VanDerWaalsContact CB-OG 3.3Å; F1231-S1260 WeakPolarHBondContact CB-OG 3.33Å; I1258-S1260 VanDerWaalsContact C-N 3.3Å; I1258-S1260 PolarHBondContact O-N 3.4Å; S1260-H1262 PolarHBondContact O-N 2.72Å; S1260-H1262 VanDerWaalsContact O-N 3.16Å; S1260-I1263 WeakPolarHBondContact O-CB 3.42Å; S1260-I1263 WeakPolarHBondContact O-CG1 3.45Å; S1260-I1263 PolarHBondContact O-N 2.91Å; S1260-I1263 VanDerWaalsContact O-N 3.16Å
1261L88.3Confident86.8Confident5 Ų532.3 Ų32.33%0.02618%0.175CC..G310 helixtrans-63.5-21.1-179.1-171.259.5000113.2F1231 V1242 I1258 P1259 I1263 C1264 L1287 L1291F1231-L1261 HydrophobicContact CE2-CD1 4.16Å; V1242-L1261 HydrophobicContact CG2-CD1 4.42Å; I1258-L1261 HydrophobicContact CB-CB 4.44Å; I1258-L1261 HydrophobicContact CG2-CB 4.24Å; I1258-L1261 WeakPolarHBondContact O-CB 3.3Å; I1258-L1261 PolarHBondContact O-N 3.49Å; P1259-L1261 PolarHBondContact O-N 3.38Å; P1259-L1261 VanDerWaalsContact O-N 3.09Å; L1261-I1263 PolarHBondContact O-N 3.3Å; L1261-I1263 VanDerWaalsContact O-N 3.17Å; L1261-C1264 PolarHBondContact O-N 3.4Å; L1261-C1264 VanDerWaalsContact O-N 3.16Å; L1261-L1287 HydrophobicContact CD2-CD1 3.93Å; L1261-L1291 HydrophobicContact CB-CD2 4.49Å; L1261-L1291 HydrophobicContact CD2-CD2 4.39Å; L1261-L1291 HydrophobicContact CG-CD2 4.42Å
1262H86.3Confident86.8Confident75 Ų7532.3 Ų32.335%0.34718%0.175SC..G310 helixtrans-63.6-17.217674.9-88.8000113.7P1259 S1260 C1264 L1265 Y1295P1259-H1262 PolarHBondContact O-ND1 3.4Å; S1260-H1262 PolarHBondContact O-N 2.72Å; S1260-H1262 VanDerWaalsContact O-N 3.16Å; H1262-C1264 PolarHBondContact O-N 2.67Å; H1262-L1265 VanDerWaalsContact O-CD1 3.31Å; H1262-L1265 WeakPolarHBondContact O-CD1 3.38Å; H1262-L1265 VanDerWaalsContact O-CG 3.22Å; H1262-L1265 WeakPolarHBondContact O-CG 3.44Å; H1262-L1265 PolarHBondContact O-N 2.94Å; H1262-Y1295 HydrophobicContact CB-CD2 4.47Å
1263I86Confident86.8Confident85 Ų8536 Ų3644%0.43618%0.183SC..G310 helixtrans-65.6-26.8176.7-61.6169.2000110.7P1235 S1260 L1261 L1265P1235-I1263 HydrophobicContact CB-CG2 4.45Å; S1260-I1263 WeakPolarHBondContact O-CB 3.42Å; S1260-I1263 WeakPolarHBondContact O-CG1 3.45Å; S1260-I1263 PolarHBondContact O-N 2.91Å; S1260-I1263 VanDerWaalsContact O-N 3.16Å; L1261-I1263 PolarHBondContact O-N 3.3Å; L1261-I1263 VanDerWaalsContact O-N 3.17Å; I1263-L1265 VanDerWaalsContact C-N 3.27Å; I1263-L1265 PolarHBondContact O-N 3.26Å
1264C85.4Confident86.7Confident1 Ų140.7 Ų40.71%0.00721%0.205CC..G310 helixtrans-80.36-177.6-59.70000114.8A1238 V1242 L1261 H1262 D1266 T1267 V1268A1238-C1264 WeakPolarHBondContact CB-SG 3.26Å; A1238-C1264 PolarHBondContact O-SG 2.84Å; V1242-C1264 HydrophobicContact CG2-CB 3.96Å; L1261-C1264 PolarHBondContact O-N 3.4Å; L1261-C1264 VanDerWaalsContact O-N 3.16Å; H1262-C1264 PolarHBondContact O-N 2.67Å; C1264-D1266 PolarHBondContact O-N 3.49Å; C1264-T1267 WeakPolarHBondContact CA-OG1 3.28Å; C1264-T1267 WeakPolarHBondContact CB-OG1 3.49Å; C1264-T1267 PolarHBondContact O-N 3.43Å; C1264-T1267 VanDerWaalsContact O-N 3.09Å; C1264-T1267 PolarHBondContact O-OG1 3.28Å; C1264-V1268 HydrophobicContact CB-CG2 4.5Å; C1264-V1268 VanDerWaalsContact O-CG2 3.25Å; C1264-V1268 WeakPolarHBondContact O-CG2 3.43Å; C1264-V1268 PolarHBondContact O-N 2.98Å
1265L86.5Confident86.4Confident13 Ų1341.9 Ų41.97%0.06821%0.214CC..Hα-helixtrans-59.5-35-174.2-73166.5000113.5H1262 I1263 I1269 V1288 L1291 T1300H1262-L1265 VanDerWaalsContact O-CD1 3.31Å; H1262-L1265 WeakPolarHBondContact O-CD1 3.38Å; H1262-L1265 VanDerWaalsContact O-CG 3.22Å; H1262-L1265 WeakPolarHBondContact O-CG 3.44Å; H1262-L1265 PolarHBondContact O-N 2.94Å; I1263-L1265 VanDerWaalsContact C-N 3.27Å; I1263-L1265 PolarHBondContact O-N 3.26Å; L1265-I1269 PolarHBondContact O-N 3.49Å; L1265-V1288 HydrophobicContact CD2-CG2 4.16Å; L1265-L1291 HydrophobicContact CD2-CD1 3.96Å; L1265-T1300 HydrophobicContact CD1-CG2 3.28Å; L1265-T1300 HydrophobicContact CD2-CG2 3.81Å; L1265-T1300 HydrophobicContact CG-CG2 4.18Å
1266D87.5Confident86.2Confident86 Ų8645 Ų4546%0.4625%0.245SC..Hα-helixtrans-71.1-41.2176.7-67.9-28.7000110.9C1264 V1268 I1269 D1270 R1303C1264-D1266 PolarHBondContact O-N 3.49Å; D1266-V1268 VanDerWaalsContact C-N 3.34Å; D1266-V1268 PolarHBondContact O-N 2.87Å; D1266-I1269 WeakPolarHBondContact O-CB 3.35Å; D1266-I1269 PolarHBondContact O-N 2.72Å; D1266-I1269 VanDerWaalsContact O-N 3.16Å; D1266-D1270 PolarHBondContact O-N 2.62Å; D1266-R1303 IonicContact OD1-CZ 2.7Å; D1266-R1303 VanDerWaalsContact OD1-CZ 3.28Å; D1266-R1303 IonicContact OD1-NE 2.6Å; D1266-R1303 PolarHBondContact OD1-NE 3.03Å; D1266-R1303 IonicContact OD1-NH2 2.64Å; D1266-R1303 PolarHBondContact OD1-NH2 2.95Å; D1266-R1303 IonicContact OD2-NH2 3.32Å
1267T86.9Confident86.1Confident12 Ų1242 Ų427%0.07423%0.234CC..Hα-helixtrans-69.9-30177.558.30000113.2E1239 C1264 I1269 D1270 V1271E1239-T1267 HydrophobicContact CB-CG2 3.8Å; E1239-T1267 HydrophobicContact CG-CG2 3.42Å; E1239-T1267 VanDerWaalsContact CG-CG2 3.42Å; C1264-T1267 WeakPolarHBondContact CA-OG1 3.28Å; C1264-T1267 WeakPolarHBondContact CB-OG1 3.49Å; C1264-T1267 PolarHBondContact O-N 3.43Å; C1264-T1267 VanDerWaalsContact O-N 3.09Å; C1264-T1267 PolarHBondContact O-OG1 3.28Å; T1267-I1269 VanDerWaalsContact C-N 3.26Å; T1267-I1269 PolarHBondContact O-N 3.47Å; T1267-D1270 PolarHBondContact O-N 2.93Å; T1267-D1270 VanDerWaalsContact O-N 3.17Å; T1267-V1271 WeakPolarHBondContact O-CG2 3.34Å; T1267-V1271 PolarHBondContact O-N 3.36Å
1268V88.6Confident86.2Confident1 Ų143.8 Ų43.81%0.00624%0.235CC..Hα-helixtrans-61-37.4171.9177.60000111.2V1242 C1264 D1266 F1272 C1284 L1287 V1288V1242-V1268 HydrophobicContact CG1-CB 4.43Å; V1242-V1268 HydrophobicContact CG1-CG2 3.59Å; V1242-V1268 HydrophobicContact CG2-CG2 4.45Å; C1264-V1268 HydrophobicContact CB-CG2 4.5Å; C1264-V1268 VanDerWaalsContact O-CG2 3.25Å; C1264-V1268 WeakPolarHBondContact O-CG2 3.43Å; C1264-V1268 PolarHBondContact O-N 2.98Å; D1266-V1268 VanDerWaalsContact C-N 3.34Å; D1266-V1268 PolarHBondContact O-N 2.87Å; V1268-F1272 VanDerWaalsContact O-CB 3.29Å; V1268-F1272 WeakPolarHBondContact O-CB 3.22Å; V1268-F1272 PolarHBondContact O-N 3.18Å; V1268-C1284 HydrophobicContact CG1-CB 3.55Å; V1268-L1287 HydrophobicContact CG2-CD2 3.85Å; V1268-V1288 HydrophobicContact CB-CG2 4.21Å; V1268-V1288 HydrophobicContact CG1-CG2 3.55Å
1269I89.5Confident86Confident21 Ų2146.8 Ų46.811%0.10826%0.256CS..Hα-helixtrans-66.4-44.2173.9-67.4170.3000111L1265 D1266 T1267 V1271 F1272 R1273 R1303 F1306L1265-I1269 PolarHBondContact O-N 3.49Å; D1266-I1269 WeakPolarHBondContact O-CB 3.35Å; D1266-I1269 PolarHBondContact O-N 2.72Å; D1266-I1269 VanDerWaalsContact O-N 3.16Å; T1267-I1269 VanDerWaalsContact C-N 3.26Å; T1267-I1269 PolarHBondContact O-N 3.47Å; I1269-V1271 VanDerWaalsContact C-N 3.29Å; I1269-V1271 PolarHBondContact O-N 3.4Å; I1269-F1272 WeakPolarHBondContact O-CB 3.26Å; I1269-F1272 PolarHBondContact O-N 3Å; I1269-F1272 VanDerWaalsContact O-N 3.14Å; I1269-R1273 HydrophobicContact CG2-CG 4.09Å; I1269-R1273 WeakPolarHBondContact O-CG 3Å; I1269-R1273 PolarHBondContact O-N 3.23Å; I1269-R1303 HydrophobicContact CD1-CB 3.66Å; I1269-R1303 HydrophobicContact CD1-CG 3.09Å; I1269-R1303 HydrophobicContact CG1-CB 4.27Å; I1269-R1303 HydrophobicContact CG1-CG 4.07Å; I1269-F1306 HydrophobicContact CD1-CD1 4.29Å; I1269-F1306 HydrophobicContact CG1-CD1 4.38Å; I1269-F1306 HydrophobicContact CG2-CD1 3.72Å; I1269-F1306 HydrophobicContact CG2-CE1 3.45Å; I1269-F1306 VanDerWaalsContact CG2-CE1 3.45Å; I1269-F1306 HydrophobicContact CG2-CZ 4.42Å
1270D88.3Confident86.2Confident77 Ų7747.1 Ų47.141%0.41225%0.252SS..Hα-helixtrans-61.2-42.8-179.6-69.2-25.1000110.9W1243 D1266 T1267 R1273 M1274W1243-D1270 HydrophobicContact CZ2-CB 4.22Å; D1266-D1270 PolarHBondContact O-N 2.62Å; T1267-D1270 PolarHBondContact O-N 2.93Å; T1267-D1270 VanDerWaalsContact O-N 3.17Å; D1270-R1273 PolarHBondContact O-N 3.05Å; D1270-M1274 WeakPolarHBondContact O-CB 3.49Å; D1270-M1274 WeakPolarHBondContact O-CG 3.21Å; D1270-M1274 PolarHBondContact O-N 3.18Å
1271V87.6Confident86.3Confident0 Ų047.2 Ų47.20%025%0.252CS..Hα-helixtrans-61.2-46.2173.1179.50000110.5V1242 W1243 T1267 I1269 R1273 S1275 K1280 C1284V1242-V1271 HydrophobicContact CG1-CG2 4.17Å; W1243-V1271 HydrophobicContact CB-CG2 4.44Å; W1243-V1271 HydrophobicContact CD2-CB 4.46Å; W1243-V1271 HydrophobicContact CD2-CG2 3.35Å; W1243-V1271 HydrophobicContact CE3-CB 4.45Å; W1243-V1271 HydrophobicContact CE3-CG1 4.38Å; W1243-V1271 HydrophobicContact CE3-CG2 3.77Å; W1243-V1271 HydrophobicContact CG-CG2 3.67Å; W1243-V1271 HydrophobicContact CH2-CG2 4.23Å; W1243-V1271 HydrophobicContact CZ2-CG2 3.84Å; W1243-V1271 HydrophobicContact CZ3-CG2 4.18Å; T1267-V1271 WeakPolarHBondContact O-CG2 3.34Å; T1267-V1271 PolarHBondContact O-N 3.36Å; I1269-V1271 VanDerWaalsContact C-N 3.29Å; I1269-V1271 PolarHBondContact O-N 3.4Å; V1271-R1273 VanDerWaalsContact C-N 3.28Å; V1271-R1273 PolarHBondContact O-N 3.45Å; V1271-S1275 WeakPolarHBondContact O-CB 3.3Å; V1271-S1275 PolarHBondContact O-N 3.19Å; V1271-S1275 PolarHBondContact O-OG 2.99Å; V1271-K1280 HydrophobicContact CG1-CB 4.45Å; V1271-C1284 WeakPolarHBondContact CG1-SG 3.37Å
1272F88Confident86.4Confident1 Ų147 Ų470%0.00425%0.251CS..Hα-helixtrans-58.6-39.2178.6-177.1-89.1000112.2V1268 I1269 M1281 C1284 M1307 L1311 F1314V1268-F1272 VanDerWaalsContact O-CB 3.29Å; V1268-F1272 WeakPolarHBondContact O-CB 3.22Å; V1268-F1272 PolarHBondContact O-N 3.18Å; I1269-F1272 WeakPolarHBondContact O-CB 3.26Å; I1269-F1272 PolarHBondContact O-N 3Å; I1269-F1272 VanDerWaalsContact O-N 3.14Å; F1272-M1281 HydrophobicContact CD2-CB 3.98Å; F1272-M1281 HydrophobicContact CD2-CG 4.22Å; F1272-M1281 HydrophobicContact CE2-CB 3.89Å; F1272-M1281 HydrophobicContact CE2-CG 4.3Å; F1272-M1281 WeakPolarHBondContact O-CE 3.31Å; F1272-C1284 HydrophobicContact CB-CB 4.12Å; F1272-C1284 HydrophobicContact CD2-CB 4.1Å; F1272-M1307 HydrophobicContact CD1-CG 4.26Å; F1272-M1307 HydrophobicContact CD2-CG 4.44Å; F1272-M1307 HydrophobicContact CD2-SD 4.38Å; F1272-M1307 HydrophobicContact CG-CG 4.21Å; F1272-M1307 HydrophobicContact CG-SD 4.47Å; F1272-L1311 HydrophobicContact CZ-CB 4.2Å; F1272-F1314 HydrophobicContact CD1-CE2 4.42Å; F1272-F1314 HydrophobicContact CE1-CD2 4.05Å; F1272-F1314 AromaticContact CE1-CE2 3.81Å; F1272-F1314 HydrophobicContact CE1-CE2 3.81Å; F1272-F1314 HydrophobicContact CZ-CD2 4.34Å; F1272-F1314 HydrophobicContact CZ-CE2 4.49Å
1273R84.8Confident86.6Confident129 Ų12943.7 Ų43.749%0.48724%0.236SC..Hα-helixtrans-82.4-42-178.3-66.8177.371.8-176.9-1.5113.7I1269 D1270 V1271 F1306I1269-R1273 HydrophobicContact CG2-CG 4.09Å; I1269-R1273 WeakPolarHBondContact O-CG 3Å; I1269-R1273 PolarHBondContact O-N 3.23Å; D1270-R1273 PolarHBondContact O-N 3.05Å; V1271-R1273 VanDerWaalsContact C-N 3.28Å; V1271-R1273 PolarHBondContact O-N 3.45Å; R1273-F1306 HydrophobicContact CG-CE1 4Å; R1273-F1306 HydrophobicContact CG-CZ 4.29Å
1274M83.5Confident86.9Confident127 Ų12739.7 Ų39.763%0.62622%0.215SC*.Hα-helixtrans-99-16.8-165.1-60.9-69.797.300113.5W1243 D1270 G1276W1243-M1274 HydrophobicContact CH2-CB 3.99Å; D1270-M1274 WeakPolarHBondContact O-CB 3.49Å; D1270-M1274 WeakPolarHBondContact O-CG 3.21Å; D1270-M1274 PolarHBondContact O-N 3.18Å; M1274-G1276 VanDerWaalsContact C-N 3.33Å; M1274-G1276 PolarHBondContact O-N 3.07Å
1275S79.9Confident87.2Confident28 Ų2839.6 Ų39.620%0.19622%0.215CC..  trans-65.6-31.9-174.955.40000114.3V1271 D1277V1271-S1275 WeakPolarHBondContact O-CB 3.3Å; V1271-S1275 PolarHBondContact O-N 3.19Å; V1271-S1275 PolarHBondContact O-OG 2.99Å; S1275-D1277 PolarHBondContact O-N 3.42Å
1276G80.4Confident87.4Confident64 Ų6439.3 Ų39.366%0.6621%0.213SC*.  trans65.6-1.7-175.400000115M1274M1274-G1276 VanDerWaalsContact C-N 3.33Å; M1274-G1276 PolarHBondContact O-N 3.07Å
1277D84.7Confident87.7Confident70 Ų7035.2 Ų35.237%0.37419%0.191SC..  trans-108.2120.1-177-176-13.6000109.5S1275 S1279 K1280 M1281S1275-D1277 PolarHBondContact O-N 3.42Å; D1277-S1279 PolarHBondContact O-N 3.4Å; D1277-S1279 WeakPolarHBondContact OD1-CB 3.27Å; D1277-S1279 PolarHBondContact OD1-N 3.22Å; D1277-S1279 PolarHBondContact OD1-OG 3.42Å; D1277-S1279 PolarHBondContact OD2-OG 3.02Å; D1277-S1279 VanDerWaalsContact OD2-OG 3.1Å; D1277-K1280 HydrophobicContact CB-CB 4.41Å; D1277-K1280 HydrophobicContact CB-CD 4.27Å; D1277-K1280 HydrophobicContact CB-CG 4.15Å; D1277-K1280 PolarHBondContact O-N 2.92Å; D1277-K1280 VanDerWaalsContact O-N 3.16Å; D1277-M1281 PolarHBondContact O-N 2.98Å; D1277-M1281 VanDerWaalsContact O-N 3.12Å
1278Y85.9Confident87.9Confident64 Ų6434.7 Ų34.725%0.25119%0.188SC..Hα-helixtrans-59.4-33.7-178.8-60.7-45.2000112.7K1280 M1281 V1282 V1319 E1323 L1327Y1278-K1280 VanDerWaalsContact C-N 3.3Å; Y1278-K1280 PolarHBondContact O-N 2.91Å; Y1278-M1281 HydrophobicContact CD1-SD 4.12Å; Y1278-M1281 PolarHBondContact O-N 3.25Å; Y1278-V1282 VanDerWaalsContact O-CG2 3.31Å; Y1278-V1282 WeakPolarHBondContact O-CG2 3.49Å; Y1278-V1282 PolarHBondContact O-N 3Å; Y1278-V1319 HydrophobicContact CE1-CG2 3.72Å; Y1278-E1323 WeakPolarHBondContact CE2-OE2 3.19Å; Y1278-L1327 HydrophobicContact CD1-CD2 3.68Å; Y1278-L1327 HydrophobicContact CE1-CD2 4.05Å; Y1278-L1327 HydrophobicContact CG-CD1 4.43Å; Y1278-L1327 HydrophobicContact CG-CD2 4.17Å
1279S86.1Confident88Confident66 Ų6634.6 Ų34.646%0.46219%0.188SC..Hα-helixtrans-62.9-39.417968.10000111.8D1277 F1283D1277-S1279 PolarHBondContact O-N 3.4Å; D1277-S1279 WeakPolarHBondContact OD1-CB 3.27Å; D1277-S1279 PolarHBondContact OD1-N 3.22Å; D1277-S1279 PolarHBondContact OD1-OG 3.42Å; D1277-S1279 PolarHBondContact OD2-OG 3.02Å; D1277-S1279 VanDerWaalsContact OD2-OG 3.1Å; S1279-F1283 WeakPolarHBondContact O-CB 3.13Å; S1279-F1283 PolarHBondContact O-N 3.21Å
1280K88.5Confident88Confident59 Ų5934.7 Ų34.726%0.25719%0.188SC..Hα-helixtrans-71.5-38.4176.2-62.9-172.3177.4-174.60111.8T1245 V1271 D1277 Y1278 F1283 C1284T1245-K1280 HydrophobicContact CG2-CB 4.45Å; T1245-K1280 HydrophobicContact CG2-CD 4.42Å; T1245-K1280 HydrophobicContact CG2-CG 3.95Å; V1271-K1280 HydrophobicContact CG1-CB 4.45Å; D1277-K1280 HydrophobicContact CB-CB 4.41Å; D1277-K1280 HydrophobicContact CB-CD 4.27Å; D1277-K1280 HydrophobicContact CB-CG 4.15Å; D1277-K1280 PolarHBondContact O-N 2.92Å; D1277-K1280 VanDerWaalsContact O-N 3.16Å; Y1278-K1280 VanDerWaalsContact C-N 3.3Å; Y1278-K1280 PolarHBondContact O-N 2.91Å; K1280-F1283 PolarHBondContact O-N 2.94Å; K1280-C1284 WeakPolarHBondContact O-CB 3.33Å; K1280-C1284 PolarHBondContact O-N 3.33Å; K1280-C1284 PolarHBondContact O-SG 3.08Å
1281M89.3Confident88.1Confident7 Ų731.1 Ų31.13%0.03417%0.168CC..Hα-helixtrans-59.9-46.2173.9-69.1-177.618000111.4F1272 D1277 Y1278 C1284 L1285 F1314F1272-M1281 HydrophobicContact CD2-CB 3.98Å; F1272-M1281 HydrophobicContact CD2-CG 4.22Å; F1272-M1281 HydrophobicContact CE2-CB 3.89Å; F1272-M1281 HydrophobicContact CE2-CG 4.3Å; F1272-M1281 WeakPolarHBondContact O-CE 3.31Å; D1277-M1281 PolarHBondContact O-N 2.98Å; D1277-M1281 VanDerWaalsContact O-N 3.12Å; Y1278-M1281 HydrophobicContact CD1-SD 4.12Å; Y1278-M1281 PolarHBondContact O-N 3.25Å; M1281-C1284 PolarHBondContact O-N 2.8Å; M1281-L1285 PolarHBondContact O-N 3.5Å; M1281-F1314 HydrophobicContact CE-CD1 4.37Å; M1281-F1314 HydrophobicContact CE-CD2 4.41Å; M1281-F1314 HydrophobicContact CE-CE1 3.99Å; M1281-F1314 HydrophobicContact CE-CE2 4.02Å; M1281-F1314 HydrophobicContact CE-CZ 3.8Å; M1281-F1314 HydrophobicContact SD-CD2 4.41Å; M1281-F1314 HydrophobicContact SD-CE2 4.48Å
1282V90.1Very high88.2Confident1 Ų131.1 Ų31.11%0.00617%0.168CC..Hα-helixtrans-62.1-46176.3174.50000110.5Y1278 C1284 L1285 D1286 L1327 E1330Y1278-V1282 VanDerWaalsContact O-CG2 3.31Å; Y1278-V1282 WeakPolarHBondContact O-CG2 3.49Å; Y1278-V1282 PolarHBondContact O-N 3Å; V1282-C1284 VanDerWaalsContact C-N 3.34Å; V1282-C1284 PolarHBondContact O-N 3.34Å; V1282-L1285 PolarHBondContact O-N 3.18Å; V1282-D1286 VanDerWaalsContact O-CB 3.26Å; V1282-D1286 WeakPolarHBondContact O-CB 3.48Å; V1282-D1286 PolarHBondContact O-N 3.41Å; V1282-L1327 HydrophobicContact CG2-CD1 3.55Å; V1282-E1330 HydrophobicContact CG1-CB 3.87Å; V1282-E1330 HydrophobicContact CG2-CB 3.88Å
1283F92.1Very high88.1Confident6 Ų635.2 Ų35.23%0.02619%0.187CC..Hα-helixtrans-55.5-46.5175.2169.4-92.5000112.2V1242 T1245 Y1246 I1251 S1279 K1280 D1286 L1287V1242-F1283 HydrophobicContact CG1-CE1 4.44Å; T1245-F1283 HydrophobicContact CG2-CB 4.48Å; T1245-F1283 HydrophobicContact CG2-CD1 3.66Å; T1245-F1283 HydrophobicContact CG2-CE1 4.01Å; T1245-F1283 HydrophobicContact CG2-CG 4.01Å; Y1246-F1283 HydrophobicContact CD1-CE2 4.08Å; Y1246-F1283 AromaticContact CD1-CZ 3.77Å; Y1246-F1283 HydrophobicContact CD1-CZ 3.77Å; Y1246-F1283 HydrophobicContact CD2-CE2 4.18Å; Y1246-F1283 HydrophobicContact CE1-CE2 4.09Å; Y1246-F1283 AromaticContact CE1-CZ 3.59Å; Y1246-F1283 HydrophobicContact CE1-CZ 3.59Å; Y1246-F1283 HydrophobicContact CE2-CE2 4.21Å; Y1246-F1283 HydrophobicContact CE2-CZ 4.47Å; Y1246-F1283 HydrophobicContact CG-CE2 4.12Å; Y1246-F1283 HydrophobicContact CG-CZ 4.29Å; Y1246-F1283 AromaticContact CZ-CZ 3.97Å; Y1246-F1283 WeakPolarHBondContact O-CE2 3.24Å; I1251-F1283 HydrophobicContact CD1-CD2 3.73Å; I1251-F1283 HydrophobicContact CD1-CE2 3.83Å; I1251-F1283 HydrophobicContact CG1-CD2 4.39Å; I1251-F1283 HydrophobicContact CG1-CE2 4Å; S1279-F1283 WeakPolarHBondContact O-CB 3.13Å; S1279-F1283 PolarHBondContact O-N 3.21Å; K1280-F1283 PolarHBondContact O-N 2.94Å; F1283-D1286 PolarHBondContact O-N 3.03Å; F1283-L1287 HydrophobicContact CE1-CD2 4.15Å; F1283-L1287 HydrophobicContact CZ-CD2 4.28Å; F1283-L1287 WeakPolarHBondContact O-CB 3.44Å; F1283-L1287 PolarHBondContact O-N 3.12Å
1284C92Very high88.1Confident0 Ų033.1 Ų33.10%018%0.183CC..Hα-helixtrans-62-45.5179.1-69.90000112.2V1268 V1271 F1272 K1280 M1281 V1282 D1286 L1287 V1288V1268-C1284 HydrophobicContact CG1-CB 3.55Å; V1271-C1284 WeakPolarHBondContact CG1-SG 3.37Å; F1272-C1284 HydrophobicContact CB-CB 4.12Å; F1272-C1284 HydrophobicContact CD2-CB 4.1Å; K1280-C1284 WeakPolarHBondContact O-CB 3.33Å; K1280-C1284 PolarHBondContact O-N 3.33Å; K1280-C1284 PolarHBondContact O-SG 3.08Å; M1281-C1284 PolarHBondContact O-N 2.8Å; V1282-C1284 VanDerWaalsContact C-N 3.34Å; V1282-C1284 PolarHBondContact O-N 3.34Å; C1284-D1286 VanDerWaalsContact C-N 3.32Å; C1284-D1286 PolarHBondContact O-N 3.13Å; C1284-L1287 PolarHBondContact O-N 3.14Å; C1284-V1288 WeakPolarHBondContact O-CG2 3.3Å; C1284-V1288 PolarHBondContact O-N 2.87Å
1285L91.3Very high88.1Confident0 Ų029.6 Ų29.60%016%0.163CC..Hα-helixtrans-62.8-41.9176.7-170.471.3000111.1M1281 V1282 S1289 M1307 L1311 C1331 P1334 L1335 L1338M1281-L1285 PolarHBondContact O-N 3.5Å; V1282-L1285 PolarHBondContact O-N 3.18Å; L1285-S1289 VanDerWaalsContact O-CB 3.25Å; L1285-S1289 WeakPolarHBondContact O-CB 3.28Å; L1285-S1289 PolarHBondContact O-N 3.41Å; L1285-S1289 PolarHBondContact O-OG 3.12Å; L1285-M1307 HydrophobicContact CD1-CB 4.37Å; L1285-L1311 HydrophobicContact CD2-CD2 4.05Å; L1285-C1331 HydrophobicContact CD2-CB 3.66Å; L1285-P1334 HydrophobicContact CB-CB 4.41Å; L1285-P1334 HydrophobicContact CD2-CB 3.85Å; L1285-P1334 HydrophobicContact CD2-CG 4.47Å; L1285-P1334 HydrophobicContact CG-CB 3.73Å; L1285-L1335 HydrophobicContact CD2-CD2 4.49Å; L1285-L1335 HydrophobicContact CD2-CG 4.37Å; L1285-L1338 HydrophobicContact CD1-CD1 3.74Å
1286D91.4Very high88.1Confident6 Ų634.4 Ų34.43%0.03219%0.187CC..Hα-helixtrans-64.7-42.5177.8-155.3-0.7000111.5R1248 I1251 V1282 F1283 C1284 S1289 H1290 P1334 R1337R1248-D1286 IonicContact CZ-OD2 3.97Å; R1248-D1286 IonicContact NE-OD2 4Å; R1248-D1286 PolarHBondContact NE-OD2 3.39Å; R1248-D1286 IonicContact NH2-OD2 2.72Å; R1248-D1286 PolarHBondContact NH2-OD2 2.86Å; I1251-D1286 HydrophobicContact CD1-CB 3.92Å; V1282-D1286 VanDerWaalsContact O-CB 3.26Å; V1282-D1286 WeakPolarHBondContact O-CB 3.48Å; V1282-D1286 PolarHBondContact O-N 3.41Å; F1283-D1286 PolarHBondContact O-N 3.03Å; C1284-D1286 VanDerWaalsContact C-N 3.32Å; C1284-D1286 PolarHBondContact O-N 3.13Å; D1286-S1289 PolarHBondContact O-N 3.42Å; D1286-S1289 PolarHBondContact O-OG 2.99Å; D1286-H1290 PolarHBondContact O-N 2.76Å; D1286-H1290 PolarHBondContact O-ND1 3.3Å; D1286-H1290 IonicContact OD1-CE1 3.4Å; D1286-H1290 PolarHBondContact OD1-CE1 3.08Å; D1286-H1290 VanDerWaalsContact OD1-CE1 3.32Å; D1286-H1290 IonicContact OD1-ND1 2.77Å; D1286-H1290 PolarHBondContact OD1-ND1 2.96Å; D1286-P1334 HydrophobicContact CB-CG 4.03Å; D1286-R1337 IonicContact OD1-CZ 3.65Å; D1286-R1337 IonicContact OD1-NH1 3.14Å; D1286-R1337 PolarHBondContact OD1-NH1 3.27Å; D1286-R1337 IonicContact OD1-NH2 3.45Å; D1286-R1337 PolarHBondContact OD1-NH2 3.35Å
1287L91.9Very high88.4Confident0 Ų035.6 Ų35.60%018%0.177CC..Hα-helixtrans-63.2-51.4176.317859.3000111.9V1242 I1251 L1261 V1268 F1283 C1284 S1289 H1290 L1291V1242-L1287 HydrophobicContact CG1-CD2 4.4Å; V1242-L1287 HydrophobicContact CG2-CD2 4.13Å; I1251-L1287 HydrophobicContact CG2-CB 4.35Å; I1251-L1287 HydrophobicContact CG2-CD1 3.98Å; L1261-L1287 HydrophobicContact CD2-CD1 3.93Å; V1268-L1287 HydrophobicContact CG2-CD2 3.85Å; F1283-L1287 HydrophobicContact CE1-CD2 4.15Å; F1283-L1287 HydrophobicContact CZ-CD2 4.28Å; F1283-L1287 WeakPolarHBondContact O-CB 3.44Å; F1283-L1287 PolarHBondContact O-N 3.12Å; C1284-L1287 PolarHBondContact O-N 3.14Å; L1287-S1289 VanDerWaalsContact C-N 3.28Å; L1287-S1289 PolarHBondContact O-N 3.09Å; L1287-H1290 PolarHBondContact O-N 3.07Å; L1287-L1291 HydrophobicContact CD1-CD1 4.12Å; L1287-L1291 HydrophobicContact CD1-CG 4.22Å; L1287-L1291 HydrophobicContact CG-CD1 4.03Å; L1287-L1291 WeakPolarHBondContact O-CG 3.33Å; L1287-L1291 PolarHBondContact O-N 2.89Å
1288V91.9Very high88.5Confident1 Ų137.9 Ų37.91%0.00619%0.185CC..Hα-helixtrans-66.5-34.2-179.6175.30000111.2L1265 V1268 C1284 H1290 L1291 A1292 M1307 L1338L1265-V1288 HydrophobicContact CD2-CG2 4.16Å; V1268-V1288 HydrophobicContact CB-CG2 4.21Å; V1268-V1288 HydrophobicContact CG1-CG2 3.55Å; C1284-V1288 WeakPolarHBondContact O-CG2 3.3Å; C1284-V1288 PolarHBondContact O-N 2.87Å; V1288-H1290 VanDerWaalsContact C-N 3.31Å; V1288-H1290 PolarHBondContact O-N 3.09Å; V1288-L1291 PolarHBondContact O-N 3.25Å; V1288-A1292 WeakPolarHBondContact O-CB 3.37Å; V1288-A1292 PolarHBondContact O-N 3.34Å; V1288-M1307 HydrophobicContact CB-CE 3.44Å; V1288-M1307 VanDerWaalsContact CB-CE 3.44Å; V1288-M1307 HydrophobicContact CB-SD 4.43Å; V1288-M1307 HydrophobicContact CG1-CE 3.34Å; V1288-M1307 HydrophobicContact CG2-CE 3.5Å; V1288-M1307 HydrophobicContact CG2-SD 4.15Å; V1288-L1338 HydrophobicContact CG1-CD2 4.4Å
1289S91Very high88.6Confident0 Ų036.6 Ų36.60%019%0.188CC..Hα-helixtrans-63.7-35.4176.172.10000113.1L1285 D1286 L1287 Q1293 P1334 R1337L1285-S1289 VanDerWaalsContact O-CB 3.25Å; L1285-S1289 WeakPolarHBondContact O-CB 3.28Å; L1285-S1289 PolarHBondContact O-N 3.41Å; L1285-S1289 PolarHBondContact O-OG 3.12Å; D1286-S1289 PolarHBondContact O-N 3.42Å; D1286-S1289 PolarHBondContact O-OG 2.99Å; L1287-S1289 VanDerWaalsContact C-N 3.28Å; L1287-S1289 PolarHBondContact O-N 3.09Å; S1289-Q1293 WeakPolarHBondContact O-CG 3.31Å; S1289-Q1293 PolarHBondContact O-N 2.78Å; S1289-P1334 WeakPolarHBondContact CB-O 3.48Å; S1289-R1337 PolarHBondContact OG-NH1 2.97Å
1290H90.1Very high88.7Confident23 Ų2333.6 Ų33.611%0.10617%0.167CC..Hα-helixtrans-74.4-41.8171.9-73.599.9000112.2I1251 A1255 D1286 L1287 V1288 A1292 Q1293 H1294 R1337I1251-H1290 HydrophobicContact CG2-CB 4.05Å; I1251-H1290 VanDerWaalsContact CG2-ND1 3.29Å; I1251-H1290 WeakPolarHBondContact CG2-ND1 3.29Å; A1255-H1290 HydrophobicContact CB-CB 3.84Å; D1286-H1290 PolarHBondContact O-N 2.76Å; D1286-H1290 PolarHBondContact O-ND1 3.3Å; D1286-H1290 IonicContact OD1-CE1 3.4Å; D1286-H1290 PolarHBondContact OD1-CE1 3.08Å; D1286-H1290 VanDerWaalsContact OD1-CE1 3.32Å; D1286-H1290 IonicContact OD1-ND1 2.77Å; D1286-H1290 PolarHBondContact OD1-ND1 2.96Å; L1287-H1290 PolarHBondContact O-N 3.07Å; V1288-H1290 VanDerWaalsContact C-N 3.31Å; V1288-H1290 PolarHBondContact O-N 3.09Å; H1290-A1292 VanDerWaalsContact C-N 3.29Å; H1290-A1292 PolarHBondContact O-N 3.2Å; H1290-Q1293 PolarHBondContact O-N 3.27Å; H1290-H1294 PolarHBondContact O-CD2 3.03Å; H1290-H1294 PolarHBondContact O-N 3.21Å; H1290-R1337 PolarHBondContact CE1-NH1 3.43Å; H1290-R1337 PolarHBondContact ND1-NH1 3.43Å
1291L89.8Confident88.7Confident1 Ų132 Ų321%0.00516%0.161CC..Hα-helixtrans-61.8-38.5176.2-71174.4000111.7A1255 L1261 L1265 L1287 V1288 Q1293 H1294 Y1295A1255-L1291 HydrophobicContact CB-CD2 3.95Å; A1255-L1291 HydrophobicContact CB-CG 4.44Å; L1261-L1291 HydrophobicContact CB-CD2 4.49Å; L1261-L1291 HydrophobicContact CD2-CD2 4.39Å; L1261-L1291 HydrophobicContact CG-CD2 4.42Å; L1265-L1291 HydrophobicContact CD2-CD1 3.96Å; L1287-L1291 HydrophobicContact CD1-CD1 4.12Å; L1287-L1291 HydrophobicContact CD1-CG 4.22Å; L1287-L1291 HydrophobicContact CG-CD1 4.03Å; L1287-L1291 WeakPolarHBondContact O-CG 3.33Å; L1287-L1291 PolarHBondContact O-N 2.89Å; V1288-L1291 PolarHBondContact O-N 3.25Å; L1291-Q1293 VanDerWaalsContact C-N 3.3Å; L1291-Q1293 PolarHBondContact O-N 3.48Å; L1291-H1294 PolarHBondContact O-N 3.42Å; L1291-Y1295 HydrophobicContact CD2-CD2 4.28Å; L1291-Y1295 HydrophobicContact CD2-CE2 4.44Å; L1291-Y1295 WeakPolarHBondContact O-CA 3.09Å; L1291-Y1295 WeakPolarHBondContact O-CB 3.39Å; L1291-Y1295 PolarHBondContact O-N 3.29Å
1292A88.7Confident88.8Confident0 Ų035.3 Ų35.30%018%0.179CC..Hα-helixtrans-63.5-33.2177.100000112.9V1288 H1290 L1338 A1341 F1342V1288-A1292 WeakPolarHBondContact O-CB 3.37Å; V1288-A1292 PolarHBondContact O-N 3.34Å; H1290-A1292 VanDerWaalsContact C-N 3.29Å; H1290-A1292 PolarHBondContact O-N 3.2Å; A1292-L1338 HydrophobicContact CB-CD2 3.96Å; A1292-A1341 HydrophobicContact CB-CB 3.98Å; A1292-F1342 HydrophobicContact CB-CD2 4.25Å; A1292-F1342 HydrophobicContact CB-CE2 3.49Å; A1292-F1342 VanDerWaalsContact CB-CE2 3.49Å; A1292-F1342 HydrophobicContact CB-CZ 4.06Å
1293Q87.3Confident88.7Confident87 Ų8738.5 Ų38.541%0.40719%0.191SC..Hα-helixtrans-69.5-35.8176.2-74.3-179-24.600112.5S1289 H1290 L1291 A1341S1289-Q1293 WeakPolarHBondContact O-CG 3.31Å; S1289-Q1293 PolarHBondContact O-N 2.78Å; H1290-Q1293 PolarHBondContact O-N 3.27Å; L1291-Q1293 VanDerWaalsContact C-N 3.3Å; L1291-Q1293 PolarHBondContact O-N 3.48Å; Q1293-A1341 HydrophobicContact CG-CB 4.17Å
1294H83.2Confident88.7Confident86 Ų8638.2 Ų38.240%0.39819%0.19SC..Hα-helixtrans-87.9-37.2179.4-72.3-67000113.2H1290 L1291H1290-H1294 PolarHBondContact O-CD2 3.03Å; H1290-H1294 PolarHBondContact O-N 3.21Å; L1291-H1294 PolarHBondContact O-N 3.42Å
1295Y84Confident88.7Confident53 Ų5339.4 Ų39.421%0.20820%0.2CC..  trans-12283.5-176.2-57.9-77.1000109.7P1259 H1262 L1291 I1297 T1300P1259-Y1295 WeakPolarHBondContact CA-OH 3.13Å; P1259-Y1295 WeakPolarHBondContact CB-OH 3.23Å; H1262-Y1295 HydrophobicContact CB-CD2 4.47Å; L1291-Y1295 HydrophobicContact CD2-CD2 4.28Å; L1291-Y1295 HydrophobicContact CD2-CE2 4.44Å; L1291-Y1295 WeakPolarHBondContact O-CA 3.09Å; L1291-Y1295 WeakPolarHBondContact O-CB 3.39Å; L1291-Y1295 PolarHBondContact O-N 3.29Å; Y1295-I1297 PolarHBondContact O-N 3Å; Y1295-T1300 PolarHBondContact O-OG1 3.11Å
1296N81.4Confident88.6Confident129 Ų12943 Ų4369%0.6922%0.215SC*.  trans-78.954.3178.261.4-7.3000112.6F1342N1296-F1342 HydrophobicContact CB-CE1 4.2Å
1297I86.4Confident88.6Confident89 Ų8942.7 Ų42.746%0.45621%0.214SC..  trans-95.1153-176.2-53.9170.9000109.8Y1295 A1299 T1300 L1301Y1295-I1297 PolarHBondContact O-N 3Å; I1297-A1299 PolarHBondContact O-N 3Å; I1297-A1299 VanDerWaalsContact O-N 3.15Å; I1297-T1300 PolarHBondContact N-OG1 3.23Å; I1297-T1300 PolarHBondContact O-N 3.01Å; I1297-T1300 VanDerWaalsContact O-N 3.11Å; I1297-T1300 PolarHBondContact O-OG1 2.8Å; I1297-L1301 PolarHBondContact O-N 2.9Å
1298Q86.8Confident88.6Confident117 Ų11742.8 Ų42.855%0.54721%0.214SC..Hα-helixtrans-54-36.6177.8-173.862.231.600113.1L1301 D1302Q1298-L1301 WeakPolarHBondContact O-CB 3.39Å; Q1298-L1301 PolarHBondContact O-N 3.47Å; Q1298-D1302 PolarHBondContact NE2-OD1 2.82Å; Q1298-D1302 VanDerWaalsContact O-CG 3.3Å; Q1298-D1302 PolarHBondContact O-N 3.07Å
1299A86.4Confident88.5Confident38 Ų3847.1 Ų47.131%0.31424%0.237SC..Hα-helixtrans-59.4-49.6176.800000111.8I1297 L1301 D1302 R1303I1297-A1299 PolarHBondContact O-N 3Å; I1297-A1299 VanDerWaalsContact O-N 3.15Å; A1299-L1301 VanDerWaalsContact C-N 3.27Å; A1299-L1301 PolarHBondContact O-N 3.22Å; A1299-D1302 PolarHBondContact O-N 2.98Å; A1299-R1303 WeakPolarHBondContact O-CD 3.36Å; A1299-R1303 PolarHBondContact O-N 3.47Å; A1299-R1303 VanDerWaalsContact O-N 3.11Å
1300T88.1Confident88.5Confident2 Ų248 Ų481%0.01224%0.244CC..Hα-helixtrans-62.3-35.2177.845.20000111.8L1265 Y1295 I1297 A1304 F1342L1265-T1300 HydrophobicContact CD1-CG2 3.28Å; L1265-T1300 HydrophobicContact CD2-CG2 3.81Å; L1265-T1300 HydrophobicContact CG-CG2 4.18Å; Y1295-T1300 PolarHBondContact O-OG1 3.11Å; I1297-T1300 PolarHBondContact N-OG1 3.23Å; I1297-T1300 PolarHBondContact O-N 3.01Å; I1297-T1300 VanDerWaalsContact O-N 3.11Å; I1297-T1300 PolarHBondContact O-OG1 2.8Å; T1300-A1304 WeakPolarHBondContact O-CB 3.44Å; T1300-A1304 PolarHBondContact O-N 3.35Å; T1300-F1342 WeakPolarHBondContact OG1-CZ 3.4Å
1301L89.7Confident88.5Confident27 Ų2747 Ų4714%0.14124%0.239CC..Hα-helixtrans-62.2-51.2174.8175.967.6000112.3I1297 Q1298 A1299 R1303 A1304 A1305 F1342 L1345I1297-L1301 PolarHBondContact O-N 2.9Å; Q1298-L1301 WeakPolarHBondContact O-CB 3.39Å; Q1298-L1301 PolarHBondContact O-N 3.47Å; A1299-L1301 VanDerWaalsContact C-N 3.27Å; A1299-L1301 PolarHBondContact O-N 3.22Å; L1301-R1303 VanDerWaalsContact C-N 3.28Å; L1301-R1303 PolarHBondContact O-N 3.42Å; L1301-A1304 PolarHBondContact O-N 2.71Å; L1301-A1305 WeakPolarHBondContact O-CB 3.5Å; L1301-A1305 PolarHBondContact O-N 2.99Å; L1301-F1342 HydrophobicContact CB-CD1 4.23Å; L1301-F1342 HydrophobicContact CB-CD2 4.46Å; L1301-F1342 HydrophobicContact CB-CE1 4.01Å; L1301-F1342 HydrophobicContact CB-CE2 4.23Å; L1301-F1342 HydrophobicContact CB-CG 4.46Å; L1301-F1342 HydrophobicContact CB-CZ 4.02Å; L1301-F1342 HydrophobicContact CD1-CB 3.65Å; L1301-F1342 HydrophobicContact CD1-CD1 3.8Å; L1301-F1342 HydrophobicContact CD1-CD2 3.91Å; L1301-F1342 HydrophobicContact CD1-CE1 4.43Å; L1301-F1342 HydrophobicContact CD1-CG 3.51Å; L1301-L1345 HydrophobicContact CD1-CD1 3.92Å; L1301-L1345 HydrophobicContact CD1-CD2 4.22Å; L1301-L1345 HydrophobicContact CD1-CG 3.91Å
1302D90.2Very high88.5Confident75 Ų7551.9 Ų51.940%0.40126%0.258SS..Hα-helixtrans-60.9-41-178.6-64.6-23.8000111.1Q1298 A1299 F1306Q1298-D1302 PolarHBondContact NE2-OD1 2.82Å; Q1298-D1302 VanDerWaalsContact O-CG 3.3Å; Q1298-D1302 PolarHBondContact O-N 3.07Å; A1299-D1302 PolarHBondContact O-N 2.98Å; D1302-F1306 WeakPolarHBondContact O-CB 3.37Å; D1302-F1306 PolarHBondContact O-N 3.38Å; D1302-F1306 VanDerWaalsContact O-N 3.07Å
1303R88.8Confident88.6Confident69 Ų6956.7 Ų56.726%0.2628%0.28SS..Hα-helixtrans-71.4-39178.7-76.485.9-176.4138.9-5.2112.4D1266 I1269 A1299 L1301 F1306 M1307D1266-R1303 IonicContact OD1-CZ 2.7Å; D1266-R1303 VanDerWaalsContact OD1-CZ 3.28Å; D1266-R1303 IonicContact OD1-NE 2.6Å; D1266-R1303 PolarHBondContact OD1-NE 3.03Å; D1266-R1303 IonicContact OD1-NH2 2.64Å; D1266-R1303 PolarHBondContact OD1-NH2 2.95Å; D1266-R1303 IonicContact OD2-NH2 3.32Å; I1269-R1303 HydrophobicContact CD1-CB 3.66Å; I1269-R1303 HydrophobicContact CD1-CG 3.09Å; I1269-R1303 HydrophobicContact CG1-CB 4.27Å; I1269-R1303 HydrophobicContact CG1-CG 4.07Å; A1299-R1303 WeakPolarHBondContact O-CD 3.36Å; A1299-R1303 PolarHBondContact O-N 3.47Å; A1299-R1303 VanDerWaalsContact O-N 3.11Å; L1301-R1303 VanDerWaalsContact C-N 3.28Å; L1301-R1303 PolarHBondContact O-N 3.42Å; R1303-F1306 PolarHBondContact O-N 3.42Å; R1303-M1307 WeakPolarHBondContact O-CE 3.44Å; R1303-M1307 PolarHBondContact O-N 3.47Å
1304A91.3Very high88.6Confident0 Ų054.4 Ų54.40%027%0.269CS..Hα-helixtrans-61.3-46172.400000112T1300 L1301 F1306 M1307 I1308 L1338 F1342 L1345T1300-A1304 WeakPolarHBondContact O-CB 3.44Å; T1300-A1304 PolarHBondContact O-N 3.35Å; L1301-A1304 PolarHBondContact O-N 2.71Å; A1304-F1306 VanDerWaalsContact C-N 3.34Å; A1304-F1306 PolarHBondContact O-N 3.2Å; A1304-M1307 PolarHBondContact O-N 3.23Å; A1304-I1308 WeakPolarHBondContact O-CD1 3.19Å; A1304-I1308 VanDerWaalsContact O-CG1 3.29Å; A1304-I1308 WeakPolarHBondContact O-CG1 3.44Å; A1304-I1308 PolarHBondContact O-N 3.5Å; A1304-L1338 HydrophobicContact CB-CD2 3.81Å; A1304-F1342 HydrophobicContact CB-CD2 4.38Å; A1304-F1342 HydrophobicContact CB-CE2 4.4Å; A1304-L1345 HydrophobicContact CB-CD1 3.76Å
1305A92.5Very high88.8Confident25 Ų2550.3 Ų50.321%0.20725%0.25CC..Hα-helixtrans-56.9-49175.600000111L1301 M1307 I1308 D1309 L1345L1301-A1305 WeakPolarHBondContact O-CB 3.5Å; L1301-A1305 PolarHBondContact O-N 2.99Å; A1305-M1307 PolarHBondContact O-N 3.12Å; A1305-I1308 PolarHBondContact O-N 3.32Å; A1305-D1309 PolarHBondContact O-N 2.94Å; A1305-L1345 HydrophobicContact CB-CD2 3.77Å
1306F90.7Very high89Confident75 Ų7549.2 Ų49.233%0.32925%0.249SC..Hα-helixtrans-59.2-43.7178177.5-92.1000113.2I1269 R1273 D1302 R1303 A1304 I1308 D1309 S1310I1269-F1306 HydrophobicContact CD1-CD1 4.29Å; I1269-F1306 HydrophobicContact CG1-CD1 4.38Å; I1269-F1306 HydrophobicContact CG2-CD1 3.72Å; I1269-F1306 HydrophobicContact CG2-CE1 3.45Å; I1269-F1306 VanDerWaalsContact CG2-CE1 3.45Å; I1269-F1306 HydrophobicContact CG2-CZ 4.42Å; R1273-F1306 HydrophobicContact CG-CE1 4Å; R1273-F1306 HydrophobicContact CG-CZ 4.29Å; D1302-F1306 WeakPolarHBondContact O-CB 3.37Å; D1302-F1306 PolarHBondContact O-N 3.38Å; D1302-F1306 VanDerWaalsContact O-N 3.07Å; R1303-F1306 PolarHBondContact O-N 3.42Å; A1304-F1306 VanDerWaalsContact C-N 3.34Å; A1304-F1306 PolarHBondContact O-N 3.2Å; F1306-I1308 VanDerWaalsContact C-N 3.34Å; F1306-D1309 PolarHBondContact O-N 3.4Å; F1306-S1310 WeakPolarHBondContact CE1-OG 3.44Å; F1306-S1310 WeakPolarHBondContact CZ-OG 3.31Å; F1306-S1310 VanDerWaalsContact O-CB 3.3Å; F1306-S1310 WeakPolarHBondContact O-CB 3.23Å; F1306-S1310 PolarHBondContact O-N 2.96Å; F1306-S1310 PolarHBondContact O-OG 3.41Å
1307M90.8Very high89.3Confident0 Ų047.9 Ų47.90%025%0.245CC..Hα-helixtrans-67.1-34.9177.6-73.9-177.3-71.600112.4F1272 L1285 V1288 R1303 A1304 A1305 S1310 L1311F1272-M1307 HydrophobicContact CD1-CG 4.26Å; F1272-M1307 HydrophobicContact CD2-CG 4.44Å; F1272-M1307 HydrophobicContact CD2-SD 4.38Å; F1272-M1307 HydrophobicContact CG-CG 4.21Å; F1272-M1307 HydrophobicContact CG-SD 4.47Å; L1285-M1307 HydrophobicContact CD1-CB 4.37Å; V1288-M1307 HydrophobicContact CB-CE 3.44Å; V1288-M1307 VanDerWaalsContact CB-CE 3.44Å; V1288-M1307 HydrophobicContact CB-SD 4.43Å; V1288-M1307 HydrophobicContact CG1-CE 3.34Å; V1288-M1307 HydrophobicContact CG2-CE 3.5Å; V1288-M1307 HydrophobicContact CG2-SD 4.15Å; R1303-M1307 WeakPolarHBondContact O-CE 3.44Å; R1303-M1307 PolarHBondContact O-N 3.47Å; A1304-M1307 PolarHBondContact O-N 3.23Å; A1305-M1307 PolarHBondContact O-N 3.12Å; M1307-S1310 PolarHBondContact O-N 3.3Å; M1307-L1311 WeakPolarHBondContact O-CB 3.42Å; M1307-L1311 PolarHBondContact O-N 3.02Å
1308I91Very high89.2Confident1 Ų147.4 Ų47.41%0.00525%0.246CC..Hα-helixtrans-66.2-45.4176.1-67.8160.7000110.4A1304 A1305 F1306 S1310 L1311 Y1312 L1335 L1338 L1345 I1348 I1349 L1352A1304-I1308 WeakPolarHBondContact O-CD1 3.19Å; A1304-I1308 VanDerWaalsContact O-CG1 3.29Å; A1304-I1308 WeakPolarHBondContact O-CG1 3.44Å; A1304-I1308 PolarHBondContact O-N 3.5Å; A1305-I1308 PolarHBondContact O-N 3.32Å; F1306-I1308 VanDerWaalsContact C-N 3.34Å; I1308-S1310 VanDerWaalsContact C-N 3.33Å; I1308-S1310 PolarHBondContact O-N 3.46Å; I1308-L1311 PolarHBondContact O-N 3.39Å; I1308-Y1312 WeakPolarHBondContact O-CB 3.12Å; I1308-Y1312 PolarHBondContact O-N 3.06Å; I1308-L1335 HydrophobicContact CG1-CD2 4.09Å; I1308-L1338 HydrophobicContact CD1-CD1 4.35Å; I1308-L1338 HydrophobicContact CG1-CD1 4.39Å; I1308-L1345 HydrophobicContact CD1-CB 4.11Å; I1308-L1345 HydrophobicContact CD1-CD1 3.81Å; I1308-L1345 HydrophobicContact CD1-CD2 4.5Å; I1308-L1345 HydrophobicContact CD1-CG 4.37Å; I1308-I1348 HydrophobicContact CG2-CG2 3.87Å; I1308-I1349 HydrophobicContact CD1-CD1 3.85Å; I1308-I1349 HydrophobicContact CD1-CG1 3.71Å; I1308-I1349 HydrophobicContact CG1-CG1 4.32Å; I1308-I1349 HydrophobicContact CG2-CG1 4.24Å; I1308-L1352 HydrophobicContact CG2-CD1 4Å
1309D90.9Very high89.1Confident92 Ų9242 Ų4249%0.49222%0.221SC..Hα-helixtrans-63.9-40.6177.1-71.6-20000111.5A1305 F1306 Y1312 H1313A1305-D1309 PolarHBondContact O-N 2.94Å; F1306-D1309 PolarHBondContact O-N 3.4Å; D1309-Y1312 WeakPolarHBondContact O-CB 3.49Å; D1309-Y1312 PolarHBondContact O-N 2.62Å; D1309-H1313 PolarHBondContact O-N 3.09Å; D1309-H1313 VanDerWaalsContact O-N 3.12Å
1310S89.3Confident89Confident20 Ų2042.6 Ų42.614%0.1422%0.223CC..Hα-helixtrans-66.7-42.8175.7-60.10000111.6F1306 M1307 I1308 Y1312 H1313 F1314F1306-S1310 WeakPolarHBondContact CE1-OG 3.44Å; F1306-S1310 WeakPolarHBondContact CZ-OG 3.31Å; F1306-S1310 VanDerWaalsContact O-CB 3.3Å; F1306-S1310 WeakPolarHBondContact O-CB 3.23Å; F1306-S1310 PolarHBondContact O-N 2.96Å; F1306-S1310 PolarHBondContact O-OG 3.41Å; M1307-S1310 PolarHBondContact O-N 3.3Å; I1308-S1310 VanDerWaalsContact C-N 3.33Å; I1308-S1310 PolarHBondContact O-N 3.46Å; S1310-Y1312 VanDerWaalsContact C-N 3.32Å; S1310-Y1312 PolarHBondContact O-N 2.88Å; S1310-H1313 PolarHBondContact O-N 3.5Å; S1310-F1314 WeakPolarHBondContact O-CD2 3.28Å; S1310-F1314 PolarHBondContact O-N 3.07Å
1311L90.4Very high88.7Confident1 Ų145.8 Ų45.81%0.00524%0.243CC..Hα-helixtrans-61.6-40.6175.5-178.168.6000111.3F1272 L1285 M1307 I1308 H1313 F1314 L1315 C1331 L1335 L1352F1272-L1311 HydrophobicContact CZ-CB 4.2Å; L1285-L1311 HydrophobicContact CD2-CD2 4.05Å; M1307-L1311 WeakPolarHBondContact O-CB 3.42Å; M1307-L1311 PolarHBondContact O-N 3.02Å; I1308-L1311 PolarHBondContact O-N 3.39Å; L1311-H1313 VanDerWaalsContact C-N 3.33Å; L1311-H1313 PolarHBondContact O-N 3.39Å; L1311-F1314 PolarHBondContact O-N 3.42Å; L1311-L1315 HydrophobicContact CD1-CD1 4.03Å; L1311-L1315 HydrophobicContact CD1-CG 4.11Å; L1311-L1315 HydrophobicContact CD2-CD1 4.35Å; L1311-L1315 HydrophobicContact CG-CD1 3.81Å; L1311-L1315 HydrophobicContact CG-CG 4.28Å; L1311-L1315 WeakPolarHBondContact O-CB 3.38Å; L1311-L1315 WeakPolarHBondContact O-CG 3.32Å; L1311-L1315 PolarHBondContact O-N 2.89Å; L1311-C1331 HydrophobicContact CD2-CB 4.15Å; L1311-L1335 HydrophobicContact CD2-CD1 4.12Å; L1311-L1335 HydrophobicContact CD2-CD2 4.1Å; L1311-L1335 HydrophobicContact CD2-CG 4.4Å; L1311-L1352 HydrophobicContact CB-CD1 4.49Å; L1311-L1352 HydrophobicContact CD2-CD1 4.29Å; L1311-L1352 HydrophobicContact CG-CD1 4.42Å
1312Y90.8Very high88.1Confident104 Ų10451.1 Ų51.141%0.40827%0.267SS..Hα-helixtrans-56.2-49.3173.1-179.8-91.5000110.8I1308 D1309 S1310 L1315 T1316 L1352 S1355I1308-Y1312 WeakPolarHBondContact O-CB 3.12Å; I1308-Y1312 PolarHBondContact O-N 3.06Å; D1309-Y1312 WeakPolarHBondContact O-CB 3.49Å; D1309-Y1312 PolarHBondContact O-N 2.62Å; S1310-Y1312 VanDerWaalsContact C-N 3.32Å; S1310-Y1312 PolarHBondContact O-N 2.88Å; Y1312-L1315 PolarHBondContact O-N 3.21Å; Y1312-T1316 HydrophobicContact CD1-CG2 4.45Å; Y1312-T1316 HydrophobicContact CE1-CG2 4.18Å; Y1312-T1316 HydrophobicContact CE2-CG2 4.29Å; Y1312-T1316 WeakPolarHBondContact O-CB 3.35Å; Y1312-T1316 VanDerWaalsContact O-CG2 3.28Å; Y1312-T1316 WeakPolarHBondContact O-CG2 3.22Å; Y1312-T1316 PolarHBondContact O-N 2.98Å; Y1312-T1316 PolarHBondContact O-OG1 3.36Å; Y1312-L1352 HydrophobicContact CD2-CB 3.93Å; Y1312-L1352 HydrophobicContact CD2-CD1 4.43Å; Y1312-L1352 HydrophobicContact CD2-CG 3.94Å; Y1312-S1355 WeakPolarHBondContact CE2-OG 3.33Å
1313H89.8Confident87.7Confident101 Ų10151.8 Ų51.847%0.46827%0.268SS..Hα-helixtrans-63.1-44.5177.9-175.269000112.4D1309 S1310 L1311 T1316 V1317D1309-H1313 PolarHBondContact O-N 3.09Å; D1309-H1313 VanDerWaalsContact O-N 3.12Å; S1310-H1313 PolarHBondContact O-N 3.5Å; L1311-H1313 VanDerWaalsContact C-N 3.33Å; L1311-H1313 PolarHBondContact O-N 3.39Å; H1313-T1316 PolarHBondContact O-N 3.39Å; H1313-T1316 PolarHBondContact O-OG1 3.05Å; H1313-V1317 WeakPolarHBondContact O-CB 3.23Å; H1313-V1317 PolarHBondContact O-N 3.44Å
1314F87.3Confident87.7Confident38 Ų3849.4 Ų49.417%0.16726%0.259CS..Iπ-helixtrans-59.8-50.1177.2-76.6-60.6000111.7F1272 M1281 S1310 L1311 T1316 V1318 V1319F1272-F1314 HydrophobicContact CD1-CE2 4.42Å; F1272-F1314 HydrophobicContact CE1-CD2 4.05Å; F1272-F1314 AromaticContact CE1-CE2 3.81Å; F1272-F1314 HydrophobicContact CE1-CE2 3.81Å; F1272-F1314 HydrophobicContact CZ-CD2 4.34Å; F1272-F1314 HydrophobicContact CZ-CE2 4.49Å; M1281-F1314 HydrophobicContact CE-CD1 4.37Å; M1281-F1314 HydrophobicContact CE-CD2 4.41Å; M1281-F1314 HydrophobicContact CE-CE1 3.99Å; M1281-F1314 HydrophobicContact CE-CE2 4.02Å; M1281-F1314 HydrophobicContact CE-CZ 3.8Å; M1281-F1314 HydrophobicContact SD-CD2 4.41Å; M1281-F1314 HydrophobicContact SD-CE2 4.48Å; S1310-F1314 WeakPolarHBondContact O-CD2 3.28Å; S1310-F1314 PolarHBondContact O-N 3.07Å; L1311-F1314 PolarHBondContact O-N 3.42Å; F1314-T1316 VanDerWaalsContact C-N 3.32Å; F1314-T1316 PolarHBondContact O-N 3.47Å; F1314-V1318 HydrophobicContact CD1-CB 3.89Å; F1314-V1318 HydrophobicContact CD1-CG1 4.07Å; F1314-V1318 HydrophobicContact CD1-CG2 3.8Å; F1314-V1318 HydrophobicContact CE1-CG2 4.35Å; F1314-V1318 PolarHBondContact O-N 3.4Å; F1314-V1319 HydrophobicContact CB-CG2 4.41Å; F1314-V1319 WeakPolarHBondContact O-CG2 3.07Å; F1314-V1319 PolarHBondContact O-N 2.75Å
1315L88.8Confident87.3Confident0 Ų049.4 Ų49.40%026%0.259CS..Iπ-helixtrans-66.8-30.9-177.6-71.6172.7000113.7L1311 Y1312 R1324 L1327 L1328 L1352 V1356L1311-L1315 HydrophobicContact CD1-CD1 4.03Å; L1311-L1315 HydrophobicContact CD1-CG 4.11Å; L1311-L1315 HydrophobicContact CD2-CD1 4.35Å; L1311-L1315 HydrophobicContact CG-CD1 3.81Å; L1311-L1315 HydrophobicContact CG-CG 4.28Å; L1311-L1315 WeakPolarHBondContact O-CB 3.38Å; L1311-L1315 WeakPolarHBondContact O-CG 3.32Å; L1311-L1315 PolarHBondContact O-N 2.89Å; Y1312-L1315 PolarHBondContact O-N 3.21Å; L1315-R1324 HydrophobicContact CD2-CG 4.28Å; L1315-R1324 WeakPolarHBondContact O-CD 3.36Å; L1315-R1324 PolarHBondContact O-NE 3.23Å; L1315-L1327 HydrophobicContact CD2-CB 4.27Å; L1315-L1327 HydrophobicContact CD2-CD2 3.88Å; L1315-L1327 HydrophobicContact CD2-CG 4.02Å; L1315-L1328 HydrophobicContact CD1-CD1 3.92Å; L1315-L1328 HydrophobicContact CD2-CB 4.36Å; L1315-L1352 HydrophobicContact CD1-CD2 4.2Å; L1315-V1356 HydrophobicContact CB-CG1 4.24Å; L1315-V1356 HydrophobicContact CB-CG2 3.95Å; L1315-V1356 HydrophobicContact CD1-CG1 4.46Å; L1315-V1356 HydrophobicContact CD1-CG2 4.25Å
1316T87.7Confident86.9Confident31 Ų3149.7 Ų49.719%0.1926%0.259CS..Iπ-helixtrans-88.9-36.3-176.953.30000113.3Y1312 H1313 F1314 V1356 M1359Y1312-T1316 HydrophobicContact CD1-CG2 4.45Å; Y1312-T1316 HydrophobicContact CE1-CG2 4.18Å; Y1312-T1316 HydrophobicContact CE2-CG2 4.29Å; Y1312-T1316 WeakPolarHBondContact O-CB 3.35Å; Y1312-T1316 VanDerWaalsContact O-CG2 3.28Å; Y1312-T1316 WeakPolarHBondContact O-CG2 3.22Å; Y1312-T1316 PolarHBondContact O-N 2.98Å; Y1312-T1316 PolarHBondContact O-OG1 3.36Å; H1313-T1316 PolarHBondContact O-N 3.39Å; H1313-T1316 PolarHBondContact O-OG1 3.05Å; F1314-T1316 VanDerWaalsContact C-N 3.32Å; F1314-T1316 PolarHBondContact O-N 3.47Å; T1316-V1356 HydrophobicContact CG2-CG2 4.14Å; T1316-M1359 HydrophobicContact CG2-SD 3.93Å
1317V86.5Confident86.7Confident100 Ų10046.5 Ų46.561%0.60625%0.245SC*.Iπ-helixtrans-112.8-42.7-170.7-177.30000113.1H1313H1313-V1317 WeakPolarHBondContact O-CB 3.23Å; H1313-V1317 PolarHBondContact O-N 3.44Å
1318V84.3Confident86.6Confident79 Ų7946.5 Ų46.548%0.47925%0.245SC..Iπ-helixtrans-92.6-42.6-166.1-176.40000112.2F1314F1314-V1318 HydrophobicContact CD1-CB 3.89Å; F1314-V1318 HydrophobicContact CD1-CG1 4.07Å; F1314-V1318 HydrophobicContact CD1-CG2 3.8Å; F1314-V1318 HydrophobicContact CE1-CG2 4.35Å; F1314-V1318 PolarHBondContact O-N 3.4Å
1319V86Confident86.4Confident4 Ų447.7 Ų47.72%0.02425%0.25CC..SBendtrans-77.2133.9-171.31800000110.8Y1278 F1314 E1323 R1324 L1327Y1278-V1319 HydrophobicContact CE1-CG2 3.72Å; F1314-V1319 HydrophobicContact CB-CG2 4.41Å; F1314-V1319 WeakPolarHBondContact O-CG2 3.07Å; F1314-V1319 PolarHBondContact O-N 2.75Å; V1319-E1323 HydrophobicContact CG1-CB 4.01Å; V1319-R1324 HydrophobicContact CG1-CB 4.09Å; V1319-R1324 PolarHBondContact O-NH2 3.39Å; V1319-R1324 VanDerWaalsContact O-NH2 3.12Å; V1319-L1327 HydrophobicContact CG1-CD2 4.44Å; V1319-L1327 HydrophobicContact CG2-CD2 3.73Å
1320S84.1Confident86.1Confident50 Ų5046.4 Ų46.435%0.3524%0.241SC..  trans-58.1154.5175.671.40000111.5E1322 E1323 R1324S1320-E1322 PolarHBondContact O-N 2.82Å; S1320-E1323 PolarHBondContact O-N 3.43Å; S1320-E1323 WeakPolarHBondContact OG-CB 3.32Å; S1320-E1323 WeakPolarHBondContact OG-CG 3.45Å; S1320-E1323 PolarHBondContact OG-N 3.33Å; S1320-E1323 PolarHBondContact OG-OE2 2.91Å; S1320-R1324 WeakPolarHBondContact O-CB 3.14Å; S1320-R1324 PolarHBondContact O-N 3.22Å
1321V80.7Confident86.1Confident70 Ų7045.5 Ų45.542%0.42424%0.235SC..Hα-helixtrans-61.1-33-178.3-178.50000111.7T1363V1321-T1363 HydrophobicContact CG1-CG2 3.54Å
1322E78.4Confident86.1Confident138 Ų13845.6 Ų45.665%0.64524%0.235SC*.Hα-helixtrans-74.9-37.9-176.5-61.9178.3-175.400113.4S1320 L1400S1320-E1322 PolarHBondContact O-N 2.82Å; E1322-L1400 HydrophobicContact CG-CD2 4.39Å
1323E81.5Confident86Confident90 Ų9043 Ų4342%0.42123%0.232SC..Hα-helixtrans-87.3-18.4-177.5-65.2169.8145.900112.9Y1278 V1319 S1320 S1325 S1326 L1327Y1278-E1323 WeakPolarHBondContact CE2-OE2 3.19Å; V1319-E1323 HydrophobicContact CG1-CB 4.01Å; S1320-E1323 PolarHBondContact O-N 3.43Å; S1320-E1323 WeakPolarHBondContact OG-CB 3.32Å; S1320-E1323 WeakPolarHBondContact OG-CG 3.45Å; S1320-E1323 PolarHBondContact OG-N 3.33Å; S1320-E1323 PolarHBondContact OG-OE2 2.91Å; E1323-S1325 PolarHBondContact O-N 3.06Å; E1323-S1326 PolarHBondContact O-N 3Å; E1323-L1327 PolarHBondContact O-N 3.46Å
1324R87.8Confident86Confident19 Ų1938.1 Ų38.17%0.07221%0.209CC..Hα-helixtrans-56.9-43.9-174.4-173.9-177-63.6133.29113.1L1315 V1319 S1320 L1328 V1356 I1360L1315-R1324 HydrophobicContact CD2-CG 4.28Å; L1315-R1324 WeakPolarHBondContact O-CD 3.36Å; L1315-R1324 PolarHBondContact O-NE 3.23Å; V1319-R1324 HydrophobicContact CG1-CB 4.09Å; V1319-R1324 PolarHBondContact O-NH2 3.39Å; V1319-R1324 VanDerWaalsContact O-NH2 3.12Å; S1320-R1324 WeakPolarHBondContact O-CB 3.14Å; S1320-R1324 PolarHBondContact O-N 3.22Å; R1324-L1328 VanDerWaalsContact O-CB 3.28Å; R1324-L1328 WeakPolarHBondContact O-CB 3.44Å; R1324-L1328 PolarHBondContact O-N 3.19Å; R1324-V1356 HydrophobicContact CG-CG1 4.06Å; R1324-I1360 HydrophobicContact CG-CG1 4.48Å
1325S84.6Confident86.2Confident0 Ų036.3 Ų36.30%020%0.201CC..Hα-helixtrans-70.1-36.9-178.351.80000112.4E1323 Y1329 R1403 N1404 C1407E1323-S1325 PolarHBondContact O-N 3.06Å; S1325-Y1329 WeakPolarHBondContact O-CB 3.29Å; S1325-Y1329 PolarHBondContact O-N 2.89Å; S1325-R1403 VanDerWaalsContact OG-CD 3.28Å; S1325-R1403 WeakPolarHBondContact OG-CD 3.48Å; S1325-N1404 WeakPolarHBondContact CB-OD1 3.39Å; S1325-N1404 PolarHBondContact OG-OD1 3.32Å; S1325-C1407 PolarHBondContact O-SG 3.4Å; S1325-C1407 VanDerWaalsContact O-SG 3.36Å
1326S83.7Confident86.2Confident30 Ų3037.5 Ų37.521%0.2121%0.208CC..Hα-helixtrans-64.4-51.7172.9-74.70000112.4E1323 L1328 Y1329 E1330 R1403E1323-S1326 PolarHBondContact O-N 3Å; S1326-L1328 VanDerWaalsContact C-N 3.34Å; S1326-L1328 PolarHBondContact O-N 3.03Å; S1326-Y1329 WeakPolarHBondContact O-CB 3.49Å; S1326-Y1329 PolarHBondContact O-N 3.38Å; S1326-E1330 PolarHBondContact O-N 3.37Å; S1326-R1403 VanDerWaalsContact OG-CD 3.29Å; S1326-R1403 WeakPolarHBondContact OG-CD 3.5Å; S1326-R1403 PolarHBondContact OG-NE 2.94Å; S1326-R1403 VanDerWaalsContact OG-NE 3.13Å; S1326-R1403 PolarHBondContact OG-NH1 3.44Å
1327L86.5Confident86.2Confident9 Ų937.7 Ų37.75%0.04721%0.205CC..Hα-helixtrans-61.7-44.9-178.7179.556.9000111.2Y1278 V1282 L1315 V1319 E1323 Y1329 E1330 C1331Y1278-L1327 HydrophobicContact CD1-CD2 3.68Å; Y1278-L1327 HydrophobicContact CE1-CD2 4.05Å; Y1278-L1327 HydrophobicContact CG-CD1 4.43Å; Y1278-L1327 HydrophobicContact CG-CD2 4.17Å; V1282-L1327 HydrophobicContact CG2-CD1 3.55Å; L1315-L1327 HydrophobicContact CD2-CB 4.27Å; L1315-L1327 HydrophobicContact CD2-CD2 3.88Å; L1315-L1327 HydrophobicContact CD2-CG 4.02Å; V1319-L1327 HydrophobicContact CG1-CD2 4.44Å; V1319-L1327 HydrophobicContact CG2-CD2 3.73Å; E1323-L1327 PolarHBondContact O-N 3.46Å; L1327-Y1329 VanDerWaalsContact C-N 3.34Å; L1327-Y1329 PolarHBondContact O-N 3.23Å; L1327-E1330 PolarHBondContact O-N 3.01Å; L1327-C1331 PolarHBondContact O-N 2.84Å; L1327-C1331 VanDerWaalsContact O-N 3.15Å; L1327-C1331 PolarHBondContact O-SG 3.22Å; L1327-C1331 VanDerWaalsContact O-SG 3.33Å
1328L88.3Confident86.4Confident0 Ų033 Ų330%018%0.176CC..Hα-helixtrans-60.8-45.7176.3179.259.6000110.8L1315 R1324 S1326 E1330 C1331 L1332 L1352 L1353 V1356 I1360 I1411L1315-L1328 HydrophobicContact CD1-CD1 3.92Å; L1315-L1328 HydrophobicContact CD2-CB 4.36Å; R1324-L1328 VanDerWaalsContact O-CB 3.28Å; R1324-L1328 WeakPolarHBondContact O-CB 3.44Å; R1324-L1328 PolarHBondContact O-N 3.19Å; S1326-L1328 VanDerWaalsContact C-N 3.34Å; S1326-L1328 PolarHBondContact O-N 3.03Å; L1328-E1330 VanDerWaalsContact C-N 3.27Å; L1328-E1330 PolarHBondContact O-N 3.38Å; L1328-C1331 PolarHBondContact O-N 3.13Å; L1328-L1332 HydrophobicContact CD1-CD2 4.42Å; L1328-L1332 WeakPolarHBondContact O-CG 3.39Å; L1328-L1332 PolarHBondContact O-N 3.16Å; L1328-L1352 HydrophobicContact CD1-CD2 4.29Å; L1328-L1353 HydrophobicContact CD1-CD2 3.97Å; L1328-V1356 HydrophobicContact CD2-CB 4.2Å; L1328-V1356 HydrophobicContact CD2-CG1 3.71Å; L1328-I1360 HydrophobicContact CD2-CD1 3.73Å; L1328-I1411 HydrophobicContact CD2-CD1 3.46Å; L1328-I1411 VanDerWaalsContact CD2-CD1 3.46Å; L1328-I1411 HydrophobicContact CD2-CG1 4.09Å; L1328-I1411 HydrophobicContact CG-CD1 4.42Å
1329Y86.1Confident86.5Confident26 Ų2629.2 Ų29.210%0.10215%0.153CC..Hα-helixtrans-57.3-39.4179.3-178.9-97.9000112.4S1325 S1326 L1327 L1332 M1395 F1406 K1410S1325-Y1329 WeakPolarHBondContact O-CB 3.29Å; S1325-Y1329 PolarHBondContact O-N 2.89Å; S1326-Y1329 WeakPolarHBondContact O-CB 3.49Å; S1326-Y1329 PolarHBondContact O-N 3.38Å; L1327-Y1329 VanDerWaalsContact C-N 3.34Å; L1327-Y1329 PolarHBondContact O-N 3.23Å; Y1329-L1332 HydrophobicContact CD2-CD1 4.19Å; Y1329-L1332 WeakPolarHBondContact O-CB 3.49Å; Y1329-M1395 HydrophobicContact CD1-CE 4.25Å; Y1329-M1395 HydrophobicContact CD2-CE 4.37Å; Y1329-M1395 HydrophobicContact CG-CE 4.16Å; Y1329-F1406 HydrophobicContact CD2-CD1 4.33Å; Y1329-F1406 HydrophobicContact CD2-CE1 4.33Å; Y1329-F1406 AromaticContact CE2-CD1 3.82Å; Y1329-F1406 HydrophobicContact CE2-CD1 3.82Å; Y1329-F1406 AromaticContact CE2-CE1 3.4Å; Y1329-F1406 HydrophobicContact CE2-CE1 3.4Å; Y1329-F1406 VanDerWaalsContact CE2-CE1 3.4Å; Y1329-F1406 HydrophobicContact CE2-CZ 4.48Å; Y1329-F1406 AromaticContact CZ-CE1 3.67Å; Y1329-F1406 WeakPolarHBondContact OH-CE1 3.37Å; Y1329-K1410 HydrophobicContact CD2-CB 4.36Å; Y1329-K1410 HydrophobicContact CD2-CG 4.35Å; Y1329-K1410 HydrophobicContact CE2-CB 4.21Å; Y1329-K1410 HydrophobicContact CE2-CG 3.96Å
1330E85.5Confident86.4Confident65 Ų6531.1 Ų31.130%0.30417%0.167SC..Hα-helixtrans-70.2-33.2176.2-68.1-162.9-170.800113.7R1248 V1282 S1326 L1327 L1328 P1334R1248-E1330 IonicContact NH1-OE2 3.07Å; R1248-E1330 PolarHBondContact NH1-OE2 2.87Å; V1282-E1330 HydrophobicContact CG1-CB 3.87Å; V1282-E1330 HydrophobicContact CG2-CB 3.88Å; S1326-E1330 PolarHBondContact O-N 3.37Å; L1327-E1330 PolarHBondContact O-N 3.01Å; L1328-E1330 VanDerWaalsContact C-N 3.27Å; L1328-E1330 PolarHBondContact O-N 3.38Å; E1330-P1334 WeakPolarHBondContact O-CD 3.47Å
1331C90.2Very high86.6Confident1 Ų130 Ų301%0.00716%0.16CC..Hα-helixtrans-78.6-17179.1-70.20000113.9L1285 L1311 L1327 L1328 S1333 P1334 L1335L1285-C1331 HydrophobicContact CD2-CB 3.66Å; L1311-C1331 HydrophobicContact CD2-CB 4.15Å; L1327-C1331 PolarHBondContact O-N 2.84Å; L1327-C1331 VanDerWaalsContact O-N 3.15Å; L1327-C1331 PolarHBondContact O-SG 3.22Å; L1327-C1331 VanDerWaalsContact O-SG 3.33Å; L1328-C1331 PolarHBondContact O-N 3.13Å; C1331-S1333 PolarHBondContact O-N 2.9Å; C1331-P1334 VanDerWaalsContact O-CD 3.28Å; C1331-P1334 WeakPolarHBondContact O-CD 3.48Å; C1331-L1335 HydrophobicContact CB-CD1 4.37Å; C1331-L1335 WeakPolarHBondContact O-CB 3.47Å; C1331-L1335 VanDerWaalsContact O-CG 3.24Å; C1331-L1335 WeakPolarHBondContact O-CG 3.37Å; C1331-L1335 PolarHBondContact O-N 3.13Å
1332L89.7Confident87Confident3 Ų327.5 Ų27.52%0.01614%0.144CC..Hα-helixtrans-57.6-45.4-174.7-88.3-177.3000114.1L1328 Y1329 L1336 L1353 K1410 I1411 I1414L1328-L1332 HydrophobicContact CD1-CD2 4.42Å; L1328-L1332 WeakPolarHBondContact O-CG 3.39Å; L1328-L1332 PolarHBondContact O-N 3.16Å; Y1329-L1332 HydrophobicContact CD2-CD1 4.19Å; Y1329-L1332 WeakPolarHBondContact O-CB 3.49Å; L1332-L1336 PolarHBondContact O-N 2.91Å; L1332-L1336 VanDerWaalsContact O-N 3.13Å; L1332-L1353 HydrophobicContact CD2-CD2 3.53Å; L1332-K1410 HydrophobicContact CD1-CB 3.83Å; L1332-K1410 HydrophobicContact CD1-CG 3.66Å; L1332-I1411 HydrophobicContact CD1-CG1 4.22Å; L1332-I1411 HydrophobicContact CD2-CG1 3.97Å; L1332-I1414 HydrophobicContact CB-CD1 3.43Å; L1332-I1414 VanDerWaalsContact CB-CD1 3.43Å; L1332-I1414 HydrophobicContact CD1-CD1 3.94Å; L1332-I1414 HydrophobicContact CD2-CD1 3.89Å; L1332-I1414 HydrophobicContact CG-CD1 3.92Å
1333S89.1Confident87.2Confident48 Ų4824.2 Ų24.234%0.33614%0.135SC..Hα-helixtrans-67.9-47.9178.4169.80000112.6C1331 L1335 L1336 R1337C1331-S1333 PolarHBondContact O-N 2.9Å; S1333-L1335 VanDerWaalsContact C-N 3.33Å; S1333-L1335 PolarHBondContact O-N 3.09Å; S1333-L1336 PolarHBondContact O-N 3.45Å; S1333-R1337 PolarHBondContact O-N 3.35Å; S1333-R1337 VanDerWaalsContact O-N 3.15Å; S1333-R1337 PolarHBondContact O-NE 2.94Å; S1333-R1337 PolarHBondContact OG-NE 3.1Å; S1333-R1337 PolarHBondContact OG-NH2 2.94Å
1334P90.1Very high87.5Confident0 Ų026.1 Ų26.10%015%0.148CC..Hα-helixtrans-55.4-42170.8-28.433.7000114.3L1285 D1286 S1289 E1330 C1331 L1336 R1337 L1338L1285-P1334 HydrophobicContact CB-CB 4.41Å; L1285-P1334 HydrophobicContact CD2-CB 3.85Å; L1285-P1334 HydrophobicContact CD2-CG 4.47Å; L1285-P1334 HydrophobicContact CG-CB 3.73Å; D1286-P1334 HydrophobicContact CB-CG 4.03Å; S1289-P1334 WeakPolarHBondContact CB-O 3.48Å; E1330-P1334 WeakPolarHBondContact O-CD 3.47Å; C1331-P1334 VanDerWaalsContact O-CD 3.28Å; C1331-P1334 WeakPolarHBondContact O-CD 3.48Å; P1334-L1336 PolarHBondContact O-N 3.27Å; P1334-R1337 PolarHBondContact O-N 3.03Å; P1334-L1338 PolarHBondContact O-N 2.93Å
1335L91.2Very high87.5Confident0 Ų025.6 Ų25.60%015%0.146CC..Hα-helixtrans-63.2-42.3178.5-74.3173.8000112.2L1285 I1308 L1311 C1331 S1333 R1337 L1338 G1339 I1349 L1352 L1353L1285-L1335 HydrophobicContact CD2-CD2 4.49Å; L1285-L1335 HydrophobicContact CD2-CG 4.37Å; I1308-L1335 HydrophobicContact CG1-CD2 4.09Å; L1311-L1335 HydrophobicContact CD2-CD1 4.12Å; L1311-L1335 HydrophobicContact CD2-CD2 4.1Å; L1311-L1335 HydrophobicContact CD2-CG 4.4Å; C1331-L1335 HydrophobicContact CB-CD1 4.37Å; C1331-L1335 WeakPolarHBondContact O-CB 3.47Å; C1331-L1335 VanDerWaalsContact O-CG 3.24Å; C1331-L1335 WeakPolarHBondContact O-CG 3.37Å; C1331-L1335 PolarHBondContact O-N 3.13Å; S1333-L1335 VanDerWaalsContact C-N 3.33Å; S1333-L1335 PolarHBondContact O-N 3.09Å; L1335-R1337 VanDerWaalsContact C-N 3.3Å; L1335-R1337 PolarHBondContact O-N 3.47Å; L1335-L1338 PolarHBondContact O-N 3.34Å; L1335-G1339 PolarHBondContact O-N 3.42Å; L1335-I1349 HydrophobicContact CB-CG2 3.99Å; L1335-I1349 HydrophobicContact CD2-CG1 4.33Å; L1335-I1349 HydrophobicContact CD2-CG2 4.34Å; L1335-I1349 WeakPolarHBondContact O-CD1 3.29Å; L1335-L1352 HydrophobicContact CD1-CD2 4.28Å; L1335-L1353 HydrophobicContact CD1-CD2 4.07Å
1336L88.5Confident87.6Confident25 Ų2525.9 Ų25.913%0.13115%0.149CC..Hα-helixtrans-59.2-44173.9-179.262.4000111.1L1332 S1333 P1334 G1339 S1340 I1414 K1417 L1418L1332-L1336 PolarHBondContact O-N 2.91Å; L1332-L1336 VanDerWaalsContact O-N 3.13Å; S1333-L1336 PolarHBondContact O-N 3.45Å; P1334-L1336 PolarHBondContact O-N 3.27Å; L1336-G1339 PolarHBondContact O-N 2.88Å; L1336-S1340 PolarHBondContact O-N 2.99Å; L1336-I1414 HydrophobicContact CB-CG2 4.13Å; L1336-I1414 HydrophobicContact CD1-CG2 4.37Å; L1336-K1417 HydrophobicContact CD1-CB 4Å; L1336-K1417 HydrophobicContact CD2-CB 4.1Å; L1336-K1417 HydrophobicContact CD2-CD 4.28Å; L1336-L1418 HydrophobicContact CD1-CB 3.83Å
1337R88.3Confident87.8Confident35 Ų3528.2 Ų28.213%0.13216%0.163CC..Hα-helixtrans-63.6-43.1178.8-73.5-179-93.6135.8-11.7112.2D1286 S1289 H1290 S1333 P1334 L1335 S1340 A1341D1286-R1337 IonicContact OD1-CZ 3.65Å; D1286-R1337 IonicContact OD1-NH1 3.14Å; D1286-R1337 PolarHBondContact OD1-NH1 3.27Å; D1286-R1337 IonicContact OD1-NH2 3.45Å; D1286-R1337 PolarHBondContact OD1-NH2 3.35Å; S1289-R1337 PolarHBondContact OG-NH1 2.97Å; H1290-R1337 PolarHBondContact CE1-NH1 3.43Å; H1290-R1337 PolarHBondContact ND1-NH1 3.43Å; S1333-R1337 PolarHBondContact O-N 3.35Å; S1333-R1337 VanDerWaalsContact O-N 3.15Å; S1333-R1337 PolarHBondContact O-NE 2.94Å; S1333-R1337 PolarHBondContact OG-NE 3.1Å; S1333-R1337 PolarHBondContact OG-NH2 2.94Å; P1334-R1337 PolarHBondContact O-N 3.03Å; L1335-R1337 VanDerWaalsContact C-N 3.3Å; L1335-R1337 PolarHBondContact O-N 3.47Å; R1337-S1340 WeakPolarHBondContact CA-OG 3.5Å; R1337-S1340 PolarHBondContact O-N 3.36Å; R1337-S1340 PolarHBondContact O-OG 3.06Å; R1337-A1341 WeakPolarHBondContact O-CB 3.46Å; R1337-A1341 PolarHBondContact O-N 3.02Å
1338L89.4Confident88Confident0 Ų030 Ų300%017%0.172CC..Hα-helixtrans-61.8-43173.9-73.8173.7000112.6L1285 V1288 A1292 A1304 I1308 P1334 L1335 S1340 A1341 F1342 I1349L1285-L1338 HydrophobicContact CD1-CD1 3.74Å; V1288-L1338 HydrophobicContact CG1-CD2 4.4Å; A1292-L1338 HydrophobicContact CB-CD2 3.96Å; A1304-L1338 HydrophobicContact CB-CD2 3.81Å; I1308-L1338 HydrophobicContact CD1-CD1 4.35Å; I1308-L1338 HydrophobicContact CG1-CD1 4.39Å; P1334-L1338 PolarHBondContact O-N 2.93Å; L1335-L1338 PolarHBondContact O-N 3.34Å; L1338-S1340 VanDerWaalsContact C-N 3.31Å; L1338-S1340 PolarHBondContact O-N 3.41Å; L1338-A1341 PolarHBondContact O-N 3.14Å; L1338-F1342 PolarHBondContact O-N 2.96Å; L1338-I1349 HydrophobicContact CB-CD1 4.31Å
1339G87Confident88Confident0 Ų030 Ų300%017%0.172CC..Hα-helixtrans-61.1-40.7174.800000112.1L1335 L1336 F1342 C1422L1335-G1339 PolarHBondContact O-N 3.42Å; L1336-G1339 PolarHBondContact O-N 2.88Å; G1339-F1342 CarbonylContact O-C 3.6Å; G1339-C1422 PolarHBondContact O-SG 3.31Å
1340S84.6Confident88.1Confident45 Ų4529.6 Ų29.632%0.31518%0.175SC..Hα-helixtrans-69.8-36.317872.70000113.5L1336 R1337 L1338L1336-S1340 PolarHBondContact O-N 2.99Å; R1337-S1340 WeakPolarHBondContact CA-OG 3.5Å; R1337-S1340 PolarHBondContact O-N 3.36Å; R1337-S1340 PolarHBondContact O-OG 3.06Å; L1338-S1340 VanDerWaalsContact C-N 3.31Å; L1338-S1340 PolarHBondContact O-N 3.41Å
1341A86.7Confident88.3Confident25 Ų2534.5 Ų34.521%0.20719%0.19CC..Hα-helixtrans-72.1-39.2176.100000111.7A1292 Q1293 R1337 L1338A1292-A1341 HydrophobicContact CB-CB 3.98Å; Q1293-A1341 HydrophobicContact CG-CB 4.17Å; R1337-A1341 WeakPolarHBondContact O-CB 3.46Å; R1337-A1341 PolarHBondContact O-N 3.02Å; L1338-A1341 PolarHBondContact O-N 3.14Å
1342F89Confident88.2Confident18 Ų1834.5 Ų34.58%0.07919%0.19CC..  trans-128.891.1-178.6-59.2-56.7000111.3A1292 N1296 T1300 L1301 A1304 L1338 G1339 N1344 L1345A1292-F1342 HydrophobicContact CB-CD2 4.25Å; A1292-F1342 HydrophobicContact CB-CE2 3.49Å; A1292-F1342 VanDerWaalsContact CB-CE2 3.49Å; A1292-F1342 HydrophobicContact CB-CZ 4.06Å; N1296-F1342 HydrophobicContact CB-CE1 4.2Å; T1300-F1342 WeakPolarHBondContact OG1-CZ 3.4Å; L1301-F1342 HydrophobicContact CB-CD1 4.23Å; L1301-F1342 HydrophobicContact CB-CD2 4.46Å; L1301-F1342 HydrophobicContact CB-CE1 4.01Å; L1301-F1342 HydrophobicContact CB-CE2 4.23Å; L1301-F1342 HydrophobicContact CB-CG 4.46Å; L1301-F1342 HydrophobicContact CB-CZ 4.02Å; L1301-F1342 HydrophobicContact CD1-CB 3.65Å; L1301-F1342 HydrophobicContact CD1-CD1 3.8Å; L1301-F1342 HydrophobicContact CD1-CD2 3.91Å; L1301-F1342 HydrophobicContact CD1-CE1 4.43Å; L1301-F1342 HydrophobicContact CD1-CG 3.51Å; A1304-F1342 HydrophobicContact CB-CD2 4.38Å; A1304-F1342 HydrophobicContact CB-CE2 4.4Å; L1338-F1342 PolarHBondContact O-N 2.96Å; G1339-F1342 CarbonylContact O-C 3.6Å; F1342-N1344 PolarHBondContact O-N 3.27Å; F1342-L1345 HydrophobicContact CB-CD1 3.9Å; F1342-L1345 HydrophobicContact CB-CG 4.02Å; F1342-L1345 HydrophobicContact CD2-CD1 4.01Å; F1342-L1345 HydrophobicContact CG-CD1 4.37Å; F1342-L1345 PolarHBondContact O-N 3.05Å
1343P84.5Confident88.2Confident70 Ų7034.4 Ų34.446%0.45519%0.19SC..G310 helixtrans-55.9-26.2-178.9-28.135.6000114.4L1345 A1346P1343-L1345 PolarHBondContact O-N 3.41Å; P1343-A1346 VanDerWaalsContact O-CB 3.22Å; P1343-A1346 WeakPolarHBondContact O-CB 3.46Å; P1343-A1346 PolarHBondContact O-N 3.23Å
1344N86.3Confident88.2Confident130 Ų13035.5 Ų35.570%0.69519%0.191SC*.G310 helixtrans-63.8-26.5176.5-63.7-14.1000113.4F1342 P1347F1342-N1344 PolarHBondContact O-N 3.27Å; N1344-P1347 WeakPolarHBondContact O-CD 3.35Å
1345L88.4Confident88.1Confident7 Ų736.9 Ų36.94%0.03720%0.201CC..G310 helixtrans-84.5-17.6177.9-61179.4000112.2L1301 A1304 A1305 I1308 F1342 P1343 I1348 I1349L1301-L1345 HydrophobicContact CD1-CD1 3.92Å; L1301-L1345 HydrophobicContact CD1-CD2 4.22Å; L1301-L1345 HydrophobicContact CD1-CG 3.91Å; A1304-L1345 HydrophobicContact CB-CD1 3.76Å; A1305-L1345 HydrophobicContact CB-CD2 3.77Å; I1308-L1345 HydrophobicContact CD1-CB 4.11Å; I1308-L1345 HydrophobicContact CD1-CD1 3.81Å; I1308-L1345 HydrophobicContact CD1-CD2 4.5Å; I1308-L1345 HydrophobicContact CD1-CG 4.37Å; F1342-L1345 HydrophobicContact CB-CD1 3.9Å; F1342-L1345 HydrophobicContact CB-CG 4.02Å; F1342-L1345 HydrophobicContact CD2-CD1 4.01Å; F1342-L1345 HydrophobicContact CG-CD1 4.37Å; F1342-L1345 PolarHBondContact O-N 3.05Å; P1343-L1345 PolarHBondContact O-N 3.41Å; L1345-I1348 HydrophobicContact CD2-CD1 4.1Å; L1345-I1348 WeakPolarHBondContact O-CA 3.28Å; L1345-I1348 WeakPolarHBondContact O-CB 3.48Å; L1345-I1348 PolarHBondContact O-N 3.46Å; L1345-I1349 HydrophobicContact CB-CD1 4.1Å; L1345-I1349 WeakPolarHBondContact O-CG1 3.35Å; L1345-I1349 PolarHBondContact O-N 3.12Å
1346A86.9Confident87.9Confident7 Ų736.9 Ų36.96%0.05820%0.201CC..Hα-helixtrans-54.7-43.1-176.400000113.7P1343 I1348 I1349 A1350 L1418 C1422P1343-A1346 VanDerWaalsContact O-CB 3.22Å; P1343-A1346 WeakPolarHBondContact O-CB 3.46Å; P1343-A1346 PolarHBondContact O-N 3.23Å; A1346-I1348 VanDerWaalsContact C-N 3.33Å; A1346-I1348 PolarHBondContact O-N 3.14Å; A1346-I1349 PolarHBondContact O-N 3.46Å; A1346-A1350 WeakPolarHBondContact O-CB 3.45Å; A1346-A1350 PolarHBondContact O-N 2.95Å; A1346-L1418 HydrophobicContact CB-CD2 3.78Å; A1346-L1418 HydrophobicContact CB-CG 4.29Å; A1346-C1422 HydrophobicContact CB-CB 3.81Å
1347P87.8Confident87.8Confident79 Ų7936 Ų3651%0.51320%0.198SC..Hα-helixtrans-65.8-33.3175-2033.1000113.5N1344 R1351N1344-P1347 WeakPolarHBondContact O-CD 3.35Å; P1347-R1351 WeakPolarHBondContact O-CG 3.33Å; P1347-R1351 PolarHBondContact O-N 3.06Å; P1347-R1351 VanDerWaalsContact O-N 3.11Å
1348I89.8Confident87.7Confident46 Ų4638.8 Ų38.824%0.23622%0.215CC..Hα-helixtrans-69-47.1178.2-52.8179.4000109.3I1308 L1345 A1346 A1350 R1351 L1352I1308-I1348 HydrophobicContact CG2-CG2 3.87Å; L1345-I1348 HydrophobicContact CD2-CD1 4.1Å; L1345-I1348 WeakPolarHBondContact O-CA 3.28Å; L1345-I1348 WeakPolarHBondContact O-CB 3.48Å; L1345-I1348 PolarHBondContact O-N 3.46Å; A1346-I1348 VanDerWaalsContact C-N 3.33Å; A1346-I1348 PolarHBondContact O-N 3.14Å; I1348-A1350 PolarHBondContact O-N 2.96Å; I1348-R1351 PolarHBondContact O-N 3.48Å; I1348-L1352 PolarHBondContact O-N 2.94Å
1349I89.9Confident87.5Confident0 Ų041.5 Ų41.50%023%0.229CC..Hα-helixtrans-61.4-45.1176.7-63166000110.5I1308 L1335 L1338 L1345 A1346 R1351 L1352 L1353 L1418I1308-I1349 HydrophobicContact CD1-CD1 3.85Å; I1308-I1349 HydrophobicContact CD1-CG1 3.71Å; I1308-I1349 HydrophobicContact CG1-CG1 4.32Å; I1308-I1349 HydrophobicContact CG2-CG1 4.24Å; L1335-I1349 HydrophobicContact CB-CG2 3.99Å; L1335-I1349 HydrophobicContact CD2-CG1 4.33Å; L1335-I1349 HydrophobicContact CD2-CG2 4.34Å; L1335-I1349 WeakPolarHBondContact O-CD1 3.29Å; L1338-I1349 HydrophobicContact CB-CD1 4.31Å; L1345-I1349 HydrophobicContact CB-CD1 4.1Å; L1345-I1349 WeakPolarHBondContact O-CG1 3.35Å; L1345-I1349 PolarHBondContact O-N 3.12Å; A1346-I1349 PolarHBondContact O-N 3.46Å; I1349-R1351 VanDerWaalsContact C-N 3.31Å; I1349-R1351 PolarHBondContact O-N 2.79Å; I1349-L1352 WeakPolarHBondContact O-CB 3.44Å; I1349-L1352 PolarHBondContact O-N 2.72Å; I1349-L1353 HydrophobicContact CG2-CD1 4.11Å; I1349-L1353 HydrophobicContact CG2-CG 4.24Å; I1349-L1353 WeakPolarHBondContact O-CG 3.27Å; I1349-L1353 PolarHBondContact O-N 3.4Å; I1349-L1418 HydrophobicContact CB-CD1 4.08Å; I1349-L1418 HydrophobicContact CG2-CD1 3.66Å
1350A87.4Confident87.4Confident18 Ų1841.7 Ų41.715%0.14923%0.23CC..Hα-helixtrans-58.3-42.417700000112.2A1346 I1348 L1353 L1354 L1415A1346-A1350 WeakPolarHBondContact O-CB 3.45Å; A1346-A1350 PolarHBondContact O-N 2.95Å; I1348-A1350 PolarHBondContact O-N 2.96Å; A1350-L1353 PolarHBondContact O-N 3.02Å; A1350-L1354 WeakPolarHBondContact O-CB 3.31Å; A1350-L1354 VanDerWaalsContact O-CG 3.29Å; A1350-L1354 WeakPolarHBondContact O-CG 3.39Å; A1350-L1354 PolarHBondContact O-N 2.72Å; A1350-L1415 HydrophobicContact CB-CD1 3.72Å
1351R89Confident87.3Confident168 Ų16840 Ų4063%0.63422%0.217SC*.Hα-helixtrans-63.1-43.9175-74.2-176.1-61.2173.55.3112.2P1347 I1348 I1349 L1354 S1355P1347-R1351 WeakPolarHBondContact O-CG 3.33Å; P1347-R1351 PolarHBondContact O-N 3.06Å; P1347-R1351 VanDerWaalsContact O-N 3.11Å; I1348-R1351 PolarHBondContact O-N 3.48Å; I1349-R1351 VanDerWaalsContact C-N 3.31Å; I1349-R1351 PolarHBondContact O-N 2.79Å; R1351-L1354 PolarHBondContact O-N 2.81Å; R1351-S1355 WeakPolarHBondContact O-CB 3.19Å; R1351-S1355 PolarHBondContact O-N 3.24Å; R1351-S1355 PolarHBondContact O-OG 3.44Å
1352L89.2Confident87.1Confident1 Ų143.2 Ų43.21%0.00524%0.238CC..Hα-helixtrans-58.2-50.4175.4178.9163.3000111I1308 L1311 Y1312 L1315 L1328 L1335 I1348 I1349 L1354 S1355 V1356I1308-L1352 HydrophobicContact CG2-CD1 4Å; L1311-L1352 HydrophobicContact CB-CD1 4.49Å; L1311-L1352 HydrophobicContact CD2-CD1 4.29Å; L1311-L1352 HydrophobicContact CG-CD1 4.42Å; Y1312-L1352 HydrophobicContact CD2-CB 3.93Å; Y1312-L1352 HydrophobicContact CD2-CD1 4.43Å; Y1312-L1352 HydrophobicContact CD2-CG 3.94Å; L1315-L1352 HydrophobicContact CD1-CD2 4.2Å; L1328-L1352 HydrophobicContact CD1-CD2 4.29Å; L1335-L1352 HydrophobicContact CD1-CD2 4.28Å; I1348-L1352 PolarHBondContact O-N 2.94Å; I1349-L1352 WeakPolarHBondContact O-CB 3.44Å; I1349-L1352 PolarHBondContact O-N 2.72Å; L1352-L1354 VanDerWaalsContact C-N 3.33Å; L1352-L1354 PolarHBondContact O-N 2.87Å; L1352-S1355 PolarHBondContact O-N 3.24Å; L1352-S1355 PolarHBondContact O-OG 3.15Å; L1352-S1355 VanDerWaalsContact O-OG 3.07Å; L1352-V1356 HydrophobicContact CD2-CG2 4.36Å; L1352-V1356 WeakPolarHBondContact O-CB 3.33Å; L1352-V1356 VanDerWaalsContact O-CG2 3.3Å; L1352-V1356 WeakPolarHBondContact O-CG2 3.46Å; L1352-V1356 PolarHBondContact O-N 2.78Å
1353L89.6Confident86.7Confident0 Ų044.6 Ų44.60%025%0.248CC..Hα-helixtrans-61-41.5-179.1-69.8-177.3000112L1328 L1332 L1335 I1349 A1350 G1357 I1411 I1414L1328-L1353 HydrophobicContact CD1-CD2 3.97Å; L1332-L1353 HydrophobicContact CD2-CD2 3.53Å; L1335-L1353 HydrophobicContact CD1-CD2 4.07Å; I1349-L1353 HydrophobicContact CG2-CD1 4.11Å; I1349-L1353 HydrophobicContact CG2-CG 4.24Å; I1349-L1353 WeakPolarHBondContact O-CG 3.27Å; I1349-L1353 PolarHBondContact O-N 3.4Å; A1350-L1353 PolarHBondContact O-N 3.02Å; L1353-G1357 WeakPolarHBondContact O-CA 3.22Å; L1353-G1357 PolarHBondContact O-N 3.39Å; L1353-I1411 HydrophobicContact CB-CG2 3.99Å; L1353-I1414 HydrophobicContact CD1-CG2 4.15Å
1354L88.4Confident86.5Confident71 Ų7141.8 Ų41.837%0.37223%0.229SC..Hα-helixtrans-69.6-44.9178.5-71.5171.5000112.3A1350 R1351 L1352 G1357 L1358 L1415A1350-L1354 WeakPolarHBondContact O-CB 3.31Å; A1350-L1354 VanDerWaalsContact O-CG 3.29Å; A1350-L1354 WeakPolarHBondContact O-CG 3.39Å; A1350-L1354 PolarHBondContact O-N 2.72Å; R1351-L1354 PolarHBondContact O-N 2.81Å; L1352-L1354 VanDerWaalsContact C-N 3.33Å; L1352-L1354 PolarHBondContact O-N 2.87Å; L1354-G1357 PolarHBondContact O-N 3.45Å; L1354-L1358 VanDerWaalsContact O-CG 3.29Å; L1354-L1358 WeakPolarHBondContact O-CG 3.39Å; L1354-L1358 PolarHBondContact O-N 3.16Å; L1354-L1415 HydrophobicContact CD2-CD2 4.07Å
1355S88.3Confident86Confident30 Ų3038 Ų3821%0.2121%0.213CC..Hα-helixtrans-66.9-45.4-178.7640000112.1Y1312 R1351 L1352 G1357 L1358 M1359Y1312-S1355 WeakPolarHBondContact CE2-OG 3.33Å; R1351-S1355 WeakPolarHBondContact O-CB 3.19Å; R1351-S1355 PolarHBondContact O-N 3.24Å; R1351-S1355 PolarHBondContact O-OG 3.44Å; L1352-S1355 PolarHBondContact O-N 3.24Å; L1352-S1355 PolarHBondContact O-OG 3.15Å; L1352-S1355 VanDerWaalsContact O-OG 3.07Å; S1355-G1357 VanDerWaalsContact C-N 3.34Å; S1355-L1358 PolarHBondContact O-N 3.39Å; S1355-M1359 WeakPolarHBondContact O-CG 3.48Å; S1355-M1359 PolarHBondContact O-N 3.39Å; S1355-M1359 VanDerWaalsContact O-N 3.12Å
1356V86.8Confident85.3Confident0 Ų044.1 Ų44.10%025%0.245CC..Hα-helixtrans-70.6-36.5178.3-175.10000109.9L1315 T1316 R1324 L1328 L1352 L1358 M1359 I1360L1315-V1356 HydrophobicContact CB-CG1 4.24Å; L1315-V1356 HydrophobicContact CB-CG2 3.95Å; L1315-V1356 HydrophobicContact CD1-CG1 4.46Å; L1315-V1356 HydrophobicContact CD1-CG2 4.25Å; T1316-V1356 HydrophobicContact CG2-CG2 4.14Å; R1324-V1356 HydrophobicContact CG-CG1 4.06Å; L1328-V1356 HydrophobicContact CD2-CB 4.2Å; L1328-V1356 HydrophobicContact CD2-CG1 3.71Å; L1352-V1356 HydrophobicContact CD2-CG2 4.36Å; L1352-V1356 WeakPolarHBondContact O-CB 3.33Å; L1352-V1356 VanDerWaalsContact O-CG2 3.3Å; L1352-V1356 WeakPolarHBondContact O-CG2 3.46Å; L1352-V1356 PolarHBondContact O-N 2.78Å; V1356-L1358 PolarHBondContact O-N 3.29Å; V1356-M1359 WeakPolarHBondContact O-CB 3.46Å; V1356-M1359 PolarHBondContact O-N 2.97Å; V1356-I1360 HydrophobicContact CG1-CD1 4.17Å; V1356-I1360 WeakPolarHBondContact O-CG1 3.36Å; V1356-I1360 PolarHBondContact O-N 3.44Å
1357G86.4Confident84.6Confident7 Ų749.7 Ų49.77%0.07227%0.274CS..Hα-helixtrans-57.3-45.5171.100000112.6L1353 L1354 S1355 M1359 I1360 N1361 L1408L1353-G1357 WeakPolarHBondContact O-CA 3.22Å; L1353-G1357 PolarHBondContact O-N 3.39Å; L1354-G1357 PolarHBondContact O-N 3.45Å; S1355-G1357 VanDerWaalsContact C-N 3.34Å; G1357-M1359 VanDerWaalsContact C-N 3.33Å; G1357-M1359 PolarHBondContact O-N 3.42Å; G1357-I1360 PolarHBondContact O-N 2.86Å; G1357-N1361 VanDerWaalsContact O-CB 3.3Å; G1357-N1361 WeakPolarHBondContact O-CB 3.49Å; G1357-N1361 PolarHBondContact O-N 2.99Å; G1357-L1408 VanDerWaalsContact O-CD2 3.3Å; G1357-L1408 WeakPolarHBondContact O-CD2 3.45Å
1358L86.3Confident83.7Confident92 Ų9246.6 Ų46.648%0.48226%0.255SS..Hα-helixtrans-62.2-39.8175.2-73.1171.6000112.3L1354 S1355 V1356 N1361 S1362 L1434L1354-L1358 VanDerWaalsContact O-CG 3.29Å; L1354-L1358 WeakPolarHBondContact O-CG 3.39Å; L1354-L1358 PolarHBondContact O-N 3.16Å; S1355-L1358 PolarHBondContact O-N 3.39Å; V1356-L1358 PolarHBondContact O-N 3.29Å; L1358-N1361 PolarHBondContact O-N 3.23Å; L1358-S1362 PolarHBondContact O-N 3.22Å; L1358-L1434 HydrophobicContact CD2-CD2 4.34Å
1359M85.1Confident82.7Confident58 Ų5846.5 Ų46.529%0.28625%0.251SS..Hα-helixtrans-62.2-43.9174.5-68177.171.700111.8T1316 S1355 V1356 G1357 S1362T1316-M1359 HydrophobicContact CG2-SD 3.93Å; S1355-M1359 WeakPolarHBondContact O-CG 3.48Å; S1355-M1359 PolarHBondContact O-N 3.39Å; S1355-M1359 VanDerWaalsContact O-N 3.12Å; V1356-M1359 WeakPolarHBondContact O-CB 3.46Å; V1356-M1359 PolarHBondContact O-N 2.97Å; G1357-M1359 VanDerWaalsContact C-N 3.33Å; G1357-M1359 PolarHBondContact O-N 3.42Å; M1359-S1362 PolarHBondContact O-N 3.07Å; M1359-S1362 PolarHBondContact O-OG 2.88Å
1360I84.8Confident81.8Confident4 Ų449.6 Ų49.62%0.02127%0.273CS..Hα-helixtrans-64.5-43.6176.1-66.1168.3000110.1R1324 L1328 V1356 G1357 S1362 T1363 N1404 L1408R1324-I1360 HydrophobicContact CG-CG1 4.48Å; L1328-I1360 HydrophobicContact CD2-CD1 3.73Å; V1356-I1360 HydrophobicContact CG1-CD1 4.17Å; V1356-I1360 WeakPolarHBondContact O-CG1 3.36Å; V1356-I1360 PolarHBondContact O-N 3.44Å; G1357-I1360 PolarHBondContact O-N 2.86Å; I1360-S1362 PolarHBondContact O-N 3.45Å; I1360-T1363 PolarHBondContact O-N 2.85Å; I1360-T1363 PolarHBondContact O-OG1 2.93Å; I1360-N1404 HydrophobicContact CG2-CB 3.57Å; I1360-L1408 HydrophobicContact CB-CD2 4.41Å; I1360-L1408 HydrophobicContact CG2-CD1 4.07Å; I1360-L1408 HydrophobicContact CG2-CD2 4.43Å; I1360-L1408 HydrophobicContact CG2-CG 4.04Å
1361N82.8Confident81Confident10 Ų1054 Ų545%0.05329%0.291CS..Hα-helixtrans-62.5-28179.1-169.333.6000113.2G1357 L1358 T1363 L1364 R1369 L1408G1357-N1361 VanDerWaalsContact O-CB 3.3Å; G1357-N1361 WeakPolarHBondContact O-CB 3.49Å; G1357-N1361 PolarHBondContact O-N 2.99Å; L1358-N1361 PolarHBondContact O-N 3.23Å; N1361-T1363 PolarHBondContact O-N 2.81Å; N1361-L1364 PolarHBondContact O-N 2.92Å; N1361-R1369 PolarHBondContact ND2-NH1 2.7Å; N1361-R1369 PolarHBondContact O-NH1 3.41Å; N1361-R1369 PolarHBondContact OD1-NH1 2.87Å; N1361-L1408 HydrophobicContact CB-CD1 4.01Å; N1361-L1408 HydrophobicContact CB-CD2 4.39Å
1362S81.9Confident80Confident92 Ų9246.4 Ų46.464%0.64326%0.262SS*.THydrogen-bonded Turntrans-71.1-15.5174.975.30000114.1L1358 M1359 I1360L1358-S1362 PolarHBondContact O-N 3.22Å; M1359-S1362 PolarHBondContact O-N 3.07Å; M1359-S1362 PolarHBondContact O-OG 2.88Å; I1360-S1362 PolarHBondContact O-N 3.45Å
1363T81.4Confident79Confident46 Ų4649.4 Ų49.428%0.28227%0.274SS..THydrogen-bonded Turntrans-94.3-10.817966.40000113.3V1321 I1360 N1361 N1404V1321-T1363 HydrophobicContact CG1-CG2 3.54Å; I1360-T1363 PolarHBondContact O-N 2.85Å; I1360-T1363 PolarHBondContact O-OG1 2.93Å; N1361-T1363 PolarHBondContact O-N 2.81Å; T1363-N1404 PolarHBondContact OG1-ND2 3.28Å
1364L79.7Confident77.8Confident11 Ų1153.4 Ų53.46%0.05830%0.301CS..SBendtrans-75.6144.5176.3-72.3174.6000110.9N1361 R1369 L1372 N1401 N1404 L1408N1361-L1364 PolarHBondContact O-N 2.92Å; L1364-R1369 HydrophobicContact CB-CG 3.84Å; L1364-L1372 HydrophobicContact CD1-CD1 3.53Å; L1364-N1401 HydrophobicContact CD2-CB 4.35Å; L1364-N1401 WeakPolarHBondContact CD2-O 3.02Å; L1364-N1404 HydrophobicContact CD2-CB 3.75Å; L1364-N1404 HydrophobicContact CG-CB 4.29Å; L1364-L1408 HydrophobicContact CD1-CD1 3.53Å
1365S75.9Confident76.6Confident51 Ų5153.6 Ų53.636%0.35730%0.3SS..  trans-66.7154.9168.556.50000111.2D1367 S1368 R1369S1365-D1367 VanDerWaalsContact C-N 3.25Å; S1365-D1367 PolarHBondContact O-N 3.38Å; S1365-S1368 PolarHBondContact O-N 2.96Å; S1365-S1368 VanDerWaalsContact O-N 3.1Å; S1365-S1368 PolarHBondContact OG-OG 2.89Å; S1365-S1368 VanDerWaalsContact OG-OG 3.05Å; S1365-R1369 WeakPolarHBondContact O-CG 3.49Å; S1365-R1369 PolarHBondContact O-N 2.99Å
1366D74Confident75.5Confident135 Ų13553.7 Ų53.772%0.72230%0.298SS*.Hα-helixtrans-57-38.2-179.6-72.4-32000112.6R1369 S1370D1366-R1369 PolarHBondContact O-N 3.32Å; D1366-S1370 PolarHBondContact O-N 3.16Å; D1366-S1370 VanDerWaalsContact O-N 3.11Å
1367D71.6Confident74.3Confident124 Ų12460.5 Ų60.566%0.66333%0.33SS*.Hα-helixtrans-61.1-48.5175.1-72.4-16.4000111.5S1365 R1369 S1370 Q1371S1365-D1367 VanDerWaalsContact C-N 3.25Å; S1365-D1367 PolarHBondContact O-N 3.38Å; D1367-R1369 VanDerWaalsContact C-N 3.34Å; D1367-R1369 PolarHBondContact O-N 3.37Å; D1367-S1370 PolarHBondContact O-N 3.23Å; D1367-S1370 PolarHBondContact O-OG 3.39Å; D1367-Q1371 PolarHBondContact O-N 2.93Å; D1367-Q1371 VanDerWaalsContact O-N 3.14Å
1368S69.6Low73.1Confident15 Ų1564 Ų6411%0.10535%0.35CS..Hα-helixtrans-65.2-36.7178.5-61.50000112.1S1365 S1370 Q1371 L1372S1365-S1368 PolarHBondContact O-N 2.96Å; S1365-S1368 VanDerWaalsContact O-N 3.1Å; S1365-S1368 PolarHBondContact OG-OG 2.89Å; S1365-S1368 VanDerWaalsContact OG-OG 3.05Å; S1368-S1370 VanDerWaalsContact C-N 3.29Å; S1368-S1370 PolarHBondContact O-N 3.45Å; S1368-Q1371 PolarHBondContact O-N 2.74Å; S1368-L1372 VanDerWaalsContact O-CB 3.32Å; S1368-L1372 WeakPolarHBondContact O-CB 3.32Å; S1368-L1372 PolarHBondContact O-N 3.03Å
1369R69.7Low71.6Confident43 Ų4362.3 Ų62.316%0.16234%0.341CS..Hα-helixtrans-58.6-43.2173.7-71.7171.958.989.50.4111N1361 L1364 S1365 D1366 D1367 L1372 Y1373N1361-R1369 PolarHBondContact ND2-NH1 2.7Å; N1361-R1369 PolarHBondContact O-NH1 3.41Å; N1361-R1369 PolarHBondContact OD1-NH1 2.87Å; L1364-R1369 HydrophobicContact CB-CG 3.84Å; S1365-R1369 WeakPolarHBondContact O-CG 3.49Å; S1365-R1369 PolarHBondContact O-N 2.99Å; D1366-R1369 PolarHBondContact O-N 3.32Å; D1367-R1369 VanDerWaalsContact C-N 3.34Å; D1367-R1369 PolarHBondContact O-N 3.37Å; R1369-L1372 PolarHBondContact O-N 3.42Å; R1369-Y1373 WeakPolarHBondContact O-CD2 3.48Å; R1369-Y1373 PolarHBondContact O-N 3.24Å
1370S70Confident69.9Low66 Ų6664.7 Ų64.746%0.46235%0.347SS..Hα-helixtrans-65.4-40.8178.777.20000113D1366 D1367 S1368 Y1373 C1374D1366-S1370 PolarHBondContact O-N 3.16Å; D1366-S1370 VanDerWaalsContact O-N 3.11Å; D1367-S1370 PolarHBondContact O-N 3.23Å; D1367-S1370 PolarHBondContact O-OG 3.39Å; S1368-S1370 VanDerWaalsContact C-N 3.29Å; S1368-S1370 PolarHBondContact O-N 3.45Å; S1370-Y1373 WeakPolarHBondContact O-CB 3.39Å; S1370-Y1373 PolarHBondContact O-N 3.11Å; S1370-C1374 PolarHBondContact O-N 3.14Å
1371Q69.7Low68.4Low111 Ų11168.7 Ų68.752%0.51938%0.375SS..Hα-helixtrans-64-43.3175-71.9-178.5-16.300111.9D1367 S1368 Y1373 C1374 Q1375D1367-Q1371 PolarHBondContact O-N 2.93Å; D1367-Q1371 VanDerWaalsContact O-N 3.14Å; S1368-Q1371 PolarHBondContact O-N 2.74Å; Q1371-Y1373 VanDerWaalsContact C-N 3.32Å; Q1371-Y1373 PolarHBondContact O-N 3.37Å; Q1371-C1374 WeakPolarHBondContact O-CB 3.46Å; Q1371-C1374 PolarHBondContact O-N 2.66Å; Q1371-C1374 VanDerWaalsContact O-N 3.12Å; Q1371-Q1375 PolarHBondContact O-N 3.4Å
1372L68Low66.7Low7 Ų772.9 Ų72.94%0.03740%0.398CS..Hα-helixtrans-60.9-41.2177.5-160.7162.9000111.1L1364 S1368 R1369 C1374 Q1375 L1376 E1405 L1408L1364-L1372 HydrophobicContact CD1-CD1 3.53Å; S1368-L1372 VanDerWaalsContact O-CB 3.32Å; S1368-L1372 WeakPolarHBondContact O-CB 3.32Å; S1368-L1372 PolarHBondContact O-N 3.03Å; R1369-L1372 PolarHBondContact O-N 3.42Å; L1372-C1374 VanDerWaalsContact C-N 3.35Å; L1372-C1374 PolarHBondContact O-N 3.04Å; L1372-Q1375 PolarHBondContact O-N 3.09Å; L1372-L1376 HydrophobicContact CD2-CD1 3.33Å; L1372-L1376 HydrophobicContact CD2-CG 3.74Å; L1372-L1376 WeakPolarHBondContact O-CB 3.35Å; L1372-L1376 WeakPolarHBondContact O-CG 3.3Å; L1372-L1376 PolarHBondContact O-N 3.19Å; L1372-E1405 HydrophobicContact CB-CG 4.27Å; L1372-E1405 HydrophobicContact CD1-CB 4.22Å; L1372-E1405 HydrophobicContact CD1-CG 3.91Å; L1372-E1405 HydrophobicContact CG-CG 4.01Å; L1372-L1408 HydrophobicContact CD1-CB 3.9Å; L1372-L1408 HydrophobicContact CD1-CD1 3.53Å; L1372-L1408 HydrophobicContact CD1-CG 4.37Å
1373Y68.7Low64.9Low65 Ų6573 Ų7326%0.25540%0.398SS..Hα-helixtrans-57.4-45.4172.7-81.9-61.6000112.3R1369 S1370 Q1371 L1376 E1377 L1434 N1436R1369-Y1373 WeakPolarHBondContact O-CD2 3.48Å; R1369-Y1373 PolarHBondContact O-N 3.24Å; S1370-Y1373 WeakPolarHBondContact O-CB 3.39Å; S1370-Y1373 PolarHBondContact O-N 3.11Å; Q1371-Y1373 VanDerWaalsContact C-N 3.32Å; Q1371-Y1373 PolarHBondContact O-N 3.37Å; Y1373-L1376 PolarHBondContact O-N 3.31Å; Y1373-E1377 PolarHBondContact O-N 2.94Å; Y1373-E1377 VanDerWaalsContact O-N 3.17Å; Y1373-L1434 HydrophobicContact CE1-CB 3.77Å; Y1373-L1434 WeakPolarHBondContact CE1-O 3.27Å; Y1373-N1436 PolarHBondContact OH-N 2.98Å
1374C63.9Low63Low84 Ų8481.3 Ų81.357%0.56843%0.426SS*.Hα-helixtrans-63-41.2175.7-68.10000112.5S1370 Q1371 L1372 E1377 T1378S1370-C1374 PolarHBondContact O-N 3.14Å; Q1371-C1374 WeakPolarHBondContact O-CB 3.46Å; Q1371-C1374 PolarHBondContact O-N 2.66Å; Q1371-C1374 VanDerWaalsContact O-N 3.12Å; L1372-C1374 VanDerWaalsContact C-N 3.35Å; L1372-C1374 PolarHBondContact O-N 3.04Å; C1374-E1377 PolarHBondContact O-N 2.78Å; C1374-T1378 PolarHBondContact O-N 3.45Å
1375Q65.2Low61.2Low75 Ų7584.1 Ų84.135%0.3545%0.447SS..Hα-helixtrans-70-34.5178.4-69.2-176.624.400113.3Q1371 L1372 E1377 T1378 L1379 E1405 L1409Q1371-Q1375 PolarHBondContact O-N 3.4Å; L1372-Q1375 PolarHBondContact O-N 3.09Å; Q1375-E1377 VanDerWaalsContact C-N 3.31Å; Q1375-E1377 PolarHBondContact O-N 3.4Å; Q1375-T1378 WeakPolarHBondContact CA-OG1 3.33Å; Q1375-T1378 PolarHBondContact O-N 2.97Å; Q1375-T1378 PolarHBondContact O-OG1 3.07Å; Q1375-L1379 WeakPolarHBondContact O-CG 3.34Å; Q1375-L1379 PolarHBondContact O-N 3.26Å; Q1375-E1405 VanDerWaalsContact CD-OE1 3.26Å; Q1375-E1405 PolarHBondContact NE2-OE1 3.5Å; Q1375-E1405 PolarHBondContact OE1-OE1 3.22Å; Q1375-L1409 HydrophobicContact CB-CD2 3.95Å
1376L64.3Low59.5Low31 Ų3187.8 Ų87.816%0.16246%0.462CS..Hα-helixtrans-66.2-34.7173.6-78.9175000112L1372 Y1373 R1380 L1409 M1412 L1434L1372-L1376 HydrophobicContact CD2-CD1 3.33Å; L1372-L1376 HydrophobicContact CD2-CG 3.74Å; L1372-L1376 WeakPolarHBondContact O-CB 3.35Å; L1372-L1376 WeakPolarHBondContact O-CG 3.3Å; L1372-L1376 PolarHBondContact O-N 3.19Å; Y1373-L1376 PolarHBondContact O-N 3.31Å; L1376-R1380 PolarHBondContact O-N 3.45Å; L1376-L1409 HydrophobicContact CD2-CD2 3.83Å; L1376-L1409 HydrophobicContact CG-CD2 3.93Å; L1376-M1412 HydrophobicContact CD2-CB 3.78Å; L1376-M1412 HydrophobicContact CD2-CG 3.83Å; L1376-L1434 HydrophobicContact CD1-CD1 3.83Å
1377E62.1Low57.8Low143 Ų14385.9 Ų85.967%0.66845%0.452SS*.Hα-helixtrans-66-38.5173-74.3-162.4153.400112.4Y1373 C1374 Q1375 R1380Y1373-E1377 PolarHBondContact O-N 2.94Å; Y1373-E1377 VanDerWaalsContact O-N 3.17Å; C1374-E1377 PolarHBondContact O-N 2.78Å; Q1375-E1377 VanDerWaalsContact C-N 3.31Å; Q1375-E1377 PolarHBondContact O-N 3.4Å; E1377-R1380 VanDerWaalsContact O-CB 3.26Å; E1377-R1380 WeakPolarHBondContact O-CB 3.46Å; E1377-R1380 PolarHBondContact O-N 3.04Å
1378T60.8Low56.4Low80 Ų8087 Ų8749%0.49146%0.458SS..Hα-helixtrans-71.3-36.4176.260.60000112.9C1374 Q1375 R1380 S1381 N1382C1374-T1378 PolarHBondContact O-N 3.45Å; Q1375-T1378 WeakPolarHBondContact CA-OG1 3.33Å; Q1375-T1378 PolarHBondContact O-N 2.97Å; Q1375-T1378 PolarHBondContact O-OG1 3.07Å; T1378-R1380 PolarHBondContact O-N 2.92Å; T1378-S1381 PolarHBondContact O-N 3.48Å; T1378-S1381 VanDerWaalsContact O-N 3.16Å; T1378-S1381 PolarHBondContact O-OG 3Å; T1378-N1382 PolarHBondContact O-N 3.15Å
1379L53.8Low55.1Low57 Ų5793.6 Ų93.630%0.29849%0.487SS..Hα-helixtrans-62.2-28.5171.8-76175.7000112.3Q1375 S1381 N1382 L1409Q1375-L1379 WeakPolarHBondContact O-CG 3.34Å; Q1375-L1379 PolarHBondContact O-N 3.26Å; L1379-S1381 VanDerWaalsContact C-N 3.32Å; L1379-S1381 PolarHBondContact O-N 2.94Å; L1379-N1382 PolarHBondContact O-N 3.42Å; L1379-L1409 HydrophobicContact CD1-CB 4.21Å; L1379-L1409 HydrophobicContact CD1-CD2 3.74Å
1380R51Low53.9Low108 Ų10895.5 Ų95.541%0.40850%0.499SS..Hα-helixtrans-66.4-32.1176-149.3-176-155.6164.612.7112.6L1376 E1377 T1378 T1431L1376-R1380 PolarHBondContact O-N 3.45Å; E1377-R1380 VanDerWaalsContact O-CB 3.26Å; E1377-R1380 WeakPolarHBondContact O-CB 3.46Å; E1377-R1380 PolarHBondContact O-N 3.04Å; T1378-R1380 PolarHBondContact O-N 2.92Å; R1380-T1431 PolarHBondContact NE-OG1 2.92Å; R1380-T1431 PolarHBondContact NH2-O 3.35Å; R1380-T1431 PolarHBondContact NH2-OG1 3.25Å
1381S52.5Low52.9Low89 Ų8998 Ų9862%0.62251%0.507SS*.Hα-helixtrans-81.3-25.7177.465.90000113.3T1378 L1379T1378-S1381 PolarHBondContact O-N 3.48Å; T1378-S1381 VanDerWaalsContact O-N 3.16Å; T1378-S1381 PolarHBondContact O-OG 3Å; L1379-S1381 VanDerWaalsContact C-N 3.32Å; L1379-S1381 PolarHBondContact O-N 2.94Å
1382N46.4Very low52Low97 Ų9796.8 Ų96.852%0.51950%0.504SS..  trans-109.342.8-170.2-67.5-5.5000113.3T1378 L1379 Y1384 S1385T1378-N1382 PolarHBondContact O-N 3.15Å; L1379-N1382 PolarHBondContact O-N 3.42Å; N1382-Y1384 PolarHBondContact O-N 3.37Å; N1382-S1385 PolarHBondContact O-N 3.16Å
1383S44.7Very low51.2Low94 Ų94104.1 Ų104.166%0.65754%0.538SS*.THydrogen-bonded Turntrans-63.413.6-172.567.90000116.9
1384Y41.8Very low50.6Low222 Ų222104.9 Ų104.987%0.87155%0.546SS*.THydrogen-bonded Turntrans-125.9-1.1-177.4-77.6-77.5000115.8N1382N1382-Y1384 PolarHBondContact O-N 3.37Å
1385S40.7Very low50.1Low69 Ų69101.3 Ų101.348%0.48352%0.522SS..  trans-90111.9173.559.80000110.9N1382 N1387N1382-S1385 PolarHBondContact O-N 3.16Å; S1385-N1387 PolarHBondContact O-N 3.19Å; S1385-N1387 PolarHBondContact OG-OD1 3.07Å
1386D40.3Very low49.8Very low128 Ų128103.9 Ų103.968%0.68454%0.536SS*.  trans-62.590.8162.8-88.1-38.3000108.1N1388 K1417D1386-N1388 PolarHBondContact O-N 2.86Å; D1386-K1417 IonicContact OD1-NZ 3.51Å; D1386-K1417 PolarHBondContact OD1-NZ 3.38Å; D1386-K1417 VanDerWaalsContact OD1-NZ 3.16Å
1387N39.8Very low49.6Very low96 Ų96110.2 Ų110.251%0.51357%0.565SS.*  trans-60.8113.1174.1-74.7-4.9000108.2S1385 Q1389S1385-N1387 PolarHBondContact O-N 3.19Å; S1385-N1387 PolarHBondContact OG-OD1 3.07Å; N1387-Q1389 PolarHBondContact O-N 3.41Å
1388N40.6Very low49.8Very low147 Ų147106.1 Ų106.179%0.78655%0.547SS*.  trans-38.8129.2175.2-70.7-20.3000110.2D1386 M1390D1386-N1388 PolarHBondContact O-N 2.86Å; N1388-M1390 PolarHBondContact O-N 3.33Å
1389Q44.1Very low50.4Low154 Ų154106 Ų10672%0.7255%0.547SS*.  trans-54.9115.6170.1-77.1177.3-37.600107.5N1387 D1391N1387-Q1389 PolarHBondContact O-N 3.41Å; Q1389-D1391 PolarHBondContact O-N 3Å
1390M43.7Very low51.3Low83 Ų83106.4 Ų106.441%0.40955%0.549SS..  trans-65.6132.1168.9-103.5-68.889.200108.6N1388 N1392 L1394 F1406N1388-M1390 PolarHBondContact O-N 3.33Å; M1390-N1392 PolarHBondContact O-N 2.94Å; M1390-L1394 HydrophobicContact CE-CD1 4.39Å; M1390-L1394 HydrophobicContact SD-CB 4.27Å; M1390-L1394 HydrophobicContact SD-CD1 3.87Å; M1390-L1394 HydrophobicContact SD-CD2 4.42Å; M1390-L1394 HydrophobicContact SD-CG 4.41Å; M1390-F1406 HydrophobicContact CB-CE1 4.43Å; M1390-F1406 HydrophobicContact CB-CZ 4.08Å; M1390-F1406 HydrophobicContact CG-CZ 4.47Å
1391D49.8Very low52.5Low117 Ų117104 Ų10463%0.62654%0.544SS*.  trans-57.2134.1180-92.6-31.6000110.6Q1389 Q1393 L1394Q1389-D1391 PolarHBondContact O-N 3Å; D1391-Q1393 PolarHBondContact O-N 2.94Å; D1391-L1394 WeakPolarHBondContact O-CB 3.24Å; D1391-L1394 PolarHBondContact O-N 3.48Å
1392N51Low53.6Low86 Ų86104.1 Ų104.146%0.4654%0.535SS..THydrogen-bonded Turntrans-56.2-25.3-176.2-71.5-12.8000113.4M1390 M1395M1390-N1392 PolarHBondContact O-N 2.94Å; N1392-M1395 PolarHBondContact O-N 2.84Å
1393Q50.7Low55.1Low162 Ų162101.5 Ų101.576%0.75752%0.517SS*.THydrogen-bonded Turntrans-67.8-36.4176.1-78.9-178.3-2200112.5D1391 M1395 I1396D1391-Q1393 PolarHBondContact O-N 2.94Å; Q1393-M1395 VanDerWaalsContact C-N 3.28Å; Q1393-M1395 PolarHBondContact O-N 3.44Å; Q1393-I1396 PolarHBondContact O-N 2.97Å
1394L55Low56.8Low80 Ų8097 Ų9742%0.41949%0.486SS..Hα-helixtrans-66.9-30.8177.9-109.4136.5000111.8M1390 D1391 I1396 E1397 L1398M1390-L1394 HydrophobicContact CE-CD1 4.39Å; M1390-L1394 HydrophobicContact SD-CB 4.27Å; M1390-L1394 HydrophobicContact SD-CD1 3.87Å; M1390-L1394 HydrophobicContact SD-CD2 4.42Å; M1390-L1394 HydrophobicContact SD-CG 4.41Å; D1391-L1394 WeakPolarHBondContact O-CB 3.24Å; D1391-L1394 PolarHBondContact O-N 3.48Å; L1394-I1396 PolarHBondContact O-N 3.23Å; L1394-E1397 PolarHBondContact O-N 3.17Å; L1394-E1397 VanDerWaalsContact O-N 3.16Å; L1394-L1398 PolarHBondContact O-N 3.41Å
1395M53.6Low58.5Low10 Ų1087.4 Ų87.45%0.04945%0.449CS..Hα-helixtrans-65.9-20.8177.2-73.4-70.7-81.500113.7Y1329 N1392 Q1393 L1398 R1403 F1406Y1329-M1395 HydrophobicContact CD1-CE 4.25Å; Y1329-M1395 HydrophobicContact CD2-CE 4.37Å; Y1329-M1395 HydrophobicContact CG-CE 4.16Å; N1392-M1395 PolarHBondContact O-N 2.84Å; Q1393-M1395 VanDerWaalsContact C-N 3.28Å; Q1393-M1395 PolarHBondContact O-N 3.44Å; M1395-L1398 HydrophobicContact SD-CD1 3.6Å; M1395-L1398 VanDerWaalsContact SD-CD1 3.6Å; M1395-R1403 HydrophobicContact CE-CG 3.7Å; M1395-R1403 PolarHBondContact O-NE 3.49Å; M1395-R1403 VanDerWaalsContact O-NE 3.14Å; M1395-R1403 PolarHBondContact O-NH2 3.16Å; M1395-F1406 HydrophobicContact CE-CD1 3.87Å; M1395-F1406 HydrophobicContact SD-CD1 3.74Å; M1395-F1406 HydrophobicContact SD-CE1 4.19Å; M1395-F1406 HydrophobicContact SD-CG 4.48Å
1396I58.6Low60.2Low128 Ų12887.1 Ų87.166%0.65644%0.44SS*.Hα-helixtrans-77.8-28.3176.7-60.4174.2000111Q1393 L1394Q1393-I1396 PolarHBondContact O-N 2.97Å; L1394-I1396 PolarHBondContact O-N 3.23Å
1397E61.1Low62.2Low164 Ų16481 Ų8177%0.76641%0.407SS*.Hα-helixtrans-82.3-18.8179.9-62.9-176.2165.700113.2L1394L1394-E1397 PolarHBondContact O-N 3.17Å; L1394-E1397 VanDerWaalsContact O-N 3.16Å
1398L66.7Low64.2Low57 Ų5777.2 Ų77.230%0.29839%0.387SS..SBendtrans-72.3145.3179.9-67.9173.3000112.3L1394 M1395 E1402L1394-L1398 PolarHBondContact O-N 3.41Å; M1395-L1398 HydrophobicContact SD-CD1 3.6Å; M1395-L1398 VanDerWaalsContact SD-CD1 3.6Å; L1398-E1402 HydrophobicContact CB-CB 4.13Å; L1398-E1402 HydrophobicContact CD2-CB 4.1Å
1399T72.5Confident66.1Low78 Ų7871.1 Ų71.148%0.47935%0.354SS..  trans-63.5155.1170.462.50000110.9N1401 E1402 R1403T1399-N1401 PolarHBondContact O-N 2.88Å; T1399-N1401 VanDerWaalsContact O-N 3.14Å; T1399-E1402 PolarHBondContact N-OE2 2.84Å; T1399-E1402 PolarHBondContact O-N 2.72Å; T1399-E1402 VanDerWaalsContact O-N 3.12Å; T1399-E1402 VanDerWaalsContact OG1-CG 3.24Å; T1399-E1402 WeakPolarHBondContact OG1-CG 3.28Å; T1399-E1402 PolarHBondContact OG1-N 2.83Å; T1399-E1402 PolarHBondContact OG1-OE2 3.38Å; T1399-R1403 PolarHBondContact O-N 3.19Å
1400L74Confident67.8Low65 Ų6566 Ų6634%0.3433%0.329SS..Hα-helixtrans-52.6-39.2178.6-179.564.3000111.9E1322 N1404E1322-L1400 HydrophobicContact CG-CD2 4.39Å; L1400-N1404 VanDerWaalsContact O-CB 3.3Å; L1400-N1404 WeakPolarHBondContact O-CB 3.45Å; L1400-N1404 PolarHBondContact O-N 3.27Å; L1400-N1404 PolarHBondContact O-ND2 3.2Å; L1400-N1404 PolarHBondContact O-OD1 3.27Å
1401N76Confident69.7Low57 Ų5762.3 Ų62.331%0.30531%0.311SS..Hα-helixtrans-66.5-47.2178.8-73-10.6000112.2L1364 T1399 R1403 N1404 E1405L1364-N1401 HydrophobicContact CD2-CB 4.35Å; L1364-N1401 WeakPolarHBondContact CD2-O 3.02Å; T1399-N1401 PolarHBondContact O-N 2.88Å; T1399-N1401 VanDerWaalsContact O-N 3.14Å; N1401-R1403 VanDerWaalsContact C-N 3.33Å; N1401-R1403 PolarHBondContact O-N 2.85Å; N1401-N1404 PolarHBondContact O-N 3.45Å; N1401-E1405 WeakPolarHBondContact O-CB 3.33Å; N1401-E1405 PolarHBondContact O-N 3.17Å
1402E75.6Confident71.2Confident92 Ų9257.8 Ų57.843%0.4329%0.286SS..Hα-helixtrans-62.6-41.1177.3-70.9163155.200111.5L1398 T1399 N1404 E1405 F1406L1398-E1402 HydrophobicContact CB-CB 4.13Å; L1398-E1402 HydrophobicContact CD2-CB 4.1Å; T1399-E1402 PolarHBondContact N-OE2 2.84Å; T1399-E1402 PolarHBondContact O-N 2.72Å; T1399-E1402 VanDerWaalsContact O-N 3.12Å; T1399-E1402 VanDerWaalsContact OG1-CG 3.24Å; T1399-E1402 WeakPolarHBondContact OG1-CG 3.28Å; T1399-E1402 PolarHBondContact OG1-N 2.83Å; T1399-E1402 PolarHBondContact OG1-OE2 3.38Å; E1402-N1404 VanDerWaalsContact C-N 3.34Å; E1402-N1404 PolarHBondContact O-N 2.73Å; E1402-E1405 PolarHBondContact O-N 3.36Å; E1402-F1406 WeakPolarHBondContact O-CB 3.23Å; E1402-F1406 PolarHBondContact O-N 3.43Å
1403R76.2Confident72.5Confident42 Ų4255.7 Ų55.716%0.15828%0.279CS..Hα-helixtrans-61.2-43.6175.2-176-175.8-81.6177-6.3111.4S1325 S1326 M1395 T1399 N1401 C1407S1325-R1403 VanDerWaalsContact OG-CD 3.28Å; S1325-R1403 WeakPolarHBondContact OG-CD 3.48Å; S1326-R1403 VanDerWaalsContact OG-CD 3.29Å; S1326-R1403 WeakPolarHBondContact OG-CD 3.5Å; S1326-R1403 PolarHBondContact OG-NE 2.94Å; S1326-R1403 VanDerWaalsContact OG-NE 3.13Å; S1326-R1403 PolarHBondContact OG-NH1 3.44Å; M1395-R1403 HydrophobicContact CE-CG 3.7Å; M1395-R1403 PolarHBondContact O-NE 3.49Å; M1395-R1403 VanDerWaalsContact O-NE 3.14Å; M1395-R1403 PolarHBondContact O-NH2 3.16Å; T1399-R1403 PolarHBondContact O-N 3.19Å; N1401-R1403 VanDerWaalsContact C-N 3.33Å; N1401-R1403 PolarHBondContact O-N 2.85Å; R1403-C1407 WeakPolarHBondContact O-CB 3.3Å; R1403-C1407 PolarHBondContact O-N 3.29Å
1404N81.5Confident73.9Confident1 Ų148.4 Ų48.41%0.00524%0.244CC..Hα-helixtrans-66.9-43.5179.1-72.4-8.7000111.7S1325 I1360 T1363 L1364 L1400 N1401 E1402 C1407 L1408S1325-N1404 WeakPolarHBondContact CB-OD1 3.39Å; S1325-N1404 PolarHBondContact OG-OD1 3.32Å; I1360-N1404 HydrophobicContact CG2-CB 3.57Å; T1363-N1404 PolarHBondContact OG1-ND2 3.28Å; L1364-N1404 HydrophobicContact CD2-CB 3.75Å; L1364-N1404 HydrophobicContact CG-CB 4.29Å; L1400-N1404 VanDerWaalsContact O-CB 3.3Å; L1400-N1404 WeakPolarHBondContact O-CB 3.45Å; L1400-N1404 PolarHBondContact O-N 3.27Å; L1400-N1404 PolarHBondContact O-ND2 3.2Å; L1400-N1404 PolarHBondContact O-OD1 3.27Å; N1401-N1404 PolarHBondContact O-N 3.45Å; E1402-N1404 VanDerWaalsContact C-N 3.34Å; E1402-N1404 PolarHBondContact O-N 2.73Å; N1404-C1407 PolarHBondContact O-N 3.42Å; N1404-L1408 WeakPolarHBondContact O-CB 3.33Å; N1404-L1408 VanDerWaalsContact O-CG 3.29Å; N1404-L1408 WeakPolarHBondContact O-CG 3.2Å; N1404-L1408 PolarHBondContact O-N 3.28Å
1405E77.8Confident75.1Confident20 Ų2044.9 Ų44.99%0.09323%0.226CC..Hα-helixtrans-59.5-50.4175.2-178.4177.5174.100111.1L1372 Q1375 N1401 E1402 C1407 L1408 L1409L1372-E1405 HydrophobicContact CB-CG 4.27Å; L1372-E1405 HydrophobicContact CD1-CB 4.22Å; L1372-E1405 HydrophobicContact CD1-CG 3.91Å; L1372-E1405 HydrophobicContact CG-CG 4.01Å; Q1375-E1405 VanDerWaalsContact CD-OE1 3.26Å; Q1375-E1405 PolarHBondContact NE2-OE1 3.5Å; Q1375-E1405 PolarHBondContact OE1-OE1 3.22Å; N1401-E1405 WeakPolarHBondContact O-CB 3.33Å; N1401-E1405 PolarHBondContact O-N 3.17Å; E1402-E1405 PolarHBondContact O-N 3.36Å; E1405-C1407 PolarHBondContact O-N 2.97Å; E1405-L1408 PolarHBondContact O-N 2.85Å; E1405-L1409 HydrophobicContact CG-CD1 4.4Å; E1405-L1409 WeakPolarHBondContact O-CG 3.23Å; E1405-L1409 PolarHBondContact O-N 2.84Å
1406F76.8Confident76.3Confident63 Ų6346.9 Ų46.928%0.27624%0.237SC..Hα-helixtrans-62.8-41.8179.1-171.4-103.9000112.7Y1329 M1390 M1395 E1402 L1408 L1409 K1410Y1329-F1406 HydrophobicContact CD2-CD1 4.33Å; Y1329-F1406 HydrophobicContact CD2-CE1 4.33Å; Y1329-F1406 AromaticContact CE2-CD1 3.82Å; Y1329-F1406 HydrophobicContact CE2-CD1 3.82Å; Y1329-F1406 AromaticContact CE2-CE1 3.4Å; Y1329-F1406 HydrophobicContact CE2-CE1 3.4Å; Y1329-F1406 VanDerWaalsContact CE2-CE1 3.4Å; Y1329-F1406 HydrophobicContact CE2-CZ 4.48Å; Y1329-F1406 AromaticContact CZ-CE1 3.67Å; Y1329-F1406 WeakPolarHBondContact OH-CE1 3.37Å; M1390-F1406 HydrophobicContact CB-CE1 4.43Å; M1390-F1406 HydrophobicContact CB-CZ 4.08Å; M1390-F1406 HydrophobicContact CG-CZ 4.47Å; M1395-F1406 HydrophobicContact CE-CD1 3.87Å; M1395-F1406 HydrophobicContact SD-CD1 3.74Å; M1395-F1406 HydrophobicContact SD-CE1 4.19Å; M1395-F1406 HydrophobicContact SD-CG 4.48Å; E1402-F1406 WeakPolarHBondContact O-CB 3.23Å; E1402-F1406 PolarHBondContact O-N 3.43Å; F1406-L1408 VanDerWaalsContact C-N 3.34Å; F1406-L1408 PolarHBondContact O-N 3.22Å; F1406-L1409 PolarHBondContact O-N 3.01Å; F1406-K1410 PolarHBondContact O-N 2.63Å
1407C81.9Confident77.3Confident0 Ų044.6 Ų44.60%022%0.222CC..Hα-helixtrans-60.2-43.8176.1-171.40000111.2S1325 R1403 N1404 E1405 K1410 I1411S1325-C1407 PolarHBondContact O-SG 3.4Å; S1325-C1407 VanDerWaalsContact O-SG 3.36Å; R1403-C1407 WeakPolarHBondContact O-CB 3.3Å; R1403-C1407 PolarHBondContact O-N 3.29Å; N1404-C1407 PolarHBondContact O-N 3.42Å; E1405-C1407 PolarHBondContact O-N 2.97Å; C1407-K1410 PolarHBondContact O-N 2.89Å; C1407-I1411 VanDerWaalsContact O-CG1 3.25Å; C1407-I1411 WeakPolarHBondContact O-CG1 3.26Å; C1407-I1411 PolarHBondContact O-N 3.32Å
1408L81.7Confident78.2Confident16 Ų1637 Ų378%0.08419%0.187CC..Hα-helixtrans-64.2-41.5177.8-74.6167.1000113.5G1357 I1360 N1361 L1364 L1372 N1404 E1405 F1406 K1410 I1411 M1412G1357-L1408 VanDerWaalsContact O-CD2 3.3Å; G1357-L1408 WeakPolarHBondContact O-CD2 3.45Å; I1360-L1408 HydrophobicContact CB-CD2 4.41Å; I1360-L1408 HydrophobicContact CG2-CD1 4.07Å; I1360-L1408 HydrophobicContact CG2-CD2 4.43Å; I1360-L1408 HydrophobicContact CG2-CG 4.04Å; N1361-L1408 HydrophobicContact CB-CD1 4.01Å; N1361-L1408 HydrophobicContact CB-CD2 4.39Å; L1364-L1408 HydrophobicContact CD1-CD1 3.53Å; L1372-L1408 HydrophobicContact CD1-CB 3.9Å; L1372-L1408 HydrophobicContact CD1-CD1 3.53Å; L1372-L1408 HydrophobicContact CD1-CG 4.37Å; N1404-L1408 WeakPolarHBondContact O-CB 3.33Å; N1404-L1408 VanDerWaalsContact O-CG 3.29Å; N1404-L1408 WeakPolarHBondContact O-CG 3.2Å; N1404-L1408 PolarHBondContact O-N 3.28Å; E1405-L1408 PolarHBondContact O-N 2.85Å; F1406-L1408 VanDerWaalsContact C-N 3.34Å; F1406-L1408 PolarHBondContact O-N 3.22Å; L1408-K1410 VanDerWaalsContact C-N 3.29Å; L1408-K1410 PolarHBondContact O-N 3.12Å; L1408-I1411 HydrophobicContact CD2-CD1 4.26Å; L1408-I1411 PolarHBondContact O-N 2.96Å; L1408-M1412 PolarHBondContact O-N 3.43Å
1409L79.5Confident78.7Confident19 Ų1935.6 Ų35.610%0.09918%0.181CC..Hα-helixtrans-60.7-42.1173.6-65166.2000111Q1375 L1376 L1379 E1405 F1406 M1412 S1413Q1375-L1409 HydrophobicContact CB-CD2 3.95Å; L1376-L1409 HydrophobicContact CD2-CD2 3.83Å; L1376-L1409 HydrophobicContact CG-CD2 3.93Å; L1379-L1409 HydrophobicContact CD1-CB 4.21Å; L1379-L1409 HydrophobicContact CD1-CD2 3.74Å; E1405-L1409 HydrophobicContact CG-CD1 4.4Å; E1405-L1409 WeakPolarHBondContact O-CG 3.23Å; E1405-L1409 PolarHBondContact O-N 2.84Å; F1406-L1409 PolarHBondContact O-N 3.01Å; L1409-M1412 PolarHBondContact O-N 3.1Å; L1409-S1413 PolarHBondContact O-N 2.96Å
1410K80.4Confident78.8Confident46 Ų4638.6 Ų38.620%0.218%0.184CC..Hα-helixtrans-69.5-39178.9-162.469174-172.30112.4Y1329 L1332 F1406 C1407 L1408 M1412 S1413 I1414Y1329-K1410 HydrophobicContact CD2-CB 4.36Å; Y1329-K1410 HydrophobicContact CD2-CG 4.35Å; Y1329-K1410 HydrophobicContact CE2-CB 4.21Å; Y1329-K1410 HydrophobicContact CE2-CG 3.96Å; L1332-K1410 HydrophobicContact CD1-CB 3.83Å; L1332-K1410 HydrophobicContact CD1-CG 3.66Å; F1406-K1410 PolarHBondContact O-N 2.63Å; C1407-K1410 PolarHBondContact O-N 2.89Å; L1408-K1410 VanDerWaalsContact C-N 3.29Å; L1408-K1410 PolarHBondContact O-N 3.12Å; K1410-M1412 VanDerWaalsContact C-N 3.3Å; K1410-M1412 PolarHBondContact O-N 3.33Å; K1410-S1413 PolarHBondContact O-N 3.46Å; K1410-I1414 HydrophobicContact CG-CD1 4.05Å; K1410-I1414 WeakPolarHBondContact O-CB 3.5Å; K1410-I1414 WeakPolarHBondContact O-CG1 3.44Å; K1410-I1414 PolarHBondContact O-N 3.48Å
1411I83.2Confident78.8Confident6 Ų640.2 Ų40.23%0.03119%0.19CC..Hα-helixtrans-55.5-48.3172.1-72162.7000109.8L1328 L1332 L1353 C1407 L1408 I1414 L1415L1328-I1411 HydrophobicContact CD2-CD1 3.46Å; L1328-I1411 VanDerWaalsContact CD2-CD1 3.46Å; L1328-I1411 HydrophobicContact CD2-CG1 4.09Å; L1328-I1411 HydrophobicContact CG-CD1 4.42Å; L1332-I1411 HydrophobicContact CD1-CG1 4.22Å; L1332-I1411 HydrophobicContact CD2-CG1 3.97Å; L1353-I1411 HydrophobicContact CB-CG2 3.99Å; C1407-I1411 VanDerWaalsContact O-CG1 3.25Å; C1407-I1411 WeakPolarHBondContact O-CG1 3.26Å; C1407-I1411 PolarHBondContact O-N 3.32Å; L1408-I1411 HydrophobicContact CD2-CD1 4.26Å; L1408-I1411 PolarHBondContact O-N 2.96Å; I1411-I1414 PolarHBondContact O-N 3.38Å; I1411-L1415 WeakPolarHBondContact O-CB 3.48Å; I1411-L1415 PolarHBondContact O-N 3.46Å
1412M80.6Confident78.5Confident22 Ų2238.9 Ų38.911%0.10819%0.185CC..Hα-helixtrans-66.6-40.4-178.6-160.761.466.200112.3L1376 L1408 L1409 K1410 I1414 L1415 N1416 P1432 L1434L1376-M1412 HydrophobicContact CD2-CB 3.78Å; L1376-M1412 HydrophobicContact CD2-CG 3.83Å; L1408-M1412 PolarHBondContact O-N 3.43Å; L1409-M1412 PolarHBondContact O-N 3.1Å; K1410-M1412 VanDerWaalsContact C-N 3.3Å; K1410-M1412 PolarHBondContact O-N 3.33Å; M1412-I1414 VanDerWaalsContact C-N 3.3Å; M1412-I1414 PolarHBondContact O-N 3.41Å; M1412-L1415 PolarHBondContact O-N 2.94Å; M1412-L1415 HydrophobicContact SD-CD2 4.11Å; M1412-N1416 VanDerWaalsContact O-CG 3.27Å; M1412-N1416 PolarHBondContact O-N 3.28Å; M1412-N1416 VanDerWaalsContact O-N 3.07Å; M1412-N1416 PolarHBondContact O-ND2 3.25Å; M1412-P1432 HydrophobicContact SD-CG 3.88Å; M1412-L1434 HydrophobicContact CE-CD1 3.66Å; M1412-L1434 HydrophobicContact CE-CG 4.17Å
1413S78.6Confident78.1Confident42 Ų4236.2 Ų36.229%0.29418%0.176SC..Hα-helixtrans-58.1-43.3172.7-177.60000111.7L1409 K1410 N1416 K1417L1409-S1413 PolarHBondContact O-N 2.96Å; K1410-S1413 PolarHBondContact O-N 3.46Å; S1413-N1416 PolarHBondContact O-N 3.25Å; S1413-K1417 WeakPolarHBondContact O-CG 3.4Å; S1413-K1417 PolarHBondContact O-N 3.31Å
1414I80.1Confident77.3Confident8 Ų839.3 Ų39.34%0.04121%0.211CC..Hα-helixtrans-73.6-36.9-179.4-73.9172.3000112.2L1332 L1336 L1353 K1410 I1411 M1412 N1416 K1417 L1418L1332-I1414 HydrophobicContact CB-CD1 3.43Å; L1332-I1414 VanDerWaalsContact CB-CD1 3.43Å; L1332-I1414 HydrophobicContact CD1-CD1 3.94Å; L1332-I1414 HydrophobicContact CD2-CD1 3.89Å; L1332-I1414 HydrophobicContact CG-CD1 3.92Å; L1336-I1414 HydrophobicContact CB-CG2 4.13Å; L1336-I1414 HydrophobicContact CD1-CG2 4.37Å; L1353-I1414 HydrophobicContact CD1-CG2 4.15Å; K1410-I1414 HydrophobicContact CG-CD1 4.05Å; K1410-I1414 WeakPolarHBondContact O-CB 3.5Å; K1410-I1414 WeakPolarHBondContact O-CG1 3.44Å; K1410-I1414 PolarHBondContact O-N 3.48Å; I1411-I1414 PolarHBondContact O-N 3.38Å; M1412-I1414 VanDerWaalsContact C-N 3.3Å; M1412-I1414 PolarHBondContact O-N 3.41Å; I1414-N1416 VanDerWaalsContact C-N 3.25Å; I1414-N1416 PolarHBondContact O-N 3.31Å; I1414-K1417 PolarHBondContact O-N 3.25Å; I1414-L1418 WeakPolarHBondContact O-CB 3.47Å; I1414-L1418 PolarHBondContact O-N 2.77Å
1415L81Confident76.1Confident7 Ų745.7 Ų45.74%0.03724%0.241CC..Hα-helixtrans-58.3-42.9172.5-17071.3000110.4A1350 L1354 I1411 M1412 L1418 V1419 P1432A1350-L1415 HydrophobicContact CB-CD1 3.72Å; L1354-L1415 HydrophobicContact CD2-CD2 4.07Å; I1411-L1415 WeakPolarHBondContact O-CB 3.48Å; I1411-L1415 PolarHBondContact O-N 3.46Å; M1412-L1415 PolarHBondContact O-N 2.94Å; M1412-L1415 HydrophobicContact SD-CD2 4.11Å; L1415-L1418 PolarHBondContact O-N 3.43Å; L1415-V1419 WeakPolarHBondContact O-CG2 3.39Å; L1415-V1419 PolarHBondContact O-N 3.48Å; L1415-P1432 HydrophobicContact CD2-CG 3.75Å
1416N77.8Confident75.2Confident51 Ų5151 Ų5127%0.27326%0.26SS..Hα-helixtrans-64.2-45.5174.8-67-21.4000112.4M1412 S1413 I1414 L1418 V1419 Y1420 Y1429 T1431M1412-N1416 VanDerWaalsContact O-CG 3.27Å; M1412-N1416 PolarHBondContact O-N 3.28Å; M1412-N1416 VanDerWaalsContact O-N 3.07Å; M1412-N1416 PolarHBondContact O-ND2 3.25Å; S1413-N1416 PolarHBondContact O-N 3.25Å; I1414-N1416 VanDerWaalsContact C-N 3.25Å; I1414-N1416 PolarHBondContact O-N 3.31Å; N1416-L1418 PolarHBondContact O-N 3.18Å; N1416-V1419 PolarHBondContact O-N 3.18Å; N1416-Y1420 WeakPolarHBondContact O-CB 3.46Å; N1416-Y1420 PolarHBondContact O-N 3.19Å; N1416-Y1429 WeakPolarHBondContact OD1-CE1 3.29Å; N1416-Y1429 PolarHBondContact OD1-OH 3.4Å; N1416-T1431 WeakPolarHBondContact ND2-CG2 3.33Å; N1416-T1431 VanDerWaalsContact OD1-CG2 3.23Å; N1416-T1431 WeakPolarHBondContact OD1-CG2 3.38Å
1417K79.4Confident74Confident80 Ų8056.8 Ų56.835%0.34829%0.287SS..Hα-helixtrans-61.8-42.4176.1-72.6-173.2178.1-163.50111.5L1336 D1386 S1413 I1414 Y1420 Q1421L1336-K1417 HydrophobicContact CD1-CB 4Å; L1336-K1417 HydrophobicContact CD2-CB 4.1Å; L1336-K1417 HydrophobicContact CD2-CD 4.28Å; D1386-K1417 IonicContact OD1-NZ 3.51Å; D1386-K1417 PolarHBondContact OD1-NZ 3.38Å; D1386-K1417 VanDerWaalsContact OD1-NZ 3.16Å; S1413-K1417 WeakPolarHBondContact O-CG 3.4Å; S1413-K1417 PolarHBondContact O-N 3.31Å; I1414-K1417 PolarHBondContact O-N 3.25Å; K1417-Y1420 PolarHBondContact O-N 3.17Å; K1417-Q1421 WeakPolarHBondContact O-CB 3.33Å; K1417-Q1421 WeakPolarHBondContact O-CG 3.43Å; K1417-Q1421 PolarHBondContact O-N 3.41Å
1418L81Confident72.7Confident5 Ų562.6 Ų62.63%0.02632%0.318CS..Hα-helixtrans-63.5-46.2179.4-179.8151.6000110.9L1336 A1346 I1349 I1414 L1415 N1416 Y1420 Q1421 C1422L1336-L1418 HydrophobicContact CD1-CB 3.83Å; A1346-L1418 HydrophobicContact CB-CD2 3.78Å; A1346-L1418 HydrophobicContact CB-CG 4.29Å; I1349-L1418 HydrophobicContact CB-CD1 4.08Å; I1349-L1418 HydrophobicContact CG2-CD1 3.66Å; I1414-L1418 WeakPolarHBondContact O-CB 3.47Å; I1414-L1418 PolarHBondContact O-N 2.77Å; L1415-L1418 PolarHBondContact O-N 3.43Å; N1416-L1418 PolarHBondContact O-N 3.18Å; L1418-Y1420 VanDerWaalsContact C-N 3.35Å; L1418-Y1420 PolarHBondContact O-N 3.42Å; L1418-Q1421 PolarHBondContact O-N 3.2Å; L1418-C1422 VanDerWaalsContact O-CB 3.23Å; L1418-C1422 WeakPolarHBondContact O-CB 3.23Å; L1418-C1422 PolarHBondContact O-N 3.47Å; L1418-C1422 PolarHBondContact O-SG 3.39Å
1419V77Confident71.3Confident28 Ų2865.4 Ų65.417%0.1733%0.328CS..Hα-helixtrans-65.1-40.8176.11780000111.1L1415 N1416 Q1421 S1423 Y1429L1415-V1419 WeakPolarHBondContact O-CG2 3.39Å; L1415-V1419 PolarHBondContact O-N 3.48Å; N1416-V1419 PolarHBondContact O-N 3.18Å; V1419-Q1421 PolarHBondContact O-N 3.21Å; V1419-S1423 WeakPolarHBondContact O-CB 3.12Å; V1419-S1423 PolarHBondContact O-N 2.85Å; V1419-S1423 PolarHBondContact O-OG 3.17Å; V1419-Y1429 HydrophobicContact CB-CD1 4.1Å; V1419-Y1429 HydrophobicContact CB-CD2 4.12Å; V1419-Y1429 HydrophobicContact CB-CE1 4.02Å; V1419-Y1429 HydrophobicContact CB-CE2 4.02Å; V1419-Y1429 HydrophobicContact CB-CG 4.13Å; V1419-Y1429 HydrophobicContact CG1-CD1 3.74Å; V1419-Y1429 HydrophobicContact CG1-CD2 3.44Å; V1419-Y1429 VanDerWaalsContact CG1-CD2 3.44Å; V1419-Y1429 HydrophobicContact CG1-CE1 4.15Å; V1419-Y1429 HydrophobicContact CG1-CE2 3.87Å; V1419-Y1429 HydrophobicContact CG1-CG 3.34Å; V1419-Y1429 HydrophobicContact CG2-CD2 4.12Å; V1419-Y1429 HydrophobicContact CG2-CE1 4.37Å; V1419-Y1429 HydrophobicContact CG2-CE2 3.66Å
1420Y74.8Confident70.3Confident140 Ų14074 Ų7455%0.54936%0.361SS..Hα-helixtrans-64.6-38.6178.3-170.1-96.8000113.2N1416 K1417 L1418 R1426N1416-Y1420 WeakPolarHBondContact O-CB 3.46Å; N1416-Y1420 PolarHBondContact O-N 3.19Å; K1417-Y1420 PolarHBondContact O-N 3.17Å; L1418-Y1420 VanDerWaalsContact C-N 3.35Å; L1418-Y1420 PolarHBondContact O-N 3.42Å; Y1420-R1426 HydrophobicContact CD2-CG 4.46Å; Y1420-R1426 PolarHBondContact O-NE 3.29Å; Y1420-R1426 VanDerWaalsContact O-NE 3.09Å
1421Q74Confident69Low100 Ų10073.6 Ų73.647%0.46736%0.362SS..Hα-helixtrans-78.5-37.2180-73-179.5-11.100113K1417 L1418 V1419K1417-Q1421 WeakPolarHBondContact O-CB 3.33Å; K1417-Q1421 WeakPolarHBondContact O-CG 3.43Å; K1417-Q1421 PolarHBondContact O-N 3.41Å; L1418-Q1421 PolarHBondContact O-N 3.2Å; V1419-Q1421 PolarHBondContact O-N 3.21Å
1422C70.4Confident67.6Low28 Ų2875.9 Ų75.919%0.18938%0.377CS..Hα-helixtrans-100.3-21-169.6-51.30000114G1339 A1346 L1418G1339-C1422 PolarHBondContact O-SG 3.31Å; A1346-C1422 HydrophobicContact CB-CB 3.81Å; L1418-C1422 VanDerWaalsContact O-CB 3.23Å; L1418-C1422 WeakPolarHBondContact O-CB 3.23Å; L1418-C1422 PolarHBondContact O-N 3.47Å; L1418-C1422 PolarHBondContact O-SG 3.39Å
1423S66.1Low66.1Low36 Ų3683.7 Ų83.725%0.25241%0.405SS..  trans-87.4128.7-179.572.70000112V1419 Q1425V1419-S1423 WeakPolarHBondContact O-CB 3.12Å; V1419-S1423 PolarHBondContact O-N 2.85Å; V1419-S1423 PolarHBondContact O-OG 3.17Å; S1423-Q1425 PolarHBondContact O-N 3.34Å
1424A59.5Low64.5Low108 Ų10884.2 Ų84.289%0.89341%0.405SS*.SBendtrans-65.9-26.3170.500000111.9
1425Q57.6Low62.8Low134 Ų13490.3 Ų90.363%0.62644%0.436SS*.  trans-104.457.3-174.8-65.6-179.1-16.900112.4S1423 H1427 L1428S1423-Q1425 PolarHBondContact O-N 3.34Å; Q1425-H1427 PolarHBondContact O-N 2.99Å; Q1425-L1428 HydrophobicContact CB-CD1 4.18Å; Q1425-L1428 PolarHBondContact O-N 2.71Å
1426R56.9Low60.6Low131 Ų13197.9 Ų97.949%0.49448%0.477SS..G310 helixtrans-49.8-29.2-177.6-63.6-179.5179.8161.35.8114.3Y1420Y1420-R1426 HydrophobicContact CD2-CG 4.46Å; Y1420-R1426 PolarHBondContact O-NE 3.29Å; Y1420-R1426 VanDerWaalsContact O-NE 3.09Å
1427H53.6Low59.7Low185 Ų185100.3 Ų100.386%0.85649%0.487SS*.G310 helixtrans-77.7-14.4-176.7-62.4-61.8000115.6Q1425Q1425-H1427 PolarHBondContact O-N 2.99Å
1428L54Low58.7Low122 Ų122101.3 Ų101.364%0.63949%0.494SS*.G310 helixtrans-97.7-5.3-177.6-70.2170.8000113.5Q1425 Y1430Q1425-L1428 HydrophobicContact CB-CD1 4.18Å; Q1425-L1428 PolarHBondContact O-N 2.71Å; L1428-Y1430 PolarHBondContact O-N 3.45Å
1429Y51.3Low57.5Low75 Ų75106.7 Ų106.729%0.29452%0.52SS..  trans-83.1112.9-177.5179.3-113.6000111.9N1416 V1419 T1431 P1432N1416-Y1429 WeakPolarHBondContact OD1-CE1 3.29Å; N1416-Y1429 PolarHBondContact OD1-OH 3.4Å; V1419-Y1429 HydrophobicContact CB-CD1 4.1Å; V1419-Y1429 HydrophobicContact CB-CD2 4.12Å; V1419-Y1429 HydrophobicContact CB-CE1 4.02Å; V1419-Y1429 HydrophobicContact CB-CE2 4.02Å; V1419-Y1429 HydrophobicContact CB-CG 4.13Å; V1419-Y1429 HydrophobicContact CG1-CD1 3.74Å; V1419-Y1429 HydrophobicContact CG1-CD2 3.44Å; V1419-Y1429 VanDerWaalsContact CG1-CD2 3.44Å; V1419-Y1429 HydrophobicContact CG1-CE1 4.15Å; V1419-Y1429 HydrophobicContact CG1-CE2 3.87Å; V1419-Y1429 HydrophobicContact CG1-CG 3.34Å; V1419-Y1429 HydrophobicContact CG2-CD2 4.12Å; V1419-Y1429 HydrophobicContact CG2-CE1 4.37Å; V1419-Y1429 HydrophobicContact CG2-CE2 3.66Å; Y1429-T1431 HydrophobicContact CE1-CG2 4.3Å; Y1429-P1432 VanDerWaalsContact OH-CD 3.22Å; Y1429-P1432 WeakPolarHBondContact OH-CD 3.41Å
1430Y58.5Low56.3Low200 Ų200111.3 Ų111.378%0.78454%0.541SS*.PPolyproline II helixtrans-97.3127.7163.8-75.3-87.1000109.4L1428L1428-Y1430 PolarHBondContact O-N 3.45Å
1431T54.1Low55.2Low37 Ų37109.5 Ų109.523%0.22754%0.54CS..PPolyproline II helixtrans-49.5128174.527.30000111.1R1380 N1416 Y1429 R1433R1380-T1431 PolarHBondContact NE-OG1 2.92Å; R1380-T1431 PolarHBondContact NH2-O 3.35Å; R1380-T1431 PolarHBondContact NH2-OG1 3.25Å; N1416-T1431 WeakPolarHBondContact ND2-CG2 3.33Å; N1416-T1431 VanDerWaalsContact OD1-CG2 3.23Å; N1416-T1431 WeakPolarHBondContact OD1-CG2 3.38Å; Y1429-T1431 HydrophobicContact CE1-CG2 4.3Å; T1431-R1433 PolarHBondContact O-N 3.44Å
1432P53.4Low53.9Low54 Ų54110.1 Ų110.135%0.35155%0.545SS..PPolyproline II helixtrans-61.3132.2-178.321.4-29.6000110.8M1412 L1415 Y1429M1412-P1432 HydrophobicContact SD-CG 3.88Å; L1415-P1432 HydrophobicContact CD2-CG 3.75Å; Y1429-P1432 VanDerWaalsContact OH-CD 3.22Å; Y1429-P1432 WeakPolarHBondContact OH-CD 3.41Å
1433R48.8Very low52.7Low186 Ų186116 Ų11670%0.70257%0.57SS**  trans-84.3114.5168.5-66.2-178.4177.2179.3-4106.7T1431 I1435T1431-R1433 PolarHBondContact O-N 3.44Å; R1433-I1435 VanDerWaalsContact C-N 3.35Å; R1433-I1435 HydrophobicContact CB-CD1 4.07Å; R1433-I1435 HydrophobicContact CB-CG1 3.83Å; R1433-I1435 PolarHBondContact O-N 3.2Å
1434L45.7Very low51.7Low53 Ų53122.2 Ų122.228%0.27760%0.595SS.*  trans-65.3103162-77.6158.4000105.3L1358 Y1373 L1376 M1412L1358-L1434 HydrophobicContact CD2-CD2 4.34Å; Y1373-L1434 HydrophobicContact CE1-CB 3.77Å; Y1373-L1434 WeakPolarHBondContact CE1-O 3.27Å; L1376-L1434 HydrophobicContact CD1-CD1 3.83Å; M1412-L1434 HydrophobicContact CE-CD1 3.66Å; M1412-L1434 HydrophobicContact CE-CG 4.17Å
1435I43.8Very low51Low137 Ų137123.3 Ų123.370%0.70357%0.57SS**  trans-111.195.1170.6-59.5174.1000103.9R1433R1433-I1435 VanDerWaalsContact C-N 3.35Å; R1433-I1435 HydrophobicContact CB-CD1 4.07Å; R1433-I1435 HydrophobicContact CB-CG1 3.83Å; R1433-I1435 PolarHBondContact O-N 3.2Å
1436N34.9Very low50.4Low166 Ų166122.4 Ų122.489%0.88857%0.565SS**  trans48.40176.8-82.1-17.2000118.5Y1373Y1373-N1436 PolarHBondContact OH-N 2.98Å

Retrieved 1,436 of 1,436 residues in 2930.5 ms (Link to these results)

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