A0A3Q0KPH6_SCHMA Loading...

Mitochondrial carrier protein-related

AlphaFold DB , UniProt , Accession A0A3Q0KPH6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 272 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M62.5Low87.2Confident181 Ų18181.9 Ų81.989%0.89241%0.408SS*.  0130.20-173.2178.6-71.900107.1A5 F6M1-A5 HydrophobicContact CG-CB 3.86Å; M1-F6 HydrophobicContact CG-CB 4.35Å; M1-F6 HydrophobicContact SD-CB 3.85Å; M1-F6 HydrophobicContact SD-CD2 4.11Å
2S84.4Confident87.6Confident73 Ų7377.5 Ų77.551%0.5140%0.399SS..  trans-67.9153.4175.561.80000110.1Q4 A5 F6S2-Q4 PolarHBondContact O-N 3.07Å; S2-A5 PolarHBondContact O-N 3.14Å; S2-A5 VanDerWaalsContact O-N 3.14Å; S2-A5 WeakPolarHBondContact OG-CB 3.32Å; S2-A5 PolarHBondContact OG-N 3.2Å; S2-F6 PolarHBondContact O-N 3.25Å
3K87.4Confident88.1Confident129 Ų12973.5 Ų73.556%0.56139%0.385SS*.Hα-helixtrans-54.2-39.2174.9-174.4178.2179.3-178.20111.3F6 N7 Y272K3-F6 PolarHBondContact O-N 2.69Å; K3-N7 WeakPolarHBondContact O-CB 3.35Å; K3-N7 PolarHBondContact O-N 3.35Å; K3-N7 PolarHBondContact O-OD1 2.97Å; K3-Y272 WeakPolarHBondContact CE-OXT 3.27Å; K3-Y272 PolarHBondContact NZ-O 2.74Å; K3-Y272 PolarHBondContact NZ-OXT 2.79Å
4Q88Confident88.6Confident115 Ų11573.5 Ų73.554%0.53738%0.384SS..Hα-helixtrans-60.8-50.1175.6-178.9178-9.300112.5S2 F6 N7 E8S2-Q4 PolarHBondContact O-N 3.07Å; Q4-F6 VanDerWaalsContact C-N 3.28Å; Q4-F6 PolarHBondContact O-N 3.44Å; Q4-N7 PolarHBondContact O-N 2.7Å; Q4-N7 VanDerWaalsContact O-N 3.14Å; Q4-E8 HydrophobicContact CG-CG 4.46Å; Q4-E8 VanDerWaalsContact CG-OE1 3.26Å; Q4-E8 WeakPolarHBondContact CG-OE1 3.47Å; Q4-E8 PolarHBondContact NE2-OE1 3.04Å; Q4-E8 WeakPolarHBondContact O-CG 3.41Å; Q4-E8 PolarHBondContact O-N 2.8Å
5A87.3Confident89.1Confident36 Ų3668.6 Ų68.630%0.29836%0.358SS..Hα-helixtrans-63.2-36-179.700000112.1M1 S2 F9M1-A5 HydrophobicContact CG-CB 3.86Å; S2-A5 PolarHBondContact O-N 3.14Å; S2-A5 VanDerWaalsContact O-N 3.14Å; S2-A5 WeakPolarHBondContact OG-CB 3.32Å; S2-A5 PolarHBondContact OG-N 3.2Å; A5-F9 VanDerWaalsContact O-CB 3.31Å; A5-F9 WeakPolarHBondContact O-CB 3.48Å; A5-F9 PolarHBondContact O-N 2.74Å
6F89.8Confident89.4Confident103 Ų10365.1 Ų65.145%0.45234%0.344SS..Hα-helixtrans-64.6-44.7173.4179.2-101.3000111.8M1 S2 K3 Q4 F9 L10M1-F6 HydrophobicContact CG-CB 4.35Å; M1-F6 HydrophobicContact SD-CB 3.85Å; M1-F6 HydrophobicContact SD-CD2 4.11Å; S2-F6 PolarHBondContact O-N 3.25Å; K3-F6 PolarHBondContact O-N 2.69Å; Q4-F6 VanDerWaalsContact C-N 3.28Å; Q4-F6 PolarHBondContact O-N 3.44Å; F6-F9 PolarHBondContact O-N 3.23Å; F6-L10 HydrophobicContact CE1-CD2 4.16Å; F6-L10 HydrophobicContact CZ-CD2 4.35Å; F6-L10 WeakPolarHBondContact O-CB 3.48Å; F6-L10 PolarHBondContact O-N 3.22Å
7N92Very high89.9Confident13 Ų1363.8 Ų63.87%0.0734%0.337CS..Hα-helixtrans-63.2-42.6178.3-71.9-1.9000112K3 Q4 L10 A11 Y266 L269K3-N7 WeakPolarHBondContact O-CB 3.35Å; K3-N7 PolarHBondContact O-N 3.35Å; K3-N7 PolarHBondContact O-OD1 2.97Å; Q4-N7 PolarHBondContact O-N 2.7Å; Q4-N7 VanDerWaalsContact O-N 3.14Å; N7-L10 PolarHBondContact O-N 3.01Å; N7-A11 VanDerWaalsContact O-CB 3.24Å; N7-A11 WeakPolarHBondContact O-CB 3.16Å; N7-A11 PolarHBondContact O-N 3.09Å; N7-Y266 HydrophobicContact CB-CD2 4.22Å; N7-Y266 HydrophobicContact CB-CE2 4.23Å; N7-L269 HydrophobicContact CB-CB 4.09Å; N7-L269 HydrophobicContact CB-CD1 4.26Å; N7-L269 PolarHBondContact ND2-O 3.24Å
8E90.8Very high90.3Very high68 Ų6861.6 Ų61.632%0.31833%0.329SS..Hα-helixtrans-63.4-43.9175.8-70.6170.9-175.700111.4Q4 G12 Y266Q4-E8 HydrophobicContact CG-CG 4.46Å; Q4-E8 VanDerWaalsContact CG-OE1 3.26Å; Q4-E8 WeakPolarHBondContact CG-OE1 3.47Å; Q4-E8 PolarHBondContact NE2-OE1 3.04Å; Q4-E8 WeakPolarHBondContact O-CG 3.41Å; Q4-E8 PolarHBondContact O-N 2.8Å; E8-G12 PolarHBondContact O-N 3.27Å; E8-Y266 HydrophobicContact CG-CD2 4.17Å; E8-Y266 HydrophobicContact CG-CE2 3.45Å; E8-Y266 VanDerWaalsContact CG-CE2 3.45Å; E8-Y266 PolarHBondContact OE1-OH 3.25Å
9F89.7Confident90.6Very high126 Ų12658.3 Ų58.355%0.55331%0.312SS*.Hα-helixtrans-61.4-47.5176.2176.6-97.4000112A5 F6 G12 A13A5-F9 VanDerWaalsContact O-CB 3.31Å; A5-F9 WeakPolarHBondContact O-CB 3.48Å; A5-F9 PolarHBondContact O-N 2.74Å; F6-F9 PolarHBondContact O-N 3.23Å; F9-G12 PolarHBondContact O-N 3.49Å; F9-A13 WeakPolarHBondContact O-CB 3.35Å; F9-A13 PolarHBondContact O-N 2.96Å
10L92.9Very high90.8Very high57 Ų5756.9 Ų56.930%0.29830%0.304SS..Hα-helixtrans-66.9-44-178.9-176.258.3000111.8F6 N7 G12 A13 I14 L269F6-L10 HydrophobicContact CE1-CD2 4.16Å; F6-L10 HydrophobicContact CZ-CD2 4.35Å; F6-L10 WeakPolarHBondContact O-CB 3.48Å; F6-L10 PolarHBondContact O-N 3.22Å; N7-L10 PolarHBondContact O-N 3.01Å; L10-G12 VanDerWaalsContact C-N 3.33Å; L10-G12 PolarHBondContact O-N 2.84Å; L10-A13 PolarHBondContact O-N 2.62Å; L10-I14 HydrophobicContact CD1-CD1 3.95Å; L10-I14 HydrophobicContact CD1-CG1 4.33Å; L10-I14 HydrophobicContact CG-CD1 4.04Å; L10-I14 WeakPolarHBondContact O-CG1 3.49Å; L10-I14 PolarHBondContact O-N 2.94Å; L10-L269 HydrophobicContact CB-CD1 4.09Å; L10-L269 HydrophobicContact CD2-CD1 3.85Å; L10-L269 HydrophobicContact CD2-CD2 4.22Å; L10-L269 HydrophobicContact CG-CD1 4.1Å
11A94.4Very high91.1Very high0 Ų056.2 Ų56.20%030%0.302CS..Hα-helixtrans-61-42.7174.500000111.7N7 G15 Y262 V265N7-A11 VanDerWaalsContact O-CB 3.24Å; N7-A11 WeakPolarHBondContact O-CB 3.16Å; N7-A11 PolarHBondContact O-N 3.09Å; A11-G15 PolarHBondContact O-N 2.99Å; A11-Y262 HydrophobicContact CB-CD2 3.71Å; A11-Y262 HydrophobicContact CB-CE2 3.82Å; A11-Y262 HydrophobicContact CB-CG 4.44Å; A11-V265 HydrophobicContact CB-CB 4.14Å; A11-V265 HydrophobicContact CB-CG1 3.9Å
12G92.6Very high92.8Very high29 Ų2950.9 Ų50.930%0.29928%0.279SS..Hα-helixtrans-61.5-44.8175.300000112.7E8 F9 L10 G15 G16E8-G12 PolarHBondContact O-N 3.27Å; F9-G12 PolarHBondContact O-N 3.49Å; L10-G12 VanDerWaalsContact C-N 3.33Å; L10-G12 PolarHBondContact O-N 2.84Å; G12-G15 PolarHBondContact O-N 3.19Å; G12-G16 PolarHBondContact O-N 2.98Å
13A93.2Very high93.4Very high26 Ų2647.4 Ų47.422%0.21526%0.255CS..Hα-helixtrans-64.2-4517900000112.3F9 L10 G16 L17F9-A13 WeakPolarHBondContact O-CB 3.35Å; F9-A13 PolarHBondContact O-N 2.96Å; L10-A13 PolarHBondContact O-N 2.62Å; A13-G16 PolarHBondContact O-N 3.33Å; A13-L17 WeakPolarHBondContact O-CG 3.38Å; A13-L17 PolarHBondContact O-N 3.24Å
14I95.7Very high93.8Very high73 Ų7341.3 Ų41.337%0.37423%0.229SC..Hα-helixtrans-67.7-44.1178.4-66.3170.9000110.6L10 G16 L17 A18 V261 V265L10-I14 HydrophobicContact CD1-CD1 3.95Å; L10-I14 HydrophobicContact CD1-CG1 4.33Å; L10-I14 HydrophobicContact CG-CD1 4.04Å; L10-I14 WeakPolarHBondContact O-CG1 3.49Å; L10-I14 PolarHBondContact O-N 2.94Å; I14-G16 VanDerWaalsContact C-N 3.34Å; I14-G16 PolarHBondContact O-N 2.96Å; I14-L17 PolarHBondContact O-N 3.41Å; I14-A18 WeakPolarHBondContact O-CB 3.37Å; I14-A18 PolarHBondContact O-N 3.35Å; I14-V261 HydrophobicContact CG2-CG1 3.82Å; I14-V265 HydrophobicContact CB-CG2 4.46Å; I14-V265 HydrophobicContact CD1-CG1 4.07Å; I14-V265 HydrophobicContact CG2-CG2 3.98Å
15G96Very high94.2Very high0 Ų037.2 Ų37.20%021%0.212CC..Hα-helixtrans-57.9-45.2175.100000112.2A11 G12 A18 G19A11-G15 PolarHBondContact O-N 2.99Å; G12-G15 PolarHBondContact O-N 3.19Å; G15-A18 PolarHBondContact O-N 3.24Å; G15-G19 PolarHBondContact O-N 2.9Å
16G94.3Very high94.7Very high12 Ų1236.7 Ų36.712%0.12420%0.204CC..Hα-helixtrans-64.6-40.8177.700000113.7G12 A13 I14 G19 L20G12-G16 PolarHBondContact O-N 2.98Å; A13-G16 PolarHBondContact O-N 3.33Å; I14-G16 VanDerWaalsContact C-N 3.34Å; I14-G16 PolarHBondContact O-N 2.96Å; G16-G19 PolarHBondContact O-N 3.2Å; G16-L20 WeakPolarHBondContact O-CB 3.31Å; G16-L20 PolarHBondContact O-N 2.86Å
17L96.6Very high95Very high43 Ų4332 Ų3223%0.22518%0.184CC..Hα-helixtrans-66.4-38174.3-75.5173.3000112.5A13 I14 L20 T21 F65 Y68A13-L17 WeakPolarHBondContact O-CG 3.38Å; A13-L17 PolarHBondContact O-N 3.24Å; I14-L17 PolarHBondContact O-N 3.41Å; L17-L20 HydrophobicContact CD2-CD2 4.48Å; L17-T21 WeakPolarHBondContact O-CB 3.26Å; L17-T21 PolarHBondContact O-N 2.91Å; L17-T21 PolarHBondContact O-OG1 3.14Å; L17-F65 HydrophobicContact CB-CE2 4.18Å; L17-F65 HydrophobicContact CD1-CZ 4.4Å; L17-F65 HydrophobicContact CD2-CD2 3.82Å; L17-F65 HydrophobicContact CD2-CE2 3.89Å; L17-F65 HydrophobicContact CD2-CG 4.21Å; L17-F65 HydrophobicContact CD2-CZ 4.33Å; L17-F65 HydrophobicContact CG-CE2 4.44Å; L17-Y68 HydrophobicContact CD2-CD1 3.69Å; L17-Y68 HydrophobicContact CD2-CD2 4.49Å; L17-Y68 HydrophobicContact CD2-CE1 4.5Å; L17-Y68 HydrophobicContact CD2-CG 3.7Å; L17-Y68 HydrophobicContact CG-CD1 3.77Å; L17-Y68 HydrophobicContact CG-CE1 4.18Å; L17-Y68 HydrophobicContact CG-CG 4.26Å
18A97.1Very high95.2Very high24 Ų2431.4 Ų31.420%0.19818%0.181CC..Hα-helixtrans-64.6-48.3174.800000110.9I14 G15 L20 T21 V22 V261I14-A18 WeakPolarHBondContact O-CB 3.37Å; I14-A18 PolarHBondContact O-N 3.35Å; G15-A18 PolarHBondContact O-N 3.24Å; A18-L20 PolarHBondContact O-N 3.37Å; A18-T21 PolarHBondContact O-N 2.88Å; A18-T21 VanDerWaalsContact O-N 3.12Å; A18-V22 WeakPolarHBondContact O-CG2 3.17Å; A18-V22 PolarHBondContact O-N 3.43Å; A18-V261 HydrophobicContact CB-CB 4.21Å; A18-V261 HydrophobicContact CB-CG1 4.02Å; A18-V261 HydrophobicContact CB-CG2 3.82Å
19G96.5Very high95.5Very high0 Ų028.5 Ų28.50%017%0.168CC..Hα-helixtrans-57.7-45.6174.900000112.5G15 G16 T21 V22 G23G15-G19 PolarHBondContact O-N 2.9Å; G16-G19 PolarHBondContact O-N 3.2Å; G19-T21 VanDerWaalsContact C-N 3.31Å; G19-T21 PolarHBondContact O-N 3.2Å; G19-V22 PolarHBondContact O-N 3.24Å; G19-G23 PolarHBondContact O-N 3Å
20L95.5Very high95.8Very high29 Ų2923.3 Ų23.315%0.15215%0.145CC..Hα-helixtrans-56.3-45.7174.2176.366.8000111.5G16 L17 A18 H24 L61 P64 F65G16-L20 WeakPolarHBondContact O-CB 3.31Å; G16-L20 PolarHBondContact O-N 2.86Å; L17-L20 HydrophobicContact CD2-CD2 4.48Å; A18-L20 PolarHBondContact O-N 3.37Å; L20-H24 WeakPolarHBondContact O-CB 3.41Å; L20-H24 PolarHBondContact O-N 3.44Å; L20-H24 VanDerWaalsContact O-N 3.17Å; L20-L61 HydrophobicContact CD2-CD1 4.3Å; L20-L61 HydrophobicContact CG-CD1 3.98Å; L20-P64 HydrophobicContact CD1-CB 4.2Å; L20-P64 HydrophobicContact CD2-CB 4.02Å; L20-F65 HydrophobicContact CD2-CB 4.39Å
21T97Very high95.9Very high43 Ų4320.7 Ų20.726%0.26413%0.131SC..Hα-helixtrans-68.3-47-177.1-580000111.8L17 A18 G19 H24 F58 L61L17-T21 WeakPolarHBondContact O-CB 3.26Å; L17-T21 PolarHBondContact O-N 2.91Å; L17-T21 PolarHBondContact O-OG1 3.14Å; A18-T21 PolarHBondContact O-N 2.88Å; A18-T21 VanDerWaalsContact O-N 3.12Å; G19-T21 VanDerWaalsContact C-N 3.31Å; G19-T21 PolarHBondContact O-N 3.2Å; T21-H24 WeakPolarHBondContact O-CB 3.27Å; T21-H24 PolarHBondContact O-N 3.45Å; T21-F58 HydrophobicContact CG2-CE1 4.37Å; T21-L61 HydrophobicContact CG2-CD2 4.03Å
22V97.1Very high95.9Very high69 Ų6920.8 Ų20.842%0.41813%0.131SC..Hα-helixtrans-69.2-34.4-179.3175.50000111.8A18 G19 H24 P25 V253A18-V22 WeakPolarHBondContact O-CG2 3.17Å; A18-V22 PolarHBondContact O-N 3.43Å; G19-V22 PolarHBondContact O-N 3.24Å; V22-H24 VanDerWaalsContact C-N 3.33Å; V22-P25 WeakPolarHBondContact O-CD 3.43Å; V22-V253 HydrophobicContact CG1-CG1 3.54Å
23G96.6Very high96Very high1 Ų119.9 Ų19.91%0.0112%0.12CC..Hα-helixtrans-76.7-16.2176.500000114.7G19 L26 D27G19-G23 PolarHBondContact O-N 3Å; G23-L26 WeakPolarHBondContact O-CB 3.45Å; G23-L26 PolarHBondContact O-N 3.25Å; G23-D27 PolarHBondContact O-N 2.84Å; G23-D27 VanDerWaalsContact O-N 3.09Å
24H96.8Very high96Very high0 Ų018.7 Ų18.70%011%0.11CC..Hα-helixtrans-64.3-38.5-170.9-166.286.6000114.7L20 T21 V22 L26 D27 T28 F57 T59 L61 Q122L20-H24 WeakPolarHBondContact O-CB 3.41Å; L20-H24 PolarHBondContact O-N 3.44Å; L20-H24 VanDerWaalsContact O-N 3.17Å; T21-H24 WeakPolarHBondContact O-CB 3.27Å; T21-H24 PolarHBondContact O-N 3.45Å; V22-H24 VanDerWaalsContact C-N 3.33Å; H24-L26 VanDerWaalsContact C-N 3.28Å; H24-L26 PolarHBondContact O-N 3.04Å; H24-D27 WeakPolarHBondContact O-CB 3.1Å; H24-D27 PolarHBondContact O-N 2.83Å; H24-D27 VanDerWaalsContact O-N 3.13Å; H24-T28 PolarHBondContact O-N 3.34Å; H24-T28 PolarHBondContact O-OG1 2.86Å; H24-F57 PolarHBondContact CD2-O 2.85Å; H24-T59 PolarHBondContact CE1-O 3.16Å; H24-T59 PolarHBondContact NE2-O 3.23Å; H24-L61 HydrophobicContact CB-CD1 4.05Å; H24-L61 WeakPolarHBondContact CE1-CA 3.42Å; H24-L61 PolarHBondContact CE1-N 3.47Å; H24-L61 VanDerWaalsContact CE1-N 3.26Å; H24-L61 PolarHBondContact NE2-N 3.02Å; H24-Q122 PolarHBondContact CE1-NE2 3.47Å; H24-Q122 VanDerWaalsContact CE1-NE2 3.32Å; H24-Q122 PolarHBondContact NE2-NE2 3.46Å
25P97.2Very high95.7Very high29 Ų2916.7 Ų16.719%0.18810%0.102CC..Hα-helixtrans-54.8-42.5171.8-29.538000113.5V22 T28 I29 F57 F58V22-P25 WeakPolarHBondContact O-CD 3.43Å; P25-T28 PolarHBondContact O-N 3.35Å; P25-I29 WeakPolarHBondContact O-CG1 3.45Å; P25-I29 PolarHBondContact O-N 2.99Å; P25-F57 HydrophobicContact CB-CB 3.97Å; P25-F57 HydrophobicContact CB-CD1 4.13Å; P25-F57 HydrophobicContact CB-CG 4.34Å; P25-F57 HydrophobicContact CG-CB 4.26Å; P25-F58 HydrophobicContact CG-CD1 4.45Å; P25-F58 HydrophobicContact CG-CE1 3.8Å; P25-F58 HydrophobicContact CG-CE2 4.11Å; P25-F58 HydrophobicContact CG-CZ 3.61Å
26L97Very high95.3Very high26 Ų2618 Ų1814%0.13611%0.111CC..Hα-helixtrans-68.1-36.7177.2-65.3170.1000111.3G23 H24 T28 I29 K30 F42 V246 T249 R250 V253G23-L26 WeakPolarHBondContact O-CB 3.45Å; G23-L26 PolarHBondContact O-N 3.25Å; H24-L26 VanDerWaalsContact C-N 3.28Å; H24-L26 PolarHBondContact O-N 3.04Å; L26-T28 VanDerWaalsContact C-N 3.32Å; L26-T28 PolarHBondContact O-N 2.65Å; L26-I29 PolarHBondContact O-N 3.01Å; L26-K30 WeakPolarHBondContact O-CB 3.24Å; L26-K30 PolarHBondContact O-N 3.24Å; L26-F42 HydrophobicContact CD2-CE2 4.42Å; L26-V246 HydrophobicContact CB-CG1 3.86Å; L26-V246 HydrophobicContact CD2-CG1 4.07Å; L26-V246 WeakPolarHBondContact O-CG1 3.43Å; L26-T249 HydrophobicContact CD1-CG2 4.32Å; L26-R250 HydrophobicContact CB-CB 3.99Å; L26-R250 HydrophobicContact CB-CG 4.29Å; L26-R250 VanDerWaalsContact CD1-CA 3.5Å; L26-R250 HydrophobicContact CD1-CB 3.74Å; L26-R250 HydrophobicContact CD1-CG 4.36Å; L26-V253 HydrophobicContact CD1-CG2 4.5Å
27D96.1Very high94.7Very high5 Ų522.7 Ų22.73%0.02714%0.142CC..Hα-helixtrans-59.8-43171.6-79.5-21.4000111.9G23 H24 K30 V31 K118 R250G23-D27 PolarHBondContact O-N 2.84Å; G23-D27 VanDerWaalsContact O-N 3.09Å; H24-D27 WeakPolarHBondContact O-CB 3.1Å; H24-D27 PolarHBondContact O-N 2.83Å; H24-D27 VanDerWaalsContact O-N 3.13Å; D27-K30 WeakPolarHBondContact O-CB 3.23Å; D27-K30 PolarHBondContact O-N 3.4Å; D27-V31 WeakPolarHBondContact O-CG2 3.27Å; D27-V31 PolarHBondContact O-N 3.37Å; D27-K118 IonicContact OD2-NZ 2.76Å; D27-K118 PolarHBondContact OD2-NZ 3.35Å; D27-R250 WeakPolarHBondContact OD1-CD 3.2Å; D27-R250 IonicContact OD1-CZ 3.47Å; D27-R250 IonicContact OD1-NE 2.7Å; D27-R250 PolarHBondContact OD1-NE 2.99Å; D27-R250 IonicContact OD1-NH2 3.78Å; D27-R250 IonicContact OD2-NE 3.56Å; D27-R250 IonicContact OD2-NH2 3.68Å
28T96.6Very high94.2Very high0 Ų029.3 Ų29.30%016%0.164CC..Hα-helixtrans-64.8-45.1179.6-58.90000111H24 P25 L26 K30 V31 V32 I49 F57 T59 Q122 A125H24-T28 PolarHBondContact O-N 3.34Å; H24-T28 PolarHBondContact O-OG1 2.86Å; P25-T28 PolarHBondContact O-N 3.35Å; L26-T28 VanDerWaalsContact C-N 3.32Å; L26-T28 PolarHBondContact O-N 2.65Å; T28-K30 VanDerWaalsContact C-N 3.34Å; T28-K30 PolarHBondContact O-N 2.84Å; T28-V31 PolarHBondContact O-N 2.9Å; T28-V32 WeakPolarHBondContact O-CG2 3.08Å; T28-V32 PolarHBondContact O-N 3.45Å; T28-I49 HydrophobicContact CG2-CD1 4Å; T28-F57 WeakPolarHBondContact CB-O 3.3Å; T28-F57 PolarHBondContact OG1-O 2.88Å; T28-T59 HydrophobicContact CG2-CG2 4.37Å; T28-Q122 HydrophobicContact CG2-CB 4.47Å; T28-Q122 HydrophobicContact CG2-CG 4.38Å; T28-Q122 PolarHBondContact OG1-NE2 3.14Å; T28-A125 HydrophobicContact CG2-CB 3.42Å; T28-A125 VanDerWaalsContact CG2-CB 3.42Å
29I96.9Very high93.6Very high7 Ų733.7 Ų33.74%0.03618%0.184CC..Hα-helixtrans-59.8-45.9174.5-64.6164.7000110.5P25 L26 V31 V32 L33 F42 A45 I49 F57 V246P25-I29 WeakPolarHBondContact O-CG1 3.45Å; P25-I29 PolarHBondContact O-N 2.99Å; L26-I29 PolarHBondContact O-N 3.01Å; I29-V31 PolarHBondContact O-N 2.71Å; I29-V32 PolarHBondContact O-N 3.48Å; I29-L33 HydrophobicContact CG2-CD1 3.88Å; I29-L33 HydrophobicContact CG2-CG 4.26Å; I29-L33 VanDerWaalsContact O-CG 3.29Å; I29-L33 WeakPolarHBondContact O-CG 3.27Å; I29-L33 PolarHBondContact O-N 3.4Å; I29-F42 HydrophobicContact CD1-CE2 3.85Å; I29-F42 HydrophobicContact CD1-CZ 4.02Å; I29-F42 HydrophobicContact CG2-CD2 3.81Å; I29-F42 HydrophobicContact CG2-CE2 3.87Å; I29-A45 HydrophobicContact CG2-CB 4.21Å; I29-I49 HydrophobicContact CG1-CD1 3.87Å; I29-F57 HydrophobicContact CD1-CD1 4.35Å; I29-F57 HydrophobicContact CD1-CE1 3.87Å; I29-F57 HydrophobicContact CG1-CD1 4.21Å; I29-F57 HydrophobicContact CG1-CE1 3.81Å; I29-V246 HydrophobicContact CG2-CG2 4.26Å
30K96.4Very high93.4Very high17 Ų1734.6 Ų34.67%0.07419%0.189CC..Hα-helixtrans-56.2-49.1177.7-174.9-165.173.7156.90111.3L26 D27 T28 V32 L33 Q34 D210 V246 V247L26-K30 WeakPolarHBondContact O-CB 3.24Å; L26-K30 PolarHBondContact O-N 3.24Å; D27-K30 WeakPolarHBondContact O-CB 3.23Å; D27-K30 PolarHBondContact O-N 3.4Å; T28-K30 VanDerWaalsContact C-N 3.34Å; T28-K30 PolarHBondContact O-N 2.84Å; K30-V32 VanDerWaalsContact C-N 3.34Å; K30-V32 PolarHBondContact O-N 2.95Å; K30-L33 PolarHBondContact O-N 3.24Å; K30-Q34 HydrophobicContact CG-CG 4.32Å; K30-Q34 WeakPolarHBondContact O-CB 3.03Å; K30-Q34 VanDerWaalsContact O-CG 3.32Å; K30-Q34 WeakPolarHBondContact O-CG 3.42Å; K30-Q34 PolarHBondContact O-N 3.45Å; K30-D210 IonicContact NZ-OD1 3.22Å; K30-D210 IonicContact NZ-OD2 3.86Å; K30-D210 PolarHBondContact NZ-OD2 3.23Å; K30-V246 HydrophobicContact CB-CG1 4.06Å; K30-V247 HydrophobicContact CD-CG2 3.39Å; K30-V247 HydrophobicContact CG-CG2 4.11Å
31V95.1Very high93.3Very high2 Ų236.9 Ų36.91%0.01220%0.204CC..Hα-helixtrans-62.4-42.5-179.7168.10000111D27 T28 I29 L33 Q34 S35 I119 Q122 C123 T214D27-V31 WeakPolarHBondContact O-CG2 3.27Å; D27-V31 PolarHBondContact O-N 3.37Å; T28-V31 PolarHBondContact O-N 2.9Å; I29-V31 PolarHBondContact O-N 2.71Å; V31-L33 PolarHBondContact O-N 2.99Å; V31-Q34 PolarHBondContact O-N 3.24Å; V31-S35 VanDerWaalsContact O-CB 3.25Å; V31-S35 WeakPolarHBondContact O-CB 3.24Å; V31-S35 PolarHBondContact O-N 3.34Å; V31-S35 PolarHBondContact O-OG 2.88Å; V31-I119 HydrophobicContact CG1-CG2 4Å; V31-I119 HydrophobicContact CG2-CG1 4.26Å; V31-Q122 HydrophobicContact CB-CB 3.92Å; V31-Q122 HydrophobicContact CG1-CB 3.72Å; V31-Q122 HydrophobicContact CG2-CB 4.27Å; V31-C123 VanDerWaalsContact CG1-SG 3.51Å; V31-T214 HydrophobicContact CB-CG2 4.48Å; V31-T214 HydrophobicContact CG1-CG2 4.22Å; V31-T214 HydrophobicContact CG2-CG2 4.25Å
32V94.2Very high93.1Very high1 Ų139.9 Ų39.91%0.00621%0.214CC..Hα-helixtrans-60.4-45175.3170.30000111.1T28 I29 K30 Q34 S36 L40 A45 I49 A125T28-V32 WeakPolarHBondContact O-CG2 3.08Å; T28-V32 PolarHBondContact O-N 3.45Å; I29-V32 PolarHBondContact O-N 3.48Å; K30-V32 VanDerWaalsContact C-N 3.34Å; K30-V32 PolarHBondContact O-N 2.95Å; V32-Q34 PolarHBondContact O-N 2.96Å; V32-S36 WeakPolarHBondContact O-CB 3.36Å; V32-S36 PolarHBondContact O-N 2.92Å; V32-L40 HydrophobicContact CG1-CD1 4.04Å; V32-A45 HydrophobicContact CG1-CB 3.94Å; V32-I49 HydrophobicContact CG2-CD1 4.13Å; V32-I49 HydrophobicContact CG2-CG1 4.31Å; V32-A125 HydrophobicContact CG2-CB 4.38Å
33L94.3Very high93.1Very high10 Ų1043.5 Ų43.55%0.05222%0.224CC..Hα-helixtrans-62.5-40.1177.3-69.3171.6000113.2I29 K30 V31 L40 T41 A45 V246I29-L33 HydrophobicContact CG2-CD1 3.88Å; I29-L33 HydrophobicContact CG2-CG 4.26Å; I29-L33 VanDerWaalsContact O-CG 3.29Å; I29-L33 WeakPolarHBondContact O-CG 3.27Å; I29-L33 PolarHBondContact O-N 3.4Å; K30-L33 PolarHBondContact O-N 3.24Å; V31-L33 PolarHBondContact O-N 2.99Å; L33-L40 HydrophobicContact CD2-CB 3.94Å; L33-L40 WeakPolarHBondContact CD2-O 3.18Å; L33-T41 WeakPolarHBondContact CD2-O 3.37Å; L33-A45 HydrophobicContact CD2-CB 3.62Å; L33-A45 HydrophobicContact CG-CB 3.92Å; L33-V246 HydrophobicContact CD1-CG2 3.73Å
34Q92.5Very high93Very high1 Ų147.3 Ų47.31%0.00524%0.241CC..Hα-helixtrans-81.5-36.5-175.6-70.9179.1-19.700113K30 V31 V32 D210 V211 T214 R215 R242K30-Q34 HydrophobicContact CG-CG 4.32Å; K30-Q34 WeakPolarHBondContact O-CB 3.03Å; K30-Q34 VanDerWaalsContact O-CG 3.32Å; K30-Q34 WeakPolarHBondContact O-CG 3.42Å; K30-Q34 PolarHBondContact O-N 3.45Å; V31-Q34 PolarHBondContact O-N 3.24Å; V32-Q34 PolarHBondContact O-N 2.96Å; Q34-D210 PolarHBondContact NE2-OD2 3.05Å; Q34-D210 VanDerWaalsContact NE2-OD2 3.16Å; Q34-D210 PolarHBondContact OE1-OD2 3.38Å; Q34-V211 HydrophobicContact CG-CG2 4.13Å; Q34-T214 HydrophobicContact CB-CG2 3.77Å; Q34-T214 VanDerWaalsContact OE1-CB 3.29Å; Q34-T214 PolarHBondContact OE1-OG1 3.41Å; Q34-R215 WeakPolarHBondContact O-CG 3.41Å; Q34-R215 PolarHBondContact O-NE 3.46Å; Q34-R242 VanDerWaalsContact CG-O 3.32Å; Q34-R242 WeakPolarHBondContact CG-O 3.39Å; Q34-R242 PolarHBondContact NE2-O 2.9Å
35S89.9Confident92.9Very high31 Ų3147.3 Ų47.322%0.21724%0.241CC..Hα-helixtrans-86.6-22.7-177.864.20000113.6V31 S37 C123V31-S35 VanDerWaalsContact O-CB 3.25Å; V31-S35 WeakPolarHBondContact O-CB 3.24Å; V31-S35 PolarHBondContact O-N 3.34Å; V31-S35 PolarHBondContact O-OG 2.88Å; S35-S37 PolarHBondContact O-N 3.01Å; S35-C123 PolarHBondContact OG-SG 3.35Å; S35-C123 VanDerWaalsContact OG-SG 3.37Å
36S87.9Confident92.8Very high28 Ų2847.1 Ų47.120%0.19624%0.24CC..  trans-63.7136.6176.8-174.70000111.6V32 R38 L40 R215V32-S36 WeakPolarHBondContact O-CB 3.36Å; V32-S36 PolarHBondContact O-N 2.92Å; S36-R38 VanDerWaalsContact C-N 3.26Å; S36-R38 PolarHBondContact OG-N 3.49Å; S36-R38 PolarHBondContact OG-O 2.91Å; S36-L40 WeakPolarHBondContact OG-CD1 3.48Å; S36-R215 PolarHBondContact O-NH2 3.31Å
37S82.2Confident92.8Very high110 Ų11049 Ų4977%0.76925%0.25SC*.SBendtrans-69.7-28.7170.7-60.40000111.3S35S35-S37 PolarHBondContact O-N 3.01Å
38R84.4Confident92.7Very high182 Ų18251 Ų5169%0.68726%0.261SS*.SBendtrans-81.6144.6175.4-64178.967.5177-1.7109.8S36 L40S36-R38 VanDerWaalsContact C-N 3.26Å; S36-R38 PolarHBondContact OG-N 3.49Å; S36-R38 PolarHBondContact OG-O 2.91Å; R38-L40 VanDerWaalsContact C-N 3.28Å; R38-L40 HydrophobicContact CB-CD2 4.19Å; R38-L40 HydrophobicContact CB-CG 4.32Å; R38-L40 PolarHBondContact O-N 3.46Å
39N86.2Confident92.6Very high116 Ų11651 Ų5162%0.6226%0.261SS*.  trans-77.480.8172.2-17038.8000110R242N39-R242 VanDerWaalsContact OD1-CZ 3.31Å; N39-R242 PolarHBondContact OD1-NE 3.21Å; N39-R242 PolarHBondContact OD1-NH2 2.95Å
40L91.1Very high92.5Very high19 Ų1954.3 Ų54.310%0.09928%0.278CS..  trans-76.3142.6179.2-61.1174.3000110.8V32 L33 S36 R38 E44 L48V32-L40 HydrophobicContact CG1-CD1 4.04Å; L33-L40 HydrophobicContact CD2-CB 3.94Å; L33-L40 WeakPolarHBondContact CD2-O 3.18Å; S36-L40 WeakPolarHBondContact OG-CD1 3.48Å; R38-L40 VanDerWaalsContact C-N 3.28Å; R38-L40 HydrophobicContact CB-CD2 4.19Å; R38-L40 HydrophobicContact CB-CG 4.32Å; R38-L40 PolarHBondContact O-N 3.46Å; L40-E44 HydrophobicContact CB-CB 4.49Å; L40-E44 HydrophobicContact CD2-CB 4.19Å; L40-L48 HydrophobicContact CD1-CD1 3.75Å; L40-L48 HydrophobicContact CD2-CD1 4.07Å
41T93.3Very high92.3Very high77 Ų7759.9 Ų59.947%0.47230%0.304SS..  trans-80.2164.6165.462.90000110.7L33 K43 E44 A45L33-T41 WeakPolarHBondContact CD2-O 3.37Å; T41-K43 PolarHBondContact O-N 3.28Å; T41-E44 WeakPolarHBondContact CB-OE2 3.34Å; T41-E44 WeakPolarHBondContact CG2-OE2 3.37Å; T41-E44 PolarHBondContact N-OE2 2.84Å; T41-E44 PolarHBondContact O-N 3.47Å; T41-E44 VanDerWaalsContact OG1-CG 3.27Å; T41-E44 WeakPolarHBondContact OG1-CG 3.32Å; T41-E44 PolarHBondContact OG1-N 2.94Å; T41-E44 PolarHBondContact OG1-OE2 3.36Å; T41-A45 PolarHBondContact O-N 3.26Å
42F94.1Very high92.1Very high107 Ų10761.2 Ų61.247%0.46931%0.312SS..Hα-helixtrans-54.2-42.8175.3177.3-94.9000112.3L26 I29 T46 V246L26-F42 HydrophobicContact CD2-CE2 4.42Å; I29-F42 HydrophobicContact CD1-CE2 3.85Å; I29-F42 HydrophobicContact CD1-CZ 4.02Å; I29-F42 HydrophobicContact CG2-CD2 3.81Å; I29-F42 HydrophobicContact CG2-CE2 3.87Å; F42-T46 WeakPolarHBondContact O-CB 3.35Å; F42-T46 PolarHBondContact O-N 3.49Å; F42-T46 PolarHBondContact O-OG1 3.48Å; F42-V246 HydrophobicContact CD2-CG2 3.62Å; F42-V246 HydrophobicContact CE2-CG2 3.98Å
43K95.5Very high91.9Very high145 Ų14562.5 Ų62.563%0.6333%0.326SS*.Hα-helixtrans-65.1-51179.7-174.2-179175.4-1730111T41 A45 T46 D47T41-K43 PolarHBondContact O-N 3.28Å; K43-A45 VanDerWaalsContact C-N 3.33Å; K43-A45 PolarHBondContact O-N 3.09Å; K43-T46 WeakPolarHBondContact O-CB 3.15Å; K43-T46 PolarHBondContact O-N 2.87Å; K43-D47 WeakPolarHBondContact CG-OD2 3.35Å; K43-D47 WeakPolarHBondContact O-CB 3.38Å; K43-D47 VanDerWaalsContact O-CG 3.26Å; K43-D47 PolarHBondContact O-N 3.46Å
44E94.8Very high91.9Very high80 Ų8068 Ų6837%0.37435%0.354SS..Hα-helixtrans-59.4-42.1179-69.4165.2133.100112.3L40 T41 T46 D47 L48L40-E44 HydrophobicContact CB-CB 4.49Å; L40-E44 HydrophobicContact CD2-CB 4.19Å; T41-E44 WeakPolarHBondContact CB-OE2 3.34Å; T41-E44 WeakPolarHBondContact CG2-OE2 3.37Å; T41-E44 PolarHBondContact N-OE2 2.84Å; T41-E44 PolarHBondContact O-N 3.47Å; T41-E44 VanDerWaalsContact OG1-CG 3.27Å; T41-E44 WeakPolarHBondContact OG1-CG 3.32Å; T41-E44 PolarHBondContact OG1-N 2.94Å; T41-E44 PolarHBondContact OG1-OE2 3.36Å; E44-T46 VanDerWaalsContact C-N 3.31Å; E44-T46 PolarHBondContact O-N 3.29Å; E44-D47 PolarHBondContact O-N 3.35Å; E44-L48 WeakPolarHBondContact O-CB 3.36Å; E44-L48 VanDerWaalsContact O-CG 3.23Å; E44-L48 WeakPolarHBondContact O-CG 3.31Å; E44-L48 PolarHBondContact O-N 2.85Å
45A94.9Very high91.9Very high0 Ų078.7 Ų78.70%040%0.395CS..Hα-helixtrans-63.9-37.8176.100000112.2I29 V32 L33 T41 K43 I49I29-A45 HydrophobicContact CG2-CB 4.21Å; V32-A45 HydrophobicContact CG1-CB 3.94Å; L33-A45 HydrophobicContact CD2-CB 3.62Å; L33-A45 HydrophobicContact CG-CB 3.92Å; T41-A45 PolarHBondContact O-N 3.26Å; K43-A45 VanDerWaalsContact C-N 3.33Å; K43-A45 PolarHBondContact O-N 3.09Å; A45-I49 WeakPolarHBondContact O-CD1 3.41Å; A45-I49 VanDerWaalsContact O-CG1 3.27Å; A45-I49 WeakPolarHBondContact O-CG1 3.41Å; A45-I49 PolarHBondContact O-N 3.23Å
46T96.1Very high92Very high26 Ų2679.1 Ų79.116%0.1639%0.392CS..Hα-helixtrans-67.9-45.5176.8-56.70000111F42 K43 E44 I49 L50 F57F42-T46 WeakPolarHBondContact O-CB 3.35Å; F42-T46 PolarHBondContact O-N 3.49Å; F42-T46 PolarHBondContact O-OG1 3.48Å; K43-T46 WeakPolarHBondContact O-CB 3.15Å; K43-T46 PolarHBondContact O-N 2.87Å; E44-T46 VanDerWaalsContact C-N 3.31Å; E44-T46 PolarHBondContact O-N 3.29Å; T46-I49 PolarHBondContact O-N 3.15Å; T46-L50 HydrophobicContact CG2-CD1 4.03Å; T46-L50 HydrophobicContact CG2-CG 4.5Å; T46-L50 WeakPolarHBondContact O-CG 3.49Å; T46-L50 PolarHBondContact O-N 2.87Å; T46-F57 HydrophobicContact CG2-CE1 4.25Å; T46-F57 HydrophobicContact CG2-CZ 3.83Å
47D95.6Very high92.4Very high64 Ų6478.8 Ų78.834%0.34239%0.387SS..Hα-helixtrans-62.1-44.6179-67.5-15.8000110.8K43 E44 I49 L50 E51K43-D47 WeakPolarHBondContact CG-OD2 3.35Å; K43-D47 WeakPolarHBondContact O-CB 3.38Å; K43-D47 VanDerWaalsContact O-CG 3.26Å; K43-D47 PolarHBondContact O-N 3.46Å; E44-D47 PolarHBondContact O-N 3.35Å; D47-I49 VanDerWaalsContact C-N 3.31Å; D47-I49 PolarHBondContact O-N 2.9Å; D47-L50 WeakPolarHBondContact O-CB 3.34Å; D47-L50 PolarHBondContact O-N 3.37Å; D47-L50 VanDerWaalsContact O-N 3.08Å; D47-E51 WeakPolarHBondContact O-CG 3.48Å; D47-E51 PolarHBondContact O-N 2.9Å
48L93.9Very high93Very high49 Ų4977.9 Ų77.926%0.25737%0.369SS..Hα-helixtrans-59.9-37.6174.9-73.9170.3000113L40 E44L40-L48 HydrophobicContact CD1-CD1 3.75Å; L40-L48 HydrophobicContact CD2-CD1 4.07Å; E44-L48 WeakPolarHBondContact O-CB 3.36Å; E44-L48 VanDerWaalsContact O-CG 3.23Å; E44-L48 WeakPolarHBondContact O-CG 3.31Å; E44-L48 PolarHBondContact O-N 2.85Å
49I94.9Very high93.5Very high0 Ų069.2 Ų69.20%034%0.336CS..Hα-helixtrans-70.9-40.5175.2-63.9162.5000109.9T28 I29 V32 A45 T46 D47 E51 T52 G53 R56 F57 A125T28-I49 HydrophobicContact CG2-CD1 4Å; I29-I49 HydrophobicContact CG1-CD1 3.87Å; V32-I49 HydrophobicContact CG2-CD1 4.13Å; V32-I49 HydrophobicContact CG2-CG1 4.31Å; A45-I49 WeakPolarHBondContact O-CD1 3.41Å; A45-I49 VanDerWaalsContact O-CG1 3.27Å; A45-I49 WeakPolarHBondContact O-CG1 3.41Å; A45-I49 PolarHBondContact O-N 3.23Å; T46-I49 PolarHBondContact O-N 3.15Å; D47-I49 VanDerWaalsContact C-N 3.31Å; D47-I49 PolarHBondContact O-N 2.9Å; I49-E51 VanDerWaalsContact C-N 3.33Å; I49-E51 PolarHBondContact O-N 3.41Å; I49-T52 PolarHBondContact O-N 3.41Å; I49-T52 PolarHBondContact O-OG1 3.48Å; I49-G53 PolarHBondContact O-N 2.94Å; I49-R56 HydrophobicContact CG2-CB 3.92Å; I49-F57 HydrophobicContact CB-CD1 4.49Å; I49-F57 HydrophobicContact CB-CE1 3.92Å; I49-F57 HydrophobicContact CB-CE2 4.26Å; I49-F57 HydrophobicContact CB-CZ 3.79Å; I49-F57 HydrophobicContact CD1-CD1 4.18Å; I49-F57 HydrophobicContact CD1-CE1 3.81Å; I49-F57 HydrophobicContact CG2-CD1 3.82Å; I49-F57 HydrophobicContact CG2-CD2 3.78Å; I49-F57 HydrophobicContact CG2-CE1 3.7Å; I49-F57 HydrophobicContact CG2-CE2 3.66Å; I49-F57 HydrophobicContact CG2-CG 3.85Å; I49-F57 HydrophobicContact CG2-CZ 3.62Å; I49-A125 HydrophobicContact CG1-CB 4.23Å
50L94.8Very high93.9Very high75 Ų7563.8 Ų63.839%0.39331%0.308SS..Hα-helixtrans-61.7-38.7178.6-76.4168000112.6T46 D47 T52 G53 L54 F57T46-L50 HydrophobicContact CG2-CD1 4.03Å; T46-L50 HydrophobicContact CG2-CG 4.5Å; T46-L50 WeakPolarHBondContact O-CG 3.49Å; T46-L50 PolarHBondContact O-N 2.87Å; D47-L50 WeakPolarHBondContact O-CB 3.34Å; D47-L50 PolarHBondContact O-N 3.37Å; D47-L50 VanDerWaalsContact O-N 3.08Å; L50-T52 PolarHBondContact O-N 2.91Å; L50-G53 WeakPolarHBondContact O-CA 3.47Å; L50-G53 PolarHBondContact O-N 2.96Å; L50-L54 HydrophobicContact CD2-CD2 3.42Å; L50-L54 VanDerWaalsContact CD2-CD2 3.42Å; L50-L54 HydrophobicContact CD2-CG 4.36Å; L50-F57 HydrophobicContact CD2-CE2 3.74Å; L50-F57 HydrophobicContact CD2-CZ 4.31Å; L50-F57 HydrophobicContact CG-CE2 3.94Å; L50-F57 HydrophobicContact CG-CZ 4.05Å
51E92.9Very high94.1Very high135 Ų13564 Ų6463%0.63131%0.309SS*.Hα-helixtrans-56.9-30.8173-74.1176-172.200112.4D47 I49D47-E51 WeakPolarHBondContact O-CG 3.48Å; D47-E51 PolarHBondContact O-N 2.9Å; I49-E51 VanDerWaalsContact C-N 3.33Å; I49-E51 PolarHBondContact O-N 3.41Å
52T90.1Very high94.2Very high29 Ų2962.8 Ų62.818%0.17831%0.307CS..Hα-helixtrans-87.4-9.2175.774.20000114I49 L50 R56 A125 P128I49-T52 PolarHBondContact O-N 3.41Å; I49-T52 PolarHBondContact O-OG1 3.48Å; L50-T52 PolarHBondContact O-N 2.91Å; T52-R56 WeakPolarHBondContact O-CG 3.16Å; T52-R56 VanDerWaalsContact OG1-CB 3.27Å; T52-R56 WeakPolarHBondContact OG1-CB 3.26Å; T52-R56 WeakPolarHBondContact OG1-CG 3.38Å; T52-A125 WeakPolarHBondContact CG2-O 3.28Å; T52-A125 PolarHBondContact OG1-O 2.85Å; T52-P128 HydrophobicContact CG2-CB 4.42Å; T52-P128 HydrophobicContact CG2-CG 4.12Å
53G91.5Very high94.2Very high28 Ų2859.9 Ų59.929%0.28930%0.296SS..  trans106.2149176.200000115.2I49 L50 R55 R56I49-G53 PolarHBondContact O-N 2.94Å; L50-G53 WeakPolarHBondContact O-CA 3.47Å; L50-G53 PolarHBondContact O-N 2.96Å; G53-R55 PolarHBondContact O-N 3.37Å; G53-R56 WeakPolarHBondContact O-CB 3.48Å; G53-R56 WeakPolarHBondContact O-CG 3.4Å; G53-R56 PolarHBondContact O-N 2.9Å
54L92.7Very high94.2Very high125 Ų12553.7 Ų53.765%0.65427%0.27SS*.G310 helixtrans-53.5-32-174.6-70169.7000115.2L50 R56 F57L50-L54 HydrophobicContact CD2-CD2 3.42Å; L50-L54 VanDerWaalsContact CD2-CD2 3.42Å; L50-L54 HydrophobicContact CD2-CG 4.36Å; L54-R56 PolarHBondContact O-N 3.1Å; L54-R56 VanDerWaalsContact O-N 3.15Å; L54-F57 WeakPolarHBondContact O-CD2 3.42Å; L54-F57 PolarHBondContact O-N 2.8Å
55R92.5Very high94.3Very high226 Ų22653.3 Ų53.385%0.85327%0.268SS*.G310 helixtrans-66.4-15.7178.9-65.5-177.6179.4-176.6-0.5112.9G53 F58G53-R55 PolarHBondContact O-N 3.37Å; R55-F58 PolarHBondContact O-N 3.28Å
56R93.2Very high94.4Very high41 Ų4162.4 Ų62.416%0.15530%0.304CS..G310 helixtrans-75.7-24-176.3-67.6-90.6-172.7166.28.7112.8I49 T52 G53 L54 F58 T59 E130I49-R56 HydrophobicContact CG2-CB 3.92Å; T52-R56 WeakPolarHBondContact O-CG 3.16Å; T52-R56 VanDerWaalsContact OG1-CB 3.27Å; T52-R56 WeakPolarHBondContact OG1-CB 3.26Å; T52-R56 WeakPolarHBondContact OG1-CG 3.38Å; G53-R56 WeakPolarHBondContact O-CB 3.48Å; G53-R56 WeakPolarHBondContact O-CG 3.4Å; G53-R56 PolarHBondContact O-N 2.9Å; L54-R56 PolarHBondContact O-N 3.1Å; L54-R56 VanDerWaalsContact O-N 3.15Å; R56-F58 PolarHBondContact O-N 2.89Å; R56-F58 VanDerWaalsContact O-N 3.13Å; R56-T59 WeakPolarHBondContact O-CB 3.17Å; R56-T59 VanDerWaalsContact O-CG2 3.22Å; R56-T59 WeakPolarHBondContact O-CG2 3.37Å; R56-T59 PolarHBondContact O-N 3.21Å; R56-E130 PolarHBondContact NH2-O 3.35Å
57F95.5Very high94.3Very high21 Ų2162 Ų629%0.09230%0.302CS..G310 helixtrans-55.6-29.6167.4-73.7-75000112.6H24 P25 T28 I29 T46 I49 L50 L54H24-F57 PolarHBondContact CD2-O 2.85Å; P25-F57 HydrophobicContact CB-CB 3.97Å; P25-F57 HydrophobicContact CB-CD1 4.13Å; P25-F57 HydrophobicContact CB-CG 4.34Å; P25-F57 HydrophobicContact CG-CB 4.26Å; T28-F57 WeakPolarHBondContact CB-O 3.3Å; T28-F57 PolarHBondContact OG1-O 2.88Å; I29-F57 HydrophobicContact CD1-CD1 4.35Å; I29-F57 HydrophobicContact CD1-CE1 3.87Å; I29-F57 HydrophobicContact CG1-CD1 4.21Å; I29-F57 HydrophobicContact CG1-CE1 3.81Å; T46-F57 HydrophobicContact CG2-CE1 4.25Å; T46-F57 HydrophobicContact CG2-CZ 3.83Å; I49-F57 HydrophobicContact CB-CD1 4.49Å; I49-F57 HydrophobicContact CB-CE1 3.92Å; I49-F57 HydrophobicContact CB-CE2 4.26Å; I49-F57 HydrophobicContact CB-CZ 3.79Å; I49-F57 HydrophobicContact CD1-CD1 4.18Å; I49-F57 HydrophobicContact CD1-CE1 3.81Å; I49-F57 HydrophobicContact CG2-CD1 3.82Å; I49-F57 HydrophobicContact CG2-CD2 3.78Å; I49-F57 HydrophobicContact CG2-CE1 3.7Å; I49-F57 HydrophobicContact CG2-CE2 3.66Å; I49-F57 HydrophobicContact CG2-CG 3.85Å; I49-F57 HydrophobicContact CG2-CZ 3.62Å; L50-F57 HydrophobicContact CD2-CE2 3.74Å; L50-F57 HydrophobicContact CD2-CZ 4.31Å; L50-F57 HydrophobicContact CG-CE2 3.94Å; L50-F57 HydrophobicContact CG-CZ 4.05Å; L54-F57 WeakPolarHBondContact O-CD2 3.42Å; L54-F57 PolarHBondContact O-N 2.8Å
58F95.5Very high94.3Very high90 Ų9061.8 Ų61.840%0.39530%0.297SS..G310 helixtrans-96.510.1-179.8-64.4-83.1000114.2T21 P25 R55 R56 G60 L61T21-F58 HydrophobicContact CG2-CE1 4.37Å; P25-F58 HydrophobicContact CG-CD1 4.45Å; P25-F58 HydrophobicContact CG-CE1 3.8Å; P25-F58 HydrophobicContact CG-CE2 4.11Å; P25-F58 HydrophobicContact CG-CZ 3.61Å; R55-F58 PolarHBondContact O-N 3.28Å; R56-F58 PolarHBondContact O-N 2.89Å; R56-F58 VanDerWaalsContact O-N 3.13Å; F58-G60 PolarHBondContact O-N 2.98Å; F58-L61 HydrophobicContact CD1-CD2 3.87Å; F58-L61 WeakPolarHBondContact O-CB 3.43Å; F58-L61 PolarHBondContact O-N 3.46Å
59T94Very high94.3Very high0 Ų061.8 Ų61.80%031%0.308CS..THydrogen-bonded Turntrans-66.3136.3176.4-163.10000110.6H24 T28 R56 L61 Q121 Q122 A125H24-T59 PolarHBondContact CE1-O 3.16Å; H24-T59 PolarHBondContact NE2-O 3.23Å; T28-T59 HydrophobicContact CG2-CG2 4.37Å; R56-T59 WeakPolarHBondContact O-CB 3.17Å; R56-T59 VanDerWaalsContact O-CG2 3.22Å; R56-T59 WeakPolarHBondContact O-CG2 3.37Å; R56-T59 PolarHBondContact O-N 3.21Å; T59-L61 VanDerWaalsContact C-N 3.33Å; T59-L61 PolarHBondContact O-N 2.9Å; T59-Q121 WeakPolarHBondContact CG2-O 3.3Å; T59-Q121 PolarHBondContact OG1-O 3.25Å; T59-Q122 HydrophobicContact CG2-CG 4.33Å; T59-Q122 WeakPolarHBondContact O-CG 3.21Å; T59-A125 HydrophobicContact CG2-CB 3.73Å
60G94.3Very high94.3Very high3 Ų368.1 Ų68.13%0.03134%0.336CS..THydrogen-bonded Turntrans81.3-1.9-175.700000115.9F58 P64F58-G60 PolarHBondContact O-N 2.98Å; G60-P64 WeakPolarHBondContact O-CD 3.36Å
61L96.1Very high94.3Very high22 Ų2265.7 Ų65.712%0.11532%0.323CS..  trans-68-36.9178.8175.258.8000113.1L20 T21 H24 F58 T59 I63 P64 F65L20-L61 HydrophobicContact CD2-CD1 4.3Å; L20-L61 HydrophobicContact CG-CD1 3.98Å; T21-L61 HydrophobicContact CG2-CD2 4.03Å; H24-L61 HydrophobicContact CB-CD1 4.05Å; H24-L61 WeakPolarHBondContact CE1-CA 3.42Å; H24-L61 PolarHBondContact CE1-N 3.47Å; H24-L61 VanDerWaalsContact CE1-N 3.26Å; H24-L61 PolarHBondContact NE2-N 3.02Å; F58-L61 HydrophobicContact CD1-CD2 3.87Å; F58-L61 WeakPolarHBondContact O-CB 3.43Å; F58-L61 PolarHBondContact O-N 3.46Å; T59-L61 VanDerWaalsContact C-N 3.33Å; T59-L61 PolarHBondContact O-N 2.9Å; L61-I63 VanDerWaalsContact C-N 3.32Å; L61-I63 PolarHBondContact O-N 3.16Å; L61-P64 VanDerWaalsContact O-CD 3.3Å; L61-P64 WeakPolarHBondContact O-CD 3.06Å; L61-F65 HydrophobicContact CD1-CB 4.33Å; L61-F65 HydrophobicContact CG-CB 4.41Å; L61-F65 VanDerWaalsContact O-CB 3.29Å; L61-F65 WeakPolarHBondContact O-CB 3.15Å; L61-F65 PolarHBondContact O-N 2.79Å
62A95Very high94.3Very high52 Ų5261 Ų6143%0.4330%0.303SS..Hα-helixtrans-57-42.3-169.800000113.1F65 Y66A62-F65 PolarHBondContact O-N 3.43Å; A62-Y66 HydrophobicContact CB-CD2 4.36Å; A62-Y66 HydrophobicContact CB-CE2 4.37Å; A62-Y66 WeakPolarHBondContact O-CD2 3.47Å; A62-Y66 PolarHBondContact O-N 3.33Å
63I94.9Very high94.4Very high47 Ų4762.1 Ų62.124%0.24131%0.314CS..Hα-helixtrans-68.4-52.8-176.4-55.1-60.4000111.3L61 F65 Y66 S67 V114 I117 A135L61-I63 VanDerWaalsContact C-N 3.32Å; L61-I63 PolarHBondContact O-N 3.16Å; I63-F65 VanDerWaalsContact C-N 3.3Å; I63-F65 PolarHBondContact O-N 3.34Å; I63-Y66 PolarHBondContact O-N 2.88Å; I63-S67 VanDerWaalsContact O-CB 3.27Å; I63-S67 WeakPolarHBondContact O-CB 3.33Å; I63-S67 PolarHBondContact O-N 3.49Å; I63-S67 PolarHBondContact O-OG 3.47Å; I63-V114 HydrophobicContact CG2-CB 4.18Å; I63-V114 HydrophobicContact CG2-CG1 4Å; I63-V114 HydrophobicContact CG2-CG2 3.88Å; I63-I117 HydrophobicContact CG1-CG2 4.1Å; I63-A135 HydrophobicContact CD1-CB 3.63Å; I63-A135 HydrophobicContact CG1-CB 3.85Å
64P95.7Very high94.6Very high14 Ų1462.3 Ų62.39%0.09131%0.31CS..Hα-helixtrans-53.6-42.8170-27.433.5000113.8L20 G60 L61 S67 Y68 V114 K118L20-P64 HydrophobicContact CD1-CB 4.2Å; L20-P64 HydrophobicContact CD2-CB 4.02Å; G60-P64 WeakPolarHBondContact O-CD 3.36Å; L61-P64 VanDerWaalsContact O-CD 3.3Å; L61-P64 WeakPolarHBondContact O-CD 3.06Å; P64-S67 WeakPolarHBondContact CA-OG 3.36Å; P64-S67 PolarHBondContact O-N 3.03Å; P64-S67 PolarHBondContact O-OG 2.87Å; P64-Y68 WeakPolarHBondContact O-CB 3.4Å; P64-Y68 PolarHBondContact O-N 2.92Å; P64-V114 HydrophobicContact CB-CG1 4.43Å; P64-V114 HydrophobicContact CG-CG1 4.09Å; P64-K118 HydrophobicContact CG-CB 4.11Å; P64-K118 HydrophobicContact CG-CD 3.75Å; P64-K118 HydrophobicContact CG-CG 4Å
65F96.5Very high94.6Very high72 Ų7257.9 Ų57.932%0.31629%0.287SS..Hα-helixtrans-61.8-51.4-178.3-174-85.3000111.9L17 L20 L61 A62 I63 Y68L17-F65 HydrophobicContact CB-CE2 4.18Å; L17-F65 HydrophobicContact CD1-CZ 4.4Å; L17-F65 HydrophobicContact CD2-CD2 3.82Å; L17-F65 HydrophobicContact CD2-CE2 3.89Å; L17-F65 HydrophobicContact CD2-CG 4.21Å; L17-F65 HydrophobicContact CD2-CZ 4.33Å; L17-F65 HydrophobicContact CG-CE2 4.44Å; L20-F65 HydrophobicContact CD2-CB 4.39Å; L61-F65 HydrophobicContact CD1-CB 4.33Å; L61-F65 HydrophobicContact CG-CB 4.41Å; L61-F65 VanDerWaalsContact O-CB 3.29Å; L61-F65 WeakPolarHBondContact O-CB 3.15Å; L61-F65 PolarHBondContact O-N 2.79Å; A62-F65 PolarHBondContact O-N 3.43Å; I63-F65 VanDerWaalsContact C-N 3.3Å; I63-F65 PolarHBondContact O-N 3.34Å; F65-Y68 WeakPolarHBondContact O-CB 3.3Å; F65-Y68 PolarHBondContact O-N 3.44Å
66Y95.9Very high94.6Very high192 Ų19253.2 Ų53.275%0.75327%0.273SS*.Hα-helixtrans-76.5-23.3-178.5-70-62.3000113.7A62 I63A62-Y66 HydrophobicContact CB-CD2 4.36Å; A62-Y66 HydrophobicContact CB-CE2 4.37Å; A62-Y66 WeakPolarHBondContact O-CD2 3.47Å; A62-Y66 PolarHBondContact O-N 3.33Å; I63-Y66 PolarHBondContact O-N 2.88Å
67S95.4Very high94.7Very high18 Ų1855.2 Ų55.213%0.12629%0.29CS..Hα-helixtrans-86.9-11.1175.360.50000113.6I63 P64 G69 F70 I71I63-S67 VanDerWaalsContact O-CB 3.27Å; I63-S67 WeakPolarHBondContact O-CB 3.33Å; I63-S67 PolarHBondContact O-N 3.49Å; I63-S67 PolarHBondContact O-OG 3.47Å; P64-S67 WeakPolarHBondContact CA-OG 3.36Å; P64-S67 PolarHBondContact O-N 3.03Å; P64-S67 PolarHBondContact O-OG 2.87Å; S67-G69 PolarHBondContact O-N 3.47Å; S67-F70 PolarHBondContact O-N 2.94Å; S67-F70 VanDerWaalsContact O-N 3.16Å; S67-I71 WeakPolarHBondContact O-CG1 3.17Å; S67-I71 PolarHBondContact O-N 3.48Å
68Y94.5Very high94.6Very high59 Ų5954.8 Ų54.823%0.23129%0.29CS..Hα-helixtrans-53.3-51.3-174.5-179-98.7000112.5L17 P64 F65 F70 I71 N72L17-Y68 HydrophobicContact CD2-CD1 3.69Å; L17-Y68 HydrophobicContact CD2-CD2 4.49Å; L17-Y68 HydrophobicContact CD2-CE1 4.5Å; L17-Y68 HydrophobicContact CD2-CG 3.7Å; L17-Y68 HydrophobicContact CG-CD1 3.77Å; L17-Y68 HydrophobicContact CG-CE1 4.18Å; L17-Y68 HydrophobicContact CG-CG 4.26Å; P64-Y68 WeakPolarHBondContact O-CB 3.4Å; P64-Y68 PolarHBondContact O-N 2.92Å; F65-Y68 WeakPolarHBondContact O-CB 3.3Å; F65-Y68 PolarHBondContact O-N 3.44Å; Y68-F70 PolarHBondContact O-N 3.36Å; Y68-I71 PolarHBondContact O-N 2.87Å; Y68-N72 WeakPolarHBondContact CD1-ND2 3.36Å; Y68-N72 WeakPolarHBondContact CD2-ND2 3.05Å; Y68-N72 VanDerWaalsContact CE1-ND2 3.26Å; Y68-N72 WeakPolarHBondContact CE1-ND2 3.42Å; Y68-N72 WeakPolarHBondContact CE2-ND2 3.3Å; Y68-N72 WeakPolarHBondContact O-CB 3.17Å; Y68-N72 PolarHBondContact O-N 3.33Å; Y68-N72 PolarHBondContact O-ND2 3.32Å
69G93.6Very high94.5Very high49 Ų4954.2 Ų54.251%0.50529%0.286SS..Hα-helixtrans-61.6-42.7-179.600000112.6S67 A73S67-G69 PolarHBondContact O-N 3.47Å; G69-A73 WeakPolarHBondContact O-CB 3.36Å; G69-A73 PolarHBondContact O-N 3.45Å
70F95.3Very high94.4Very high133 Ų13361.4 Ų61.458%0.58332%0.317SS*.Hα-helixtrans-66.1-47.2179.1176.5-111000112.3S67 Y68 N72 A73 V74 P110S67-F70 PolarHBondContact O-N 2.94Å; S67-F70 VanDerWaalsContact O-N 3.16Å; Y68-F70 PolarHBondContact O-N 3.36Å; F70-N72 PolarHBondContact O-N 2.95Å; F70-A73 PolarHBondContact O-N 2.74Å; F70-V74 HydrophobicContact CD2-CG2 4.47Å; F70-V74 HydrophobicContact CE1-CG2 4.25Å; F70-V74 HydrophobicContact CE2-CG2 4.05Å; F70-V74 HydrophobicContact CZ-CG2 3.93Å; F70-V74 WeakPolarHBondContact O-CG2 3.36Å; F70-V74 PolarHBondContact O-N 2.7Å; F70-P110 HydrophobicContact CD1-CB 4.19Å; F70-P110 HydrophobicContact CE1-CB 3.77Å; F70-P110 HydrophobicContact CE1-CG 4.4Å
71I94.5Very high94.3Very high24 Ų2466.5 Ų66.512%0.12334%0.34CS..Hα-helixtrans-61.3-45.7178.9-69.6172000110.4S67 Y68 A73 V74 I75 P110 A111 V114S67-I71 WeakPolarHBondContact O-CG1 3.17Å; S67-I71 PolarHBondContact O-N 3.48Å; Y68-I71 PolarHBondContact O-N 2.87Å; I71-A73 VanDerWaalsContact C-N 3.34Å; I71-A73 PolarHBondContact O-N 3.11Å; I71-V74 PolarHBondContact O-N 3.21Å; I71-I75 HydrophobicContact CG2-CD1 3.78Å; I71-I75 HydrophobicContact CG2-CG1 4.47Å; I71-I75 VanDerWaalsContact O-CG1 3.31Å; I71-I75 WeakPolarHBondContact O-CG1 3.47Å; I71-I75 PolarHBondContact O-N 2.96Å; I71-P110 HydrophobicContact CG1-CB 4.06Å; I71-P110 HydrophobicContact CG1-CG 4.18Å; I71-A111 HydrophobicContact CD1-CB 4.44Å; I71-V114 HydrophobicContact CD1-CB 4.42Å; I71-V114 HydrophobicContact CD1-CG1 4.4Å; I71-V114 HydrophobicContact CD1-CG2 4.21Å
72N93Very high94.1Very high37 Ų3766 Ų6620%0.19834%0.339CS..Hα-helixtrans-62.3-41.5176.7-76.3-65.6000111.9Y68 F70 V74 I75 F76Y68-N72 WeakPolarHBondContact CD1-ND2 3.36Å; Y68-N72 WeakPolarHBondContact CD2-ND2 3.05Å; Y68-N72 VanDerWaalsContact CE1-ND2 3.26Å; Y68-N72 WeakPolarHBondContact CE1-ND2 3.42Å; Y68-N72 WeakPolarHBondContact CE2-ND2 3.3Å; Y68-N72 WeakPolarHBondContact O-CB 3.17Å; Y68-N72 PolarHBondContact O-N 3.33Å; Y68-N72 PolarHBondContact O-ND2 3.32Å; F70-N72 PolarHBondContact O-N 2.95Å; N72-V74 VanDerWaalsContact C-N 3.31Å; N72-V74 PolarHBondContact O-N 3.43Å; N72-I75 PolarHBondContact O-N 3.34Å; N72-F76 HydrophobicContact CB-CD2 4.27Å; N72-F76 HydrophobicContact CB-CE2 4.11Å; N72-F76 WeakPolarHBondContact O-CD2 3.45Å; N72-F76 PolarHBondContact O-N 3.23Å
73A93.7Very high93.9Very high51 Ų5164.8 Ų64.842%0.42133%0.325SS..Hα-helixtrans-59.6-42175.700000112.2G69 F70 I71 T77G69-A73 WeakPolarHBondContact O-CB 3.36Å; G69-A73 PolarHBondContact O-N 3.45Å; F70-A73 PolarHBondContact O-N 2.74Å; I71-A73 VanDerWaalsContact C-N 3.34Å; I71-A73 PolarHBondContact O-N 3.11Å; A73-T77 VanDerWaalsContact O-CB 3.27Å; A73-T77 WeakPolarHBondContact O-CB 3.27Å; A73-T77 PolarHBondContact O-N 3.47Å; A73-T77 PolarHBondContact O-OG1 3.05Å
74V94.9Very high93.8Very high32 Ų3265.6 Ų65.619%0.19433%0.334CS..Hα-helixtrans-62.1-46.3175.2170.70000111.1F70 I71 N72 T77 A78 V106 P110F70-V74 HydrophobicContact CD2-CG2 4.47Å; F70-V74 HydrophobicContact CE1-CG2 4.25Å; F70-V74 HydrophobicContact CE2-CG2 4.05Å; F70-V74 HydrophobicContact CZ-CG2 3.93Å; F70-V74 WeakPolarHBondContact O-CG2 3.36Å; F70-V74 PolarHBondContact O-N 2.7Å; I71-V74 PolarHBondContact O-N 3.21Å; N72-V74 VanDerWaalsContact C-N 3.31Å; N72-V74 PolarHBondContact O-N 3.43Å; V74-T77 PolarHBondContact O-N 3.14Å; V74-A78 VanDerWaalsContact O-CB 3.24Å; V74-A78 WeakPolarHBondContact O-CB 3.39Å; V74-A78 PolarHBondContact O-N 2.93Å; V74-V106 HydrophobicContact CG1-CG1 3.78Å; V74-P110 HydrophobicContact CG1-CG 4.38Å
75I93.1Very high93.7Very high33 Ų3371.2 Ų71.217%0.16936%0.362CS..Hα-helixtrans-58.4-53.3177.9-67.6161.1000110.7I71 N72 T77 A78 Y79 Q107I71-I75 HydrophobicContact CG2-CD1 3.78Å; I71-I75 HydrophobicContact CG2-CG1 4.47Å; I71-I75 VanDerWaalsContact O-CG1 3.31Å; I71-I75 WeakPolarHBondContact O-CG1 3.47Å; I71-I75 PolarHBondContact O-N 2.96Å; N72-I75 PolarHBondContact O-N 3.34Å; I75-T77 PolarHBondContact O-N 3.22Å; I75-A78 PolarHBondContact O-N 3.05Å; I75-Y79 WeakPolarHBondContact O-CB 3.38Å; I75-Y79 PolarHBondContact O-N 2.97Å; I75-Q107 HydrophobicContact CD1-CB 4.17Å; I75-Q107 HydrophobicContact CG1-CB 3.55Å; I75-Q107 HydrophobicContact CG1-CG 4.35Å; I75-Q107 VanDerWaalsContact CG1-OE1 3.31Å
76F92.1Very high93.2Very high127 Ų12772.1 Ų72.156%0.55737%0.366SS*.Hα-helixtrans-65.1-39-177-73.4-60.7000112.5N72 K80N72-F76 HydrophobicContact CB-CD2 4.27Å; N72-F76 HydrophobicContact CB-CE2 4.11Å; N72-F76 WeakPolarHBondContact O-CD2 3.45Å; N72-F76 PolarHBondContact O-N 3.23Å; F76-K80 WeakPolarHBondContact O-CB 3.27Å; F76-K80 PolarHBondContact O-N 3.22Å
77T94.9Very high92.8Very high83 Ų8364.4 Ų64.451%0.50934%0.338SS..Hα-helixtrans-64.6-50.4176.2-55.80000110.3A73 V74 I75 Y79 K80 E81A73-T77 VanDerWaalsContact O-CB 3.27Å; A73-T77 WeakPolarHBondContact O-CB 3.27Å; A73-T77 PolarHBondContact O-N 3.47Å; A73-T77 PolarHBondContact O-OG1 3.05Å; V74-T77 PolarHBondContact O-N 3.14Å; I75-T77 PolarHBondContact O-N 3.22Å; T77-Y79 VanDerWaalsContact C-N 3.3Å; T77-Y79 PolarHBondContact O-N 2.9Å; T77-K80 PolarHBondContact O-N 3.23Å; T77-E81 HydrophobicContact CG2-CG 4.27Å; T77-E81 WeakPolarHBondContact O-CB 3.11Å; T77-E81 WeakPolarHBondContact O-CG 3.09Å; T77-E81 PolarHBondContact O-N 3.44Å
78A94.1Very high92.2Very high12 Ų1267.8 Ų67.810%0.09937%0.367CS..Hα-helixtrans-60.2-40.617900000112V74 I75 S82 V106V74-A78 VanDerWaalsContact O-CB 3.24Å; V74-A78 WeakPolarHBondContact O-CB 3.39Å; V74-A78 PolarHBondContact O-N 2.93Å; I75-A78 PolarHBondContact O-N 3.05Å; A78-S82 WeakPolarHBondContact O-CB 3.29Å; A78-S82 PolarHBondContact O-N 2.96Å; A78-S82 PolarHBondContact O-OG 2.97Å; A78-V106 HydrophobicContact CB-CB 3.95Å; A78-V106 HydrophobicContact CB-CG1 3.92Å; A78-V106 HydrophobicContact CB-CG2 4.25Å
79Y92.3Very high91.7Very high79 Ų7969.4 Ų69.431%0.3138%0.383SS..Hα-helixtrans-61.4-51175.6-176.7-92.4000111.7I75 T77 S82 L83 N96 A99I75-Y79 WeakPolarHBondContact O-CB 3.38Å; I75-Y79 PolarHBondContact O-N 2.97Å; T77-Y79 VanDerWaalsContact C-N 3.3Å; T77-Y79 PolarHBondContact O-N 2.9Å; Y79-S82 PolarHBondContact O-N 3.49Å; Y79-L83 HydrophobicContact CE1-CD2 3.79Å; Y79-L83 VanDerWaalsContact O-CB 3.27Å; Y79-L83 WeakPolarHBondContact O-CB 3.42Å; Y79-L83 PolarHBondContact O-N 3.45Å; Y79-N96 PolarHBondContact OH-OD1 3.3Å; Y79-A99 HydrophobicContact CD2-CB 4.09Å; Y79-A99 HydrophobicContact CE2-CB 4.04Å
80K91.7Very high91.1Very high151 Ų15168.3 Ų68.366%0.65737%0.372SS*.Hα-helixtrans-63.8-46.1-176.8-174-178.8176.9-1720112.2F76 T77 L83 S84F76-K80 WeakPolarHBondContact O-CB 3.27Å; F76-K80 PolarHBondContact O-N 3.22Å; T77-K80 PolarHBondContact O-N 3.23Å; K80-L83 PolarHBondContact O-N 2.67Å; K80-S84 WeakPolarHBondContact O-CB 3.29Å; K80-S84 PolarHBondContact O-N 3.47Å
81E93.9Very high90.6Very high110 Ų11069.7 Ų69.751%0.51438%0.38SS..Hα-helixtrans-62.7-46.8177.5-67.6-60140.800110.8T77 L83 S84 I85T77-E81 HydrophobicContact CG2-CG 4.27Å; T77-E81 WeakPolarHBondContact O-CB 3.11Å; T77-E81 WeakPolarHBondContact O-CG 3.09Å; T77-E81 PolarHBondContact O-N 3.44Å; E81-L83 PolarHBondContact O-N 3.24Å; E81-S84 PolarHBondContact O-N 2.65Å; E81-S84 PolarHBondContact O-OG 3.36Å; E81-I85 WeakPolarHBondContact O-CG1 3.39Å; E81-I85 PolarHBondContact O-N 3.33Å
82S92.1Very high90.1Very high12 Ų1270.6 Ų70.68%0.08439%0.388CS..Hα-helixtrans-63.5-41.9178.7-55.40000112.2A78 Y79 S84 I85 F86 V102A78-S82 WeakPolarHBondContact O-CB 3.29Å; A78-S82 PolarHBondContact O-N 2.96Å; A78-S82 PolarHBondContact O-OG 2.97Å; Y79-S82 PolarHBondContact O-N 3.49Å; S82-S84 VanDerWaalsContact C-N 3.33Å; S82-S84 PolarHBondContact O-N 2.98Å; S82-I85 PolarHBondContact O-N 3.41Å; S82-F86 WeakPolarHBondContact O-CD2 3.32Å; S82-F86 PolarHBondContact O-N 3Å; S82-V102 WeakPolarHBondContact OG-CB 3.1Å; S82-V102 WeakPolarHBondContact OG-CG1 3.28Å
83L90.7Very high89.7Confident26 Ų2674 Ų7414%0.13641%0.412CS..Hα-helixtrans-64.5-39.8177.4-17360.9000111Y79 K80 E81 I85 F86 D87 A95 A99Y79-L83 HydrophobicContact CE1-CD2 3.79Å; Y79-L83 VanDerWaalsContact O-CB 3.27Å; Y79-L83 WeakPolarHBondContact O-CB 3.42Å; Y79-L83 PolarHBondContact O-N 3.45Å; K80-L83 PolarHBondContact O-N 2.67Å; E81-L83 PolarHBondContact O-N 3.24Å; L83-I85 PolarHBondContact O-N 2.95Å; L83-F86 PolarHBondContact O-N 2.79Å; L83-D87 CarbonylContact O-C 3.03Å; L83-D87 WeakPolarHBondContact O-CA 3.33Å; L83-D87 PolarHBondContact O-N 2.89Å; L83-A95 HydrophobicContact CD1-CB 4.2Å; L83-A99 HydrophobicContact CB-CB 3.89Å; L83-A99 HydrophobicContact CD1-CB 4.29Å
84S92.1Very high89.4Confident63 Ų6377.2 Ų77.244%0.44142%0.422SS..Hα-helixtrans-61.8-29.1176.877.90000113.5K80 E81 S82K80-S84 WeakPolarHBondContact O-CB 3.29Å; K80-S84 PolarHBondContact O-N 3.47Å; E81-S84 PolarHBondContact O-N 2.65Å; E81-S84 PolarHBondContact O-OG 3.36Å; S82-S84 VanDerWaalsContact C-N 3.33Å; S82-S84 PolarHBondContact O-N 2.98Å
85I92.6Very high89Confident133 Ų13375.9 Ų75.968%0.68241%0.414SS*.Hα-helixtrans-78.9-43.5176.6-64.9165.3000111.2E81 S82 L83E81-I85 WeakPolarHBondContact O-CG1 3.39Å; E81-I85 PolarHBondContact O-N 3.33Å; S82-I85 PolarHBondContact O-N 3.41Å; L83-I85 PolarHBondContact O-N 2.95Å
86F87.5Confident88.7Confident90 Ų9076.3 Ų76.340%0.39542%0.417SS..Hα-helixtrans-82.7-40.8-175.4-66-53.1000113.8S82 L83 A95 M98 V102S82-F86 WeakPolarHBondContact O-CD2 3.32Å; S82-F86 PolarHBondContact O-N 3Å; L83-F86 PolarHBondContact O-N 2.79Å; F86-A95 HydrophobicContact CB-CB 3.75Å; F86-M98 HydrophobicContact CD1-CE 3.95Å; F86-M98 HydrophobicContact CD1-SD 4.43Å; F86-M98 HydrophobicContact CD2-CB 3.85Å; F86-M98 HydrophobicContact CE1-CE 3.44Å; F86-M98 VanDerWaalsContact CE1-CE 3.44Å; F86-M98 HydrophobicContact CE1-SD 4.46Å; F86-M98 HydrophobicContact CE2-CB 3.8Å; F86-M98 HydrophobicContact CE2-CE 4.33Å; F86-M98 HydrophobicContact CG-CB 4.38Å; F86-M98 HydrophobicContact CZ-CB 4.29Å; F86-M98 HydrophobicContact CZ-CE 3.66Å; F86-V102 HydrophobicContact CE2-CG2 4.14Å; F86-V102 HydrophobicContact CZ-CG2 4.48Å
87D86.1Confident88.5Confident31 Ų3173.2 Ų73.217%0.16642%0.415CS..  trans-165.198.5177.7176.816.6000110.4L83 T89 G90 Q91 S92 A95L83-D87 CarbonylContact O-C 3.03Å; L83-D87 WeakPolarHBondContact O-CA 3.33Å; L83-D87 PolarHBondContact O-N 2.89Å; D87-T89 PolarHBondContact O-N 3.41Å; D87-T89 VanDerWaalsContact O-N 3.09Å; D87-T89 VanDerWaalsContact OD1-CB 3.32Å; D87-T89 WeakPolarHBondContact OD1-CB 3.43Å; D87-T89 PolarHBondContact OD1-N 3.44Å; D87-T89 PolarHBondContact OD1-OG1 3.48Å; D87-T89 PolarHBondContact OD2-OG1 2.89Å; D87-G90 PolarHBondContact O-N 3.36Å; D87-Q91 PolarHBondContact OD2-N 3.32Å; D87-S92 WeakPolarHBondContact OD2-CB 3.38Å; D87-S92 PolarHBondContact OD2-N 2.93Å; D87-A95 HydrophobicContact CB-CB 3.35Å
88A84Confident88.2Confident89 Ų8973.1 Ų73.174%0.73641%0.41SS*.THydrogen-bonded Turntrans-62.1-16.9177.700000113.8G90A88-G90 VanDerWaalsContact C-N 3.32Å
89T84.5Confident88Confident93 Ų9372.6 Ų72.657%0.57141%0.405SS*.THydrogen-bonded Turntrans-76.4-22.2175.375.50000112.5D87 Q91D87-T89 PolarHBondContact O-N 3.41Å; D87-T89 VanDerWaalsContact O-N 3.09Å; D87-T89 VanDerWaalsContact OD1-CB 3.32Å; D87-T89 WeakPolarHBondContact OD1-CB 3.43Å; D87-T89 PolarHBondContact OD1-N 3.44Å; D87-T89 PolarHBondContact OD1-OG1 3.48Å; D87-T89 PolarHBondContact OD2-OG1 2.89Å; T89-Q91 PolarHBondContact O-N 3.02Å; T89-Q91 PolarHBondContact OG1-N 2.77Å
90G80.1Confident87.8Confident25 Ų2570.1 Ų70.126%0.25840%0.404SS..SBendtrans6710.3-176.300000114.5D87 A88 N96D87-G90 PolarHBondContact O-N 3.36Å; A88-G90 VanDerWaalsContact C-N 3.32Å; G90-N96 PolarHBondContact O-ND2 3.41Å
91Q84Confident87.7Confident162 Ų16266.1 Ų66.176%0.75740%0.399SS*.  trans-89.5-27-175.6-63.7-175.60.400112.4D87 T89 P93D87-Q91 PolarHBondContact OD2-N 3.32Å; T89-Q91 PolarHBondContact O-N 3.02Å; T89-Q91 PolarHBondContact OG1-N 2.77Å; Q91-P93 VanDerWaalsContact O-CD 3.23Å; Q91-P93 WeakPolarHBondContact O-CD 3.5Å
92S85.1Confident87.5Confident43 Ų4363.5 Ų63.530%0.30139%0.39SS..  trans-68.9117.3-179.4174.20000111.4D87 L94 A95 N96D87-S92 WeakPolarHBondContact OD2-CB 3.38Å; D87-S92 PolarHBondContact OD2-N 2.93Å; S92-L94 PolarHBondContact O-N 2.98Å; S92-A95 PolarHBondContact O-N 3.42Å; S92-A95 PolarHBondContact OG-N 2.96Å; S92-N96 PolarHBondContact O-N 3.36Å; S92-N96 PolarHBondContact O-ND2 3.5Å
93P84.7Confident87.5Confident108 Ų10863.5 Ų63.570%0.70139%0.39SS*.Hα-helixtrans-60.1-35.2176.4-24.435.5000112.4Q91 A97Q91-P93 VanDerWaalsContact O-CD 3.23Å; Q91-P93 WeakPolarHBondContact O-CD 3.5Å; P93-A97 WeakPolarHBondContact O-CB 3.43Å; P93-A97 PolarHBondContact O-N 2.99Å
94L86.9Confident87.4Confident120 Ų12063.5 Ų63.563%0.62840%0.397SS*.Hα-helixtrans-68.5-43.5178.2-179.361.4000111.3S92 N96 A97 M98S92-L94 PolarHBondContact O-N 2.98Å; L94-N96 VanDerWaalsContact C-N 3.35Å; L94-N96 PolarHBondContact O-N 3.45Å; L94-A97 PolarHBondContact O-N 3.05Å; L94-M98 HydrophobicContact CD1-CG 4.33Å; L94-M98 HydrophobicContact CD1-SD 4.42Å; L94-M98 HydrophobicContact CG-SD 4.19Å; L94-M98 WeakPolarHBondContact O-CG 3.47Å; L94-M98 PolarHBondContact O-N 3.45Å
95A87.4Confident87.4Confident4 Ų463.3 Ų63.33%0.03340%0.399CS..Hα-helixtrans-63.4-41.8177.100000111.7L83 F86 D87 S92 M98 A99L83-A95 HydrophobicContact CD1-CB 4.2Å; F86-A95 HydrophobicContact CB-CB 3.75Å; D87-A95 HydrophobicContact CB-CB 3.35Å; S92-A95 PolarHBondContact O-N 3.42Å; S92-A95 PolarHBondContact OG-N 2.96Å; A95-M98 PolarHBondContact O-N 3.49Å; A95-A99 VanDerWaalsContact O-CB 3.3Å; A95-A99 WeakPolarHBondContact O-CB 3.49Å; A95-A99 PolarHBondContact O-N 3.28Å
96N86.7Confident87.4Confident42 Ų4259.8 Ų59.823%0.22538%0.384CS..Hα-helixtrans-61.9-41.8173.6-73.5-63000111.9Y79 G90 S92 L94 G100Y79-N96 PolarHBondContact OH-OD1 3.3Å; G90-N96 PolarHBondContact O-ND2 3.41Å; S92-N96 PolarHBondContact O-N 3.36Å; S92-N96 PolarHBondContact O-ND2 3.5Å; L94-N96 VanDerWaalsContact C-N 3.35Å; L94-N96 PolarHBondContact O-N 3.45Å; N96-G100 PolarHBondContact O-N 3.06Å
97A86.6Confident87.6Confident62 Ų6257.4 Ų57.451%0.51237%0.373SS..Hα-helixtrans-64.1-42.517600000112.1P93 L94 G100 A101P93-A97 WeakPolarHBondContact O-CB 3.43Å; P93-A97 PolarHBondContact O-N 2.99Å; L94-A97 PolarHBondContact O-N 3.05Å; A97-G100 PolarHBondContact O-N 3.41Å; A97-A101 PolarHBondContact O-N 3.25Å
98M88.8Confident87.9Confident81 Ų8156.8 Ų56.840%0.39937%0.37SS..Hα-helixtrans-66.8-45.4176.6-70.9179.671.900112.1F86 L94 A95 G100 A101 V102F86-M98 HydrophobicContact CD1-CE 3.95Å; F86-M98 HydrophobicContact CD1-SD 4.43Å; F86-M98 HydrophobicContact CD2-CB 3.85Å; F86-M98 HydrophobicContact CE1-CE 3.44Å; F86-M98 VanDerWaalsContact CE1-CE 3.44Å; F86-M98 HydrophobicContact CE1-SD 4.46Å; F86-M98 HydrophobicContact CE2-CB 3.8Å; F86-M98 HydrophobicContact CE2-CE 4.33Å; F86-M98 HydrophobicContact CG-CB 4.38Å; F86-M98 HydrophobicContact CZ-CB 4.29Å; F86-M98 HydrophobicContact CZ-CE 3.66Å; L94-M98 HydrophobicContact CD1-CG 4.33Å; L94-M98 HydrophobicContact CD1-SD 4.42Å; L94-M98 HydrophobicContact CG-SD 4.19Å; L94-M98 WeakPolarHBondContact O-CG 3.47Å; L94-M98 PolarHBondContact O-N 3.45Å; A95-M98 PolarHBondContact O-N 3.49Å; M98-G100 VanDerWaalsContact C-N 3.28Å; M98-G100 PolarHBondContact O-N 3.32Å; M98-A101 PolarHBondContact O-N 2.95Å; M98-A101 VanDerWaalsContact O-N 3.15Å; M98-V102 WeakPolarHBondContact O-CG2 3.26Å; M98-V102 PolarHBondContact O-N 3.37Å
99A89.8Confident88.3Confident0 Ų056.9 Ų56.90%036%0.361CS..Hα-helixtrans-60.7-39.7174.600000111.5Y79 L83 A95 V102 S103Y79-A99 HydrophobicContact CD2-CB 4.09Å; Y79-A99 HydrophobicContact CE2-CB 4.04Å; L83-A99 HydrophobicContact CB-CB 3.89Å; L83-A99 HydrophobicContact CD1-CB 4.29Å; A95-A99 VanDerWaalsContact O-CB 3.3Å; A95-A99 WeakPolarHBondContact O-CB 3.49Å; A95-A99 PolarHBondContact O-N 3.28Å; A99-V102 PolarHBondContact O-N 2.97Å; A99-S103 WeakPolarHBondContact O-CB 3.23Å; A99-S103 PolarHBondContact O-N 3Å; A99-S103 PolarHBondContact O-OG 2.92Å
100G89Confident88.8Confident28 Ų2853.5 Ų53.529%0.28934%0.341SS..Hα-helixtrans-57.3-50.3170.400000112.3N96 A97 M98 V102 S103 G104N96-G100 PolarHBondContact O-N 3.06Å; A97-G100 PolarHBondContact O-N 3.41Å; M98-G100 VanDerWaalsContact C-N 3.28Å; M98-G100 PolarHBondContact O-N 3.32Å; G100-V102 PolarHBondContact O-N 2.85Å; G100-S103 PolarHBondContact O-N 2.98Å; G100-S103 PolarHBondContact O-OG 2.96Å; G100-G104 PolarHBondContact O-N 3.28Å
101A88.4Confident89.4Confident67 Ų6753 Ų5355%0.55433%0.334SS*.Hα-helixtrans-61.9-43178.200000112.8A97 M98 G104 A105A97-A101 PolarHBondContact O-N 3.25Å; M98-A101 PolarHBondContact O-N 2.95Å; M98-A101 VanDerWaalsContact O-N 3.15Å; A101-G104 PolarHBondContact O-N 3.38Å; A101-A105 PolarHBondContact O-N 3.36Å
102V90.6Very high89.9Confident55 Ų5545.3 Ų45.333%0.33330%0.298SS..Hα-helixtrans-64.6-46.7176.81760000110.7S82 F86 M98 A99 G100 G104 A105 V106S82-V102 WeakPolarHBondContact OG-CB 3.1Å; S82-V102 WeakPolarHBondContact OG-CG1 3.28Å; F86-V102 HydrophobicContact CE2-CG2 4.14Å; F86-V102 HydrophobicContact CZ-CG2 4.48Å; M98-V102 WeakPolarHBondContact O-CG2 3.26Å; M98-V102 PolarHBondContact O-N 3.37Å; A99-V102 PolarHBondContact O-N 2.97Å; G100-V102 PolarHBondContact O-N 2.85Å; V102-G104 VanDerWaalsContact C-N 3.27Å; V102-G104 PolarHBondContact O-N 3.39Å; V102-A105 PolarHBondContact O-N 3.22Å; V102-A105 VanDerWaalsContact O-N 3.1Å; V102-V106 HydrophobicContact CG1-CG2 4.22Å; V102-V106 WeakPolarHBondContact O-CG2 3.39Å; V102-V106 PolarHBondContact O-N 3.23Å
103S91.9Very high90.3Very high11 Ų1144.2 Ų44.28%0.07729%0.29CS..Hα-helixtrans-59.8-39.7176.574.40000112A99 G100 A105 V106 Q107A99-S103 WeakPolarHBondContact O-CB 3.23Å; A99-S103 PolarHBondContact O-N 3Å; A99-S103 PolarHBondContact O-OG 2.92Å; G100-S103 PolarHBondContact O-N 2.98Å; G100-S103 PolarHBondContact O-OG 2.96Å; S103-A105 PolarHBondContact O-N 3.48Å; S103-V106 PolarHBondContact O-N 2.91Å; S103-Q107 WeakPolarHBondContact O-CG 3.43Å; S103-Q107 PolarHBondContact O-N 2.68Å
104G89Confident90.8Very high27 Ų2740.1 Ų40.128%0.27826%0.263SS..Hα-helixtrans-61.1-37.317300000113.9G100 A101 V102 Q107 L108G100-G104 PolarHBondContact O-N 3.28Å; A101-G104 PolarHBondContact O-N 3.38Å; V102-G104 VanDerWaalsContact C-N 3.27Å; V102-G104 PolarHBondContact O-N 3.39Å; G104-Q107 WeakPolarHBondContact O-CG 3.41Å; G104-L108 WeakPolarHBondContact O-CG 3.37Å
105A91.1Very high91.1Very high58 Ų5836.1 Ų36.148%0.47924%0.242SC..Hα-helixtrans-73.2-44.9174.500000111.9A101 V102 S103 Q107 L108A101-A105 PolarHBondContact O-N 3.36Å; V102-A105 PolarHBondContact O-N 3.22Å; V102-A105 VanDerWaalsContact O-N 3.1Å; S103-A105 PolarHBondContact O-N 3.48Å; A105-Q107 VanDerWaalsContact C-N 3.34Å; A105-Q107 PolarHBondContact O-N 2.96Å; A105-L108 WeakPolarHBondContact O-CB 3.21Å; A105-L108 PolarHBondContact O-N 2.86Å
106V92.8Very high91.4Very high60 Ų6036 Ų3636%0.36424%0.24SC..Hα-helixtrans-63.9-38.9-178.5173.30000111.4V74 A78 V102 S103 L108 V109V74-V106 HydrophobicContact CG1-CG1 3.78Å; A78-V106 HydrophobicContact CB-CB 3.95Å; A78-V106 HydrophobicContact CB-CG1 3.92Å; A78-V106 HydrophobicContact CB-CG2 4.25Å; V102-V106 HydrophobicContact CG1-CG2 4.22Å; V102-V106 WeakPolarHBondContact O-CG2 3.39Å; V102-V106 PolarHBondContact O-N 3.23Å; S103-V106 PolarHBondContact O-N 2.91Å; V106-L108 PolarHBondContact O-N 3.16Å; V106-L108 VanDerWaalsContact O-N 3.16Å; V106-V109 PolarHBondContact O-N 3.12Å
107Q92.6Very high91.8Very high39 Ų3934.7 Ų34.718%0.18223%0.233CC..THydrogen-bonded Turntrans-63-21.7178.868.2162.435.800113.9I75 S103 G104 A105 V109 P110 A111I75-Q107 HydrophobicContact CD1-CB 4.17Å; I75-Q107 HydrophobicContact CG1-CB 3.55Å; I75-Q107 HydrophobicContact CG1-CG 4.35Å; I75-Q107 VanDerWaalsContact CG1-OE1 3.31Å; S103-Q107 WeakPolarHBondContact O-CG 3.43Å; S103-Q107 PolarHBondContact O-N 2.68Å; G104-Q107 WeakPolarHBondContact O-CG 3.41Å; A105-Q107 VanDerWaalsContact C-N 3.34Å; A105-Q107 PolarHBondContact O-N 2.96Å; Q107-V109 PolarHBondContact O-N 2.97Å; Q107-P110 WeakPolarHBondContact O-CD 3.27Å; Q107-P110 WeakPolarHBondContact O-CG 3.44Å; Q107-A111 WeakPolarHBondContact O-CB 3.45Å; Q107-A111 PolarHBondContact O-N 3.4Å
108L91.6Very high92.2Very high19 Ų1932.9 Ų32.910%0.09921%0.214CC..Hα-helixtrans-62.9-27.3179.8-64172.8000111.4G104 A105 V106 V112 T155 Q158 A159G104-L108 WeakPolarHBondContact O-CG 3.37Å; A105-L108 WeakPolarHBondContact O-CB 3.21Å; A105-L108 PolarHBondContact O-N 2.86Å; V106-L108 PolarHBondContact O-N 3.16Å; V106-L108 VanDerWaalsContact O-N 3.16Å; L108-V112 HydrophobicContact CB-CG2 3.98Å; L108-V112 HydrophobicContact CD2-CG2 4.05Å; L108-V112 WeakPolarHBondContact O-CB 3.48Å; L108-V112 WeakPolarHBondContact O-CG2 3.23Å; L108-V112 PolarHBondContact O-N 3.35Å; L108-T155 HydrophobicContact CB-CG2 4.36Å; L108-T155 HydrophobicContact CD1-CG2 4.1Å; L108-Q158 HydrophobicContact CD2-CB 4.38Å; L108-Q158 HydrophobicContact CD2-CG 3.84Å; L108-A159 HydrophobicContact CD1-CB 4.04Å
109V93.4Very high92.4Very high90 Ų9029.2 Ų29.255%0.54520%0.196SC..Hα-helixtrans-58.7-53.7-179.5176.90000111.7V106 Q107 P113 Y152V106-V109 PolarHBondContact O-N 3.12Å; Q107-V109 PolarHBondContact O-N 2.97Å; V109-P113 VanDerWaalsContact O-CD 3.3Å; V109-P113 WeakPolarHBondContact O-CD 3.19Å; V109-Y152 WeakPolarHBondContact O-CE1 3.41Å; V109-Y152 PolarHBondContact O-OH 3.1Å; V109-Y152 VanDerWaalsContact O-OH 3.14Å
110P94.5Very high92.6Very high23 Ų2330.5 Ų30.515%0.14920%0.2CC..Hα-helixtrans-84-30.9172.931.8-38.3000114.4F70 I71 V74 Q107 V114F70-P110 HydrophobicContact CD1-CB 4.19Å; F70-P110 HydrophobicContact CE1-CB 3.77Å; F70-P110 HydrophobicContact CE1-CG 4.4Å; I71-P110 HydrophobicContact CG1-CB 4.06Å; I71-P110 HydrophobicContact CG1-CG 4.18Å; V74-P110 HydrophobicContact CG1-CG 4.38Å; Q107-P110 WeakPolarHBondContact O-CD 3.27Å; Q107-P110 WeakPolarHBondContact O-CG 3.44Å; P110-V114 WeakPolarHBondContact O-CG2 3.45Å
111A93.1Very high92.8Very high14 Ų1429.6 Ų29.612%0.11619%0.189CC..Hα-helixtrans-73-39-171.800000113.2I71 Q107 V114 E115I71-A111 HydrophobicContact CD1-CB 4.44Å; Q107-A111 WeakPolarHBondContact O-CB 3.45Å; Q107-A111 PolarHBondContact O-N 3.4Å; A111-V114 PolarHBondContact O-N 3.2Å; A111-E115 WeakPolarHBondContact O-CB 3.4Å; A111-E115 PolarHBondContact O-N 3.4Å
112V93.1Very high93.1Very high0 Ų026.5 Ų26.50%016%0.163CC..Hα-helixtrans-64-49.2-175.9178.90000111.6L108 V114 E115 V116 Y152 T155L108-V112 HydrophobicContact CB-CG2 3.98Å; L108-V112 HydrophobicContact CD2-CG2 4.05Å; L108-V112 WeakPolarHBondContact O-CB 3.48Å; L108-V112 WeakPolarHBondContact O-CG2 3.23Å; L108-V112 PolarHBondContact O-N 3.35Å; V112-V114 VanDerWaalsContact C-N 3.31Å; V112-V114 PolarHBondContact O-N 3.46Å; V112-E115 PolarHBondContact O-N 3.25Å; V112-E115 VanDerWaalsContact O-N 3.14Å; V112-V116 HydrophobicContact CG1-CG2 4.11Å; V112-V116 WeakPolarHBondContact O-CG2 3.35Å; V112-V116 PolarHBondContact O-N 3.43Å; V112-Y152 HydrophobicContact CB-CD1 4.23Å; V112-Y152 HydrophobicContact CG1-CD1 4.38Å; V112-T155 HydrophobicContact CG2-CG2 4.23Å
113P93.9Very high93.1Very high20 Ų2024.2 Ų24.213%0.1315%0.149CC..Hα-helixtrans-59.3-41.1177-26.136.1000113.2V109 E115 V116 I117 L151 Y152V109-P113 VanDerWaalsContact O-CD 3.3Å; V109-P113 WeakPolarHBondContact O-CD 3.19Å; P113-E115 VanDerWaalsContact C-N 3.31Å; P113-E115 PolarHBondContact O-N 2.99Å; P113-V116 PolarHBondContact O-N 3.1Å; P113-I117 WeakPolarHBondContact O-CD1 3.33Å; P113-I117 WeakPolarHBondContact O-CG1 3.34Å; P113-I117 PolarHBondContact O-N 2.95Å; P113-L151 WeakPolarHBondContact CA-O 3.5Å; P113-L151 HydrophobicContact CB-CB 4.28Å; P113-L151 HydrophobicContact CG-CB 4.4Å; P113-Y152 HydrophobicContact CG-CD1 4.35Å; P113-Y152 HydrophobicContact CG-CE1 3.76Å; P113-Y152 HydrophobicContact CG-CE2 4.2Å
114V95.2Very high93Very high23 Ų2326.1 Ų26.114%0.13916%0.157CC..Hα-helixtrans-59-45.5175.9163.20000110.6I63 P64 I71 P110 A111 V112 K118I63-V114 HydrophobicContact CG2-CB 4.18Å; I63-V114 HydrophobicContact CG2-CG1 4Å; I63-V114 HydrophobicContact CG2-CG2 3.88Å; P64-V114 HydrophobicContact CB-CG1 4.43Å; P64-V114 HydrophobicContact CG-CG1 4.09Å; I71-V114 HydrophobicContact CD1-CB 4.42Å; I71-V114 HydrophobicContact CD1-CG1 4.4Å; I71-V114 HydrophobicContact CD1-CG2 4.21Å; P110-V114 WeakPolarHBondContact O-CG2 3.45Å; A111-V114 PolarHBondContact O-N 3.2Å; V112-V114 VanDerWaalsContact C-N 3.31Å; V112-V114 PolarHBondContact O-N 3.46Å; V114-K118 VanDerWaalsContact O-CB 3.32Å; V114-K118 WeakPolarHBondContact O-CB 3.19Å; V114-K118 PolarHBondContact O-N 2.87Å
115E93.6Very high93.1Very high36 Ų3624.8 Ų24.817%0.16814%0.144CC..Hα-helixtrans-70.4-42-179.1-169.2162.9-150.700112.7A111 V112 P113 I117 K118 I119 Q158 K213A111-E115 WeakPolarHBondContact O-CB 3.4Å; A111-E115 PolarHBondContact O-N 3.4Å; V112-E115 PolarHBondContact O-N 3.25Å; V112-E115 VanDerWaalsContact O-N 3.14Å; P113-E115 VanDerWaalsContact C-N 3.31Å; P113-E115 PolarHBondContact O-N 2.99Å; E115-I117 VanDerWaalsContact C-N 3.32Å; E115-I117 PolarHBondContact O-N 3.11Å; E115-K118 WeakPolarHBondContact O-CB 3.35Å; E115-K118 PolarHBondContact O-N 2.94Å; E115-I119 HydrophobicContact CG-CD1 4.09Å; E115-I119 HydrophobicContact CG-CG1 4.28Å; E115-I119 WeakPolarHBondContact O-CG1 3.32Å; E115-I119 PolarHBondContact O-N 3.45Å; E115-Q158 VanDerWaalsContact OE2-CD 3.25Å; E115-Q158 PolarHBondContact OE2-NE2 3.08Å; E115-Q158 PolarHBondContact OE2-OE1 3.29Å; E115-K213 IonicContact OE1-NZ 2.62Å; E115-K213 PolarHBondContact OE1-NZ 3.42Å; E115-K213 IonicContact OE2-NZ 2.7Å; E115-K213 PolarHBondContact OE2-NZ 3.32Å
116V93.7Very high93Very high0 Ų023.1 Ų23.10%013%0.129CC..Hα-helixtrans-57.6-46.8174.71700000110.6V112 P113 R120 I142 Q217V112-V116 HydrophobicContact CG1-CG2 4.11Å; V112-V116 WeakPolarHBondContact O-CG2 3.35Å; V112-V116 PolarHBondContact O-N 3.43Å; P113-V116 PolarHBondContact O-N 3.1Å; V116-R120 WeakPolarHBondContact O-CG 3.37Å; V116-R120 PolarHBondContact O-N 3.02Å; V116-R120 VanDerWaalsContact O-N 3.08Å; V116-I142 HydrophobicContact CG1-CD1 4.04Å; V116-Q217 HydrophobicContact CG2-CB 4.46Å; V116-Q217 HydrophobicContact CG2-CG 3.95Å
117I94.4Very high92.6Very high15 Ų1523.7 Ų23.78%0.07713%0.127CC..Hα-helixtrans-64.4-45.1178.5-64.1161.7000110.2I63 P113 E115 R120 Q121 A135 C138 V139 I142 L151I63-I117 HydrophobicContact CG1-CG2 4.1Å; P113-I117 WeakPolarHBondContact O-CD1 3.33Å; P113-I117 WeakPolarHBondContact O-CG1 3.34Å; P113-I117 PolarHBondContact O-N 2.95Å; E115-I117 VanDerWaalsContact C-N 3.32Å; E115-I117 PolarHBondContact O-N 3.11Å; I117-R120 PolarHBondContact O-N 3.04Å; I117-Q121 VanDerWaalsContact O-CG 3.32Å; I117-Q121 WeakPolarHBondContact O-CG 3.37Å; I117-Q121 PolarHBondContact O-N 3.23Å; I117-A135 HydrophobicContact CG2-CB 4.11Å; I117-C138 HydrophobicContact CG2-CB 4.37Å; I117-V139 HydrophobicContact CD1-CG2 3.47Å; I117-V139 VanDerWaalsContact CD1-CG2 3.47Å; I117-V139 HydrophobicContact CG1-CG2 3.96Å; I117-I142 HydrophobicContact CG1-CD1 4.32Å; I117-L151 HydrophobicContact CD1-CD2 4.4Å; I117-L151 HydrophobicContact CG1-CD2 4.39Å
118K95.4Very high92Very high25 Ų2525.2 Ų25.211%0.10914%0.141CC..Hα-helixtrans-54.9-54.8176.5176.6-165.5176174.20110.9D27 P64 V114 E115 R120 Q121 Q122D27-K118 IonicContact OD2-NZ 2.76Å; D27-K118 PolarHBondContact OD2-NZ 3.35Å; P64-K118 HydrophobicContact CG-CB 4.11Å; P64-K118 HydrophobicContact CG-CD 3.75Å; P64-K118 HydrophobicContact CG-CG 4Å; V114-K118 VanDerWaalsContact O-CB 3.32Å; V114-K118 WeakPolarHBondContact O-CB 3.19Å; V114-K118 PolarHBondContact O-N 2.87Å; E115-K118 WeakPolarHBondContact O-CB 3.35Å; E115-K118 PolarHBondContact O-N 2.94Å; K118-R120 PolarHBondContact O-N 2.61Å; K118-Q121 PolarHBondContact O-N 3.09Å; K118-Q122 WeakPolarHBondContact O-CG 3.36Å; K118-Q122 PolarHBondContact O-N 3.41Å
119I94.1Very high91.3Very high4 Ų428.6 Ų28.62%0.02118%0.18CC..Hα-helixtrans-62.5-44.5-175.5-68.9-173.1000110.8V31 E115 Q121 Q122 C123 T214 Q217 A218V31-I119 HydrophobicContact CG1-CG2 4Å; V31-I119 HydrophobicContact CG2-CG1 4.26Å; E115-I119 HydrophobicContact CG-CD1 4.09Å; E115-I119 HydrophobicContact CG-CG1 4.28Å; E115-I119 WeakPolarHBondContact O-CG1 3.32Å; E115-I119 PolarHBondContact O-N 3.45Å; I119-Q121 VanDerWaalsContact C-N 3.31Å; I119-Q121 PolarHBondContact O-N 2.91Å; I119-Q122 CarbonylContact O-C 3.4Å; I119-Q122 PolarHBondContact O-N 2.84Å; I119-C123 PolarHBondContact O-N 2.93Å; I119-C123 PolarHBondContact O-SG 2.94Å; I119-T214 HydrophobicContact CG2-CG2 4.19Å; I119-Q217 HydrophobicContact CB-CB 4.41Å; I119-Q217 HydrophobicContact CD1-CB 4.16Å; I119-Q217 HydrophobicContact CG2-CB 4.22Å; I119-A218 HydrophobicContact CG2-CB 4.46Å
120R92.7Very high90.7Very high26 Ų2628.7 Ų28.710%0.09818%0.175CC..Hα-helixtrans-61.5-38.8176.9-71.4-167.3-172.4-16711.3112.8V116 I117 K118 Q122 M124 L133 I142 Q217V116-R120 WeakPolarHBondContact O-CG 3.37Å; V116-R120 PolarHBondContact O-N 3.02Å; V116-R120 VanDerWaalsContact O-N 3.08Å; I117-R120 PolarHBondContact O-N 3.04Å; K118-R120 PolarHBondContact O-N 2.61Å; R120-Q122 VanDerWaalsContact C-N 3.32Å; R120-M124 WeakPolarHBondContact O-CG 3.06Å; R120-L133 HydrophobicContact CB-CD2 4.43Å; R120-I142 VanDerWaalsContact CZ-CG1 3.45Å; R120-Q217 VanDerWaalsContact CG-O 3.28Å; R120-Q217 WeakPolarHBondContact CG-O 3.4Å; R120-Q217 PolarHBondContact NE-O 3.47Å
121Q93.9Very high90Very high10 Ų1036.5 Ų36.55%0.04721%0.206CC..Hα-helixtrans-66.9-34.4174.5-69.3-175.1-71.800112.3T59 I117 K118 I119 L133T59-Q121 WeakPolarHBondContact CG2-O 3.3Å; T59-Q121 PolarHBondContact OG1-O 3.25Å; I117-Q121 VanDerWaalsContact O-CG 3.32Å; I117-Q121 WeakPolarHBondContact O-CG 3.37Å; I117-Q121 PolarHBondContact O-N 3.23Å; K118-Q121 PolarHBondContact O-N 3.09Å; I119-Q121 VanDerWaalsContact C-N 3.31Å; I119-Q121 PolarHBondContact O-N 2.91Å; Q121-L133 HydrophobicContact CG-CD2 4.46Å; Q121-L133 HydrophobicContact CG-CG 4.47Å; Q121-L133 PolarHBondContact NE2-O 2.95Å
122Q94.6Very high89.5Confident1 Ų141.3 Ų41.31%0.00522%0.224CC..Hα-helixtrans-73.9-34.9177.6-73.3178.9-48.300113.2H24 T28 V31 T59 K118 I119 R120 M124 A125H24-Q122 PolarHBondContact CE1-NE2 3.47Å; H24-Q122 VanDerWaalsContact CE1-NE2 3.32Å; H24-Q122 PolarHBondContact NE2-NE2 3.46Å; T28-Q122 HydrophobicContact CG2-CB 4.47Å; T28-Q122 HydrophobicContact CG2-CG 4.38Å; T28-Q122 PolarHBondContact OG1-NE2 3.14Å; V31-Q122 HydrophobicContact CB-CB 3.92Å; V31-Q122 HydrophobicContact CG1-CB 3.72Å; V31-Q122 HydrophobicContact CG2-CB 4.27Å; T59-Q122 HydrophobicContact CG2-CG 4.33Å; T59-Q122 WeakPolarHBondContact O-CG 3.21Å; K118-Q122 WeakPolarHBondContact O-CG 3.36Å; K118-Q122 PolarHBondContact O-N 3.41Å; I119-Q122 CarbonylContact O-C 3.4Å; I119-Q122 PolarHBondContact O-N 2.84Å; R120-Q122 VanDerWaalsContact C-N 3.32Å; Q122-M124 PolarHBondContact O-N 3.46Å; Q122-A125 WeakPolarHBondContact O-CB 3.22Å; Q122-A125 PolarHBondContact O-N 3.03Å
123C91.5Very high89.1Confident8 Ų843.2 Ų43.25%0.05423%0.234CC..Hα-helixtrans-59-32.1172.9-68.70000112.1V31 S35 I119 A125 H127 A218V31-C123 VanDerWaalsContact CG1-SG 3.51Å; S35-C123 PolarHBondContact OG-SG 3.35Å; S35-C123 VanDerWaalsContact OG-SG 3.37Å; I119-C123 PolarHBondContact O-N 2.93Å; I119-C123 PolarHBondContact O-SG 2.94Å; C123-A125 PolarHBondContact O-N 3.37Å; C123-H127 PolarHBondContact O-CE1 2.93Å; C123-H127 PolarHBondContact O-ND1 3.13Å; C123-A218 WeakPolarHBondContact SG-CB 3.49Å
124M89.7Confident88.9Confident50 Ų5045.1 Ų45.125%0.24625%0.246CC..G310 helixtrans-81.75.7176.6-55.1-68.899.100113.3R120 Q122 E130 L133R120-M124 WeakPolarHBondContact O-CG 3.06Å; Q122-M124 PolarHBondContact O-N 3.46Å; M124-E130 VanDerWaalsContact SD-OE2 3.35Å; M124-L133 HydrophobicContact CG-CB 4.2Å; M124-L133 HydrophobicContact CG-CD2 4.21Å
125A90.2Very high88.8Confident0 Ų045.2 Ų45.20%025%0.249CC..G310 helixtrans-73.4-28.8178.300000112.6T28 V32 I49 T52 T59 Q122 C123T28-A125 HydrophobicContact CG2-CB 3.42Å; T28-A125 VanDerWaalsContact CG2-CB 3.42Å; V32-A125 HydrophobicContact CG2-CB 4.38Å; I49-A125 HydrophobicContact CG1-CB 4.23Å; T52-A125 WeakPolarHBondContact CG2-O 3.28Å; T52-A125 PolarHBondContact OG1-O 2.85Å; T59-A125 HydrophobicContact CG2-CB 3.73Å; Q122-A125 WeakPolarHBondContact O-CB 3.22Å; Q122-A125 PolarHBondContact O-N 3.03Å; C123-A125 PolarHBondContact O-N 3.37Å
126S88.2Confident88.7Confident22 Ų2254.1 Ų54.115%0.15428%0.281CS..G310 helixtrans-104.521.2-176.465.10000113.4P128S126-P128 VanDerWaalsContact O-CD 3.3Å; S126-P128 WeakPolarHBondContact O-CD 3.19Å
127H86.4Confident88.7Confident72 Ų7260 Ų6033%0.33331%0.307SS..  trans-109.994.5-179.5-70.175.2000109.7C123 E130C123-H127 PolarHBondContact O-CE1 2.93Å; C123-H127 PolarHBondContact O-ND1 3.13Å; H127-E130 HydrophobicContact CB-CB 4.15Å; H127-E130 HydrophobicContact CB-CG 4.05Å; H127-E130 IonicContact CD2-OE1 3.72Å; H127-E130 PolarHBondContact O-N 2.98Å
128P78.5Confident88.6Confident72 Ų7259.4 Ų59.447%0.46830%0.304SS..THydrogen-bonded Turntrans-57.1143.2175-23.733.7000112T52 S126 E130T52-P128 HydrophobicContact CG2-CB 4.42Å; T52-P128 HydrophobicContact CG2-CG 4.12Å; S126-P128 VanDerWaalsContact O-CD 3.3Å; S126-P128 WeakPolarHBondContact O-CD 3.19Å; P128-E130 PolarHBondContact O-N 2.85Å; P128-E130 VanDerWaalsContact O-N 3.16Å
129G78Confident88.5Confident89 Ų8960.2 Ų60.292%0.91831%0.31SS*.THydrogen-bonded Turntrans79.1-18.3179.600000115.5
130E80.3Confident88.6Confident93 Ų9365.1 Ų65.144%0.43533%0.333SS..PPolyproline II helixtrans-78.7132.3177.7-69.5-165.5-165.400112.8R56 M124 H127 P128R56-E130 PolarHBondContact NH2-O 3.35Å; M124-E130 VanDerWaalsContact SD-OE2 3.35Å; H127-E130 HydrophobicContact CB-CB 4.15Å; H127-E130 HydrophobicContact CB-CG 4.05Å; H127-E130 IonicContact CD2-OE1 3.72Å; H127-E130 PolarHBondContact O-N 2.98Å; P128-E130 PolarHBondContact O-N 2.85Å; P128-E130 VanDerWaalsContact O-N 3.16Å
131K80.4Confident88.6Confident186 Ų18667.2 Ų67.281%0.80935%0.349SS*.PPolyproline II helixtrans-62140.4175-68.2-174-178.7179.10109.7L133K131-L133 PolarHBondContact O-N 3.43Å; K131-L133 VanDerWaalsContact O-N 3.09Å
132K81.6Confident88.5Confident115 Ų11566.8 Ų66.850%0.535%0.347SS..PPolyproline II helixtrans-50.8120.3175.4-176.2178.5-178.7177.30110.3T134K132-T134 PolarHBondContact O-N 2.93Å
133L85Confident88.4Confident40 Ų4069.7 Ų69.721%0.20936%0.362CS..  trans-66.8106.2173.7-17863.1000108.8R120 Q121 M124 K131 K137 C138R120-L133 HydrophobicContact CB-CD2 4.43Å; Q121-L133 HydrophobicContact CG-CD2 4.46Å; Q121-L133 HydrophobicContact CG-CG 4.47Å; Q121-L133 PolarHBondContact NE2-O 2.95Å; M124-L133 HydrophobicContact CG-CB 4.2Å; M124-L133 HydrophobicContact CG-CD2 4.21Å; K131-L133 PolarHBondContact O-N 3.43Å; K131-L133 VanDerWaalsContact O-N 3.09Å; L133-K137 HydrophobicContact CD1-CB 3.93Å; L133-C138 HydrophobicContact CD1-CB 4.26Å; L133-C138 HydrophobicContact CD2-CB 3.86Å; L133-C138 HydrophobicContact CG-CB 3.93Å
134T90.4Very high88.5Confident61 Ų6178.6 Ų78.637%0.37440%0.395SS..  trans-69.7149.6173.2630000109.9K132 R136 K137 C138K132-T134 PolarHBondContact O-N 2.93Å; T134-R136 VanDerWaalsContact C-N 3.26Å; T134-R136 PolarHBondContact O-N 3.25Å; T134-K137 PolarHBondContact O-N 3.49Å; T134-K137 VanDerWaalsContact O-N 3.13Å; T134-K137 VanDerWaalsContact OG1-CB 3.32Å; T134-K137 WeakPolarHBondContact OG1-CB 3.42Å; T134-K137 VanDerWaalsContact OG1-CG 3.24Å; T134-K137 WeakPolarHBondContact OG1-CG 3.37Å; T134-K137 PolarHBondContact OG1-N 3Å; T134-C138 PolarHBondContact O-N 3.48Å
135A91.4Very high88.5Confident24 Ų2483.3 Ų83.320%0.19842%0.418CS..Hα-helixtrans-56.3-40177.900000112.5I63 I117 K137 C138 V139I63-A135 HydrophobicContact CD1-CB 3.63Å; I63-A135 HydrophobicContact CG1-CB 3.85Å; I117-A135 HydrophobicContact CG2-CB 4.11Å; A135-K137 PolarHBondContact O-N 3.38Å; A135-C138 WeakPolarHBondContact O-CB 3.38Å; A135-C138 PolarHBondContact O-N 2.95Å; A135-V139 WeakPolarHBondContact O-CG2 3.43Å; A135-V139 PolarHBondContact O-N 2.86Å
136R93.2Very high88.4Confident224 Ų22485.5 Ų85.585%0.84543%0.428SS*.Hα-helixtrans-58.6-49.3176-67.5-175.9-179175.10.2112.5T134 C138 V139 H140T134-R136 VanDerWaalsContact C-N 3.26Å; T134-R136 PolarHBondContact O-N 3.25Å; R136-C138 VanDerWaalsContact C-N 3.34Å; R136-V139 PolarHBondContact O-N 3.25Å; R136-H140 WeakPolarHBondContact O-CB 3.36Å; R136-H140 PolarHBondContact O-N 3.2Å
137K93Very high88.5Confident124 Ų12485.7 Ų85.754%0.53943%0.434SS..Hα-helixtrans-62-42.1174.9-71.6179.8179.2-173.20111.5L133 T134 A135 H140 T141L133-K137 HydrophobicContact CD1-CB 3.93Å; T134-K137 PolarHBondContact O-N 3.49Å; T134-K137 VanDerWaalsContact O-N 3.13Å; T134-K137 VanDerWaalsContact OG1-CB 3.32Å; T134-K137 WeakPolarHBondContact OG1-CB 3.42Å; T134-K137 VanDerWaalsContact OG1-CG 3.24Å; T134-K137 WeakPolarHBondContact OG1-CG 3.37Å; T134-K137 PolarHBondContact OG1-N 3Å; A135-K137 PolarHBondContact O-N 3.38Å; K137-H140 PolarHBondContact O-N 3.49Å; K137-T141 WeakPolarHBondContact O-CB 3.3Å; K137-T141 PolarHBondContact O-N 3.39Å; K137-T141 PolarHBondContact O-OG1 3.43Å
138C92.3Very high88.7Confident2 Ų289.7 Ų89.71%0.01445%0.451CS..Hα-helixtrans-57-52.9176.6-170.90000111.3I117 L133 T134 A135 R136 H140 T141 I142I117-C138 HydrophobicContact CG2-CB 4.37Å; L133-C138 HydrophobicContact CD1-CB 4.26Å; L133-C138 HydrophobicContact CD2-CB 3.86Å; L133-C138 HydrophobicContact CG-CB 3.93Å; T134-C138 PolarHBondContact O-N 3.48Å; A135-C138 WeakPolarHBondContact O-CB 3.38Å; A135-C138 PolarHBondContact O-N 2.95Å; R136-C138 VanDerWaalsContact C-N 3.34Å; C138-H140 PolarHBondContact O-N 3.23Å; C138-T141 PolarHBondContact O-N 3.12Å; C138-I142 WeakPolarHBondContact O-CD1 2.85Å; C138-I142 VanDerWaalsContact O-CG1 3.23Å; C138-I142 WeakPolarHBondContact O-CG1 3.28Å; C138-I142 PolarHBondContact O-N 3.48Å
139V94.2Very high89.3Confident42 Ų4291.6 Ų91.626%0.25546%0.461SS..Hα-helixtrans-60-46.4177.6173.10000111.1I117 A135 R136 T141 I142 L143I117-V139 HydrophobicContact CD1-CG2 3.47Å; I117-V139 VanDerWaalsContact CD1-CG2 3.47Å; I117-V139 HydrophobicContact CG1-CG2 3.96Å; A135-V139 WeakPolarHBondContact O-CG2 3.43Å; A135-V139 PolarHBondContact O-N 2.86Å; R136-V139 PolarHBondContact O-N 3.25Å; V139-T141 VanDerWaalsContact C-N 3.35Å; V139-T141 PolarHBondContact O-N 3.17Å; V139-I142 PolarHBondContact O-N 2.89Å; V139-L143 HydrophobicContact CG1-CD1 3.82Å; V139-L143 HydrophobicContact CG1-CG 4.25Å; V139-L143 WeakPolarHBondContact O-CG 3.21Å; V139-L143 PolarHBondContact O-N 3.11Å
140H95.1Very high89.8Confident106 Ų10687.5 Ų87.549%0.49142%0.419SS..Hα-helixtrans-58-47177.8-17479.5000111.8R136 K137 C138 L143 R144R136-H140 WeakPolarHBondContact O-CB 3.36Å; R136-H140 PolarHBondContact O-N 3.2Å; K137-H140 PolarHBondContact O-N 3.49Å; C138-H140 PolarHBondContact O-N 3.23Å; H140-L143 PolarHBondContact O-N 3.24Å; H140-R144 WeakPolarHBondContact O-CB 3.33Å; H140-R144 VanDerWaalsContact O-CG 3.27Å; H140-R144 WeakPolarHBondContact O-CG 3.47Å; H140-R144 PolarHBondContact O-N 3.38Å
141T92.1Very high90.3Very high71 Ų7184 Ų8444%0.43640%0.403SS..Hα-helixtrans-63.8-40.6177.3-59.70000111.9K137 C138 V139 R144 M145K137-T141 WeakPolarHBondContact O-CB 3.3Å; K137-T141 PolarHBondContact O-N 3.39Å; K137-T141 PolarHBondContact O-OG1 3.43Å; C138-T141 PolarHBondContact O-N 3.12Å; V139-T141 VanDerWaalsContact C-N 3.35Å; V139-T141 PolarHBondContact O-N 3.17Å; T141-R144 PolarHBondContact O-N 2.88Å; T141-M145 HydrophobicContact CG2-CG 4.2Å; T141-M145 WeakPolarHBondContact O-CB 3.36Å; T141-M145 VanDerWaalsContact O-CG 3.26Å; T141-M145 WeakPolarHBondContact O-CG 3.36Å; T141-M145 PolarHBondContact O-N 2.87Å
142I92Very high90.9Very high0 Ų080 Ų800%038%0.383CS..Hα-helixtrans-59.1-53.6175.3-68.9159.7000110.3V116 I117 R120 C138 V139 R144 M145 Q146 G147 L151V116-I142 HydrophobicContact CG1-CD1 4.04Å; I117-I142 HydrophobicContact CG1-CD1 4.32Å; R120-I142 VanDerWaalsContact CZ-CG1 3.45Å; C138-I142 WeakPolarHBondContact O-CD1 2.85Å; C138-I142 VanDerWaalsContact O-CG1 3.23Å; C138-I142 WeakPolarHBondContact O-CG1 3.28Å; C138-I142 PolarHBondContact O-N 3.48Å; V139-I142 PolarHBondContact O-N 2.89Å; I142-R144 VanDerWaalsContact C-N 3.3Å; I142-R144 PolarHBondContact O-N 3.21Å; I142-M145 PolarHBondContact O-N 2.92Å; I142-Q146 PolarHBondContact O-N 2.99Å; I142-G147 PolarHBondContact O-N 3.43Å; I142-L151 HydrophobicContact CB-CD2 4.4Å; I142-L151 HydrophobicContact CD1-CD2 3.85Å; I142-L151 HydrophobicContact CG2-CD2 3.94Å; I142-L151 HydrophobicContact CG2-CG 3.86Å
143L93.3Very high91.1Very high63 Ų6375.3 Ų75.333%0.3337%0.365SS..Hα-helixtrans-63.9-36.1-176.8-67.4176.5000112V139 H140 G147 F148 L151V139-L143 HydrophobicContact CG1-CD1 3.82Å; V139-L143 HydrophobicContact CG1-CG 4.25Å; V139-L143 WeakPolarHBondContact O-CG 3.21Å; V139-L143 PolarHBondContact O-N 3.11Å; H140-L143 PolarHBondContact O-N 3.24Å; L143-G147 VanDerWaalsContact O-CA 3.22Å; L143-G147 WeakPolarHBondContact O-CA 3.29Å; L143-G147 PolarHBondContact O-N 2.96Å; L143-G147 VanDerWaalsContact O-N 3.1Å; L143-F148 HydrophobicContact CD2-CD1 3.9Å; L143-F148 HydrophobicContact CD2-CD2 4.47Å; L143-F148 HydrophobicContact CD2-CE1 4.07Å; L143-F148 HydrophobicContact CD2-CG 4.11Å; L143-F148 HydrophobicContact CD2-CZ 4.44Å; L143-L151 HydrophobicContact CD2-CD1 3.94Å
144R93.3Very high91.1Very high195 Ų19573.6 Ų73.674%0.73636%0.357SS*.Hα-helixtrans-68-41.5175.8-76.8-69.3-158.9178.23.9113.3H140 T141 I142H140-R144 WeakPolarHBondContact O-CB 3.33Å; H140-R144 VanDerWaalsContact O-CG 3.27Å; H140-R144 WeakPolarHBondContact O-CG 3.47Å; H140-R144 PolarHBondContact O-N 3.38Å; T141-R144 PolarHBondContact O-N 2.88Å; I142-R144 VanDerWaalsContact C-N 3.3Å; I142-R144 PolarHBondContact O-N 3.21Å
145M90.5Very high91Very high149 Ų14972.5 Ų72.573%0.73435%0.351SS*.Hα-helixtrans-91.1-32.6-171.6-66.1-64.2-64.400113.8T141 I142T141-M145 HydrophobicContact CG2-CG 4.2Å; T141-M145 WeakPolarHBondContact O-CB 3.36Å; T141-M145 VanDerWaalsContact O-CG 3.26Å; T141-M145 WeakPolarHBondContact O-CG 3.36Å; T141-M145 PolarHBondContact O-N 2.87Å; I142-M145 PolarHBondContact O-N 2.92Å
146Q87.8Confident90.8Very high45 Ų4576.6 Ų76.621%0.2137%0.368CS..Hα-helixtrans-131.4-3.9-170.5-65.9171-0.600112.5I142 T149 G150I142-Q146 PolarHBondContact O-N 2.99Å; Q146-T149 PolarHBondContact O-OG1 3.47Å; Q146-G150 VanDerWaalsContact OE1-CA 3.26Å
147G89.9Confident90.4Very high27 Ų2766.7 Ų66.728%0.27833%0.331SS..THydrogen-bonded Turntrans63.5-160.1-172.600000112.9I142 L143 T149 G150I142-G147 PolarHBondContact O-N 3.43Å; L143-G147 VanDerWaalsContact O-CA 3.22Å; L143-G147 WeakPolarHBondContact O-CA 3.29Å; L143-G147 PolarHBondContact O-N 2.96Å; L143-G147 VanDerWaalsContact O-N 3.1Å; G147-T149 VanDerWaalsContact C-N 3.29Å; G147-T149 PolarHBondContact O-N 3.38Å; G147-G150 PolarHBondContact O-N 3.39Å
148F91.3Very high90.1Very high156 Ų15661.1 Ų61.168%0.68431%0.307SS*.G310 helixtrans-65-30.9-179.7-75.7-82.6000113.3L143 G150 L151L143-F148 HydrophobicContact CD2-CD1 3.9Å; L143-F148 HydrophobicContact CD2-CD2 4.47Å; L143-F148 HydrophobicContact CD2-CE1 4.07Å; L143-F148 HydrophobicContact CD2-CG 4.11Å; L143-F148 HydrophobicContact CD2-CZ 4.44Å; F148-G150 PolarHBondContact O-N 3.15Å; F148-L151 WeakPolarHBondContact O-CB 3.35Å; F148-L151 PolarHBondContact O-N 3.39Å; F148-L151 VanDerWaalsContact O-N 3.11Å
149T89.5Confident89.8Confident111 Ų11162.4 Ų62.468%0.68132%0.319SS*.G310 helixtrans-64-27.2178.757.10000112Q146 G147 L151 Y152 S153Q146-T149 PolarHBondContact O-OG1 3.47Å; G147-T149 VanDerWaalsContact C-N 3.29Å; G147-T149 PolarHBondContact O-N 3.38Å; T149-L151 VanDerWaalsContact C-N 3.27Å; T149-L151 PolarHBondContact O-N 2.75Å; T149-Y152 CarbonylContact O-C 3.41Å; T149-Y152 PolarHBondContact O-N 2.69Å; T149-S153 PolarHBondContact O-N 2.93Å
150G88.8Confident89.3Confident3 Ų366.1 Ų66.13%0.03133%0.331CS..G310 helixtrans-61.7-30.3174.100000114.3Q146 G147 F148 Y152 S153Q146-G150 VanDerWaalsContact OE1-CA 3.26Å; G147-G150 PolarHBondContact O-N 3.39Å; F148-G150 PolarHBondContact O-N 3.15Å; G150-Y152 PolarHBondContact O-N 2.87Å; G150-S153 PolarHBondContact O-N 3.32Å
151L91.6Very high88.6Confident21 Ų2162.6 Ų62.611%0.1131%0.314CS..G310 helixtrans-72.8-18.3174.7-69.1170.5000112.6P113 I117 I142 L143 F148 T149P113-L151 WeakPolarHBondContact CA-O 3.5Å; P113-L151 HydrophobicContact CB-CB 4.28Å; P113-L151 HydrophobicContact CG-CB 4.4Å; I117-L151 HydrophobicContact CD1-CD2 4.4Å; I117-L151 HydrophobicContact CG1-CD2 4.39Å; I142-L151 HydrophobicContact CB-CD2 4.4Å; I142-L151 HydrophobicContact CD1-CD2 3.85Å; I142-L151 HydrophobicContact CG2-CD2 3.94Å; I142-L151 HydrophobicContact CG2-CG 3.86Å; L143-L151 HydrophobicContact CD2-CD1 3.94Å; F148-L151 WeakPolarHBondContact O-CB 3.35Å; F148-L151 PolarHBondContact O-N 3.39Å; F148-L151 VanDerWaalsContact O-N 3.11Å; T149-L151 VanDerWaalsContact C-N 3.27Å; T149-L151 PolarHBondContact O-N 2.75Å
152Y91.7Very high88Confident100 Ų10061.2 Ų61.239%0.39230%0.304SS..G310 helixtrans-109.219.9178.6-68.3-81.5000112.2V109 V112 P113 T149 G150 G154 T155V109-Y152 WeakPolarHBondContact O-CE1 3.41Å; V109-Y152 PolarHBondContact O-OH 3.1Å; V109-Y152 VanDerWaalsContact O-OH 3.14Å; V112-Y152 HydrophobicContact CB-CD1 4.23Å; V112-Y152 HydrophobicContact CG1-CD1 4.38Å; P113-Y152 HydrophobicContact CG-CD1 4.35Å; P113-Y152 HydrophobicContact CG-CE1 3.76Å; P113-Y152 HydrophobicContact CG-CE2 4.2Å; T149-Y152 CarbonylContact O-C 3.41Å; T149-Y152 PolarHBondContact O-N 2.69Å; G150-Y152 PolarHBondContact O-N 2.87Å; Y152-G154 PolarHBondContact O-N 3.28Å; Y152-T155 PolarHBondContact O-N 3.27Å; Y152-T155 PolarHBondContact O-OG1 3.45Å
153S87Confident87.5Confident18 Ų1866.7 Ų66.713%0.12633%0.332CS..THydrogen-bonded Turntrans-63.7129.1175.5-169.40000110.4T149 G150 Q216 Q217T149-S153 PolarHBondContact O-N 2.93Å; G150-S153 PolarHBondContact O-N 3.32Å; S153-Q216 WeakPolarHBondContact OG-CG 3.4Å; S153-Q217 WeakPolarHBondContact O-CG 3.42Å; S153-Q217 PolarHBondContact O-NE2 2.98Å
154G85.4Confident87Confident4 Ų465.7 Ų65.74%0.04133%0.329CS..THydrogen-bonded Turntrans83.56.2178.100000115.7Y152 I156 I157 Q158Y152-G154 PolarHBondContact O-N 3.28Å; G154-I156 VanDerWaalsContact C-N 3.26Å; G154-I156 PolarHBondContact O-N 2.7Å; G154-I157 PolarHBondContact O-N 2.62Å; G154-I157 VanDerWaalsContact O-N 3.11Å; G154-Q158 PolarHBondContact O-N 3.33Å
155T87.5Confident86.6Confident38 Ų3856.5 Ų56.523%0.23330%0.295CS..Hα-helixtrans-50.5-45.8176.5-60.60000112.5L108 V112 Y152 Q158 A159L108-T155 HydrophobicContact CB-CG2 4.36Å; L108-T155 HydrophobicContact CD1-CG2 4.1Å; V112-T155 HydrophobicContact CG2-CG2 4.23Å; Y152-T155 PolarHBondContact O-N 3.27Å; Y152-T155 PolarHBondContact O-OG1 3.45Å; T155-Q158 WeakPolarHBondContact O-CB 3.2Å; T155-Q158 PolarHBondContact O-N 3.33Å; T155-A159 PolarHBondContact O-N 2.91Å
156I86.6Confident86.3Confident110 Ų11054.5 Ų54.556%0.56429%0.285SS*.Hα-helixtrans-62.4-47.6-180-65173.5000110.6G154 Q158 A159 F160G154-I156 VanDerWaalsContact C-N 3.26Å; G154-I156 PolarHBondContact O-N 2.7Å; I156-Q158 VanDerWaalsContact C-N 3.28Å; I156-Q158 PolarHBondContact O-N 2.95Å; I156-A159 PolarHBondContact O-N 2.97Å; I156-F160 HydrophobicContact CG2-CD2 3.6Å; I156-F160 HydrophobicContact CG2-CE2 3.67Å; I156-F160 VanDerWaalsContact O-CD2 3.28Å; I156-F160 WeakPolarHBondContact O-CD2 3.18Å; I156-F160 PolarHBondContact O-N 2.9Å
157I86.4Confident86.2Confident15 Ų1556.7 Ų56.78%0.07730%0.302CS..Hα-helixtrans-65-35.6179.8-56.1-57.4000111.1G154 F160 R161 F209 I212 K213 I224G154-I157 PolarHBondContact O-N 2.62Å; G154-I157 VanDerWaalsContact O-N 3.11Å; I157-F160 PolarHBondContact O-N 2.91Å; I157-R161 WeakPolarHBondContact O-CB 3.22Å; I157-R161 PolarHBondContact O-N 3.17Å; I157-F209 HydrophobicContact CG2-CB 4.16Å; I157-F209 VanDerWaalsContact CG2-O 3.26Å; I157-F209 WeakPolarHBondContact CG2-O 3.32Å; I157-I212 HydrophobicContact CD1-CG2 4.38Å; I157-I212 HydrophobicContact CG1-CG2 4.3Å; I157-I212 HydrophobicContact CG2-CB 4.44Å; I157-I212 HydrophobicContact CG2-CG2 4.31Å; I157-K213 HydrophobicContact CB-CB 4.38Å; I157-K213 HydrophobicContact CG2-CB 3.78Å; I157-K213 HydrophobicContact CG2-CG 4.39Å; I157-I224 HydrophobicContact CD1-CD1 3.71Å; I157-I224 HydrophobicContact CD1-CG1 4.05Å; I157-I224 HydrophobicContact CD1-CG2 4.32Å; I157-I224 HydrophobicContact CG1-CD1 3.89Å; I157-I224 HydrophobicContact CG1-CG1 4.05Å
158Q85.6Confident86.1Confident7 Ų756 Ų563%0.03329%0.293CS..Hα-helixtrans-63.3-46.5174.7-174.4165.5-1600111.7L108 E115 G154 T155 I156 F160 R161 D162 K213L108-Q158 HydrophobicContact CD2-CB 4.38Å; L108-Q158 HydrophobicContact CD2-CG 3.84Å; E115-Q158 VanDerWaalsContact OE2-CD 3.25Å; E115-Q158 PolarHBondContact OE2-NE2 3.08Å; E115-Q158 PolarHBondContact OE2-OE1 3.29Å; G154-Q158 PolarHBondContact O-N 3.33Å; T155-Q158 WeakPolarHBondContact O-CB 3.2Å; T155-Q158 PolarHBondContact O-N 3.33Å; I156-Q158 VanDerWaalsContact C-N 3.28Å; I156-Q158 PolarHBondContact O-N 2.95Å; Q158-F160 PolarHBondContact O-N 2.74Å; Q158-R161 WeakPolarHBondContact O-CB 3.36Å; Q158-R161 PolarHBondContact O-N 3.37Å; Q158-D162 VanDerWaalsContact O-CG 3.28Å; Q158-D162 PolarHBondContact O-N 3.29Å; Q158-D162 VanDerWaalsContact O-N 3.15Å; Q158-K213 HydrophobicContact CB-CD 3.95Å; Q158-K213 HydrophobicContact CG-CD 4.39Å
159A85.7Confident86.1Confident30 Ų3052.1 Ų52.125%0.24828%0.275CS..Hα-helixtrans-60.5-44.8175.400000111.9L108 T155 I156 R161 D162 I163L108-A159 HydrophobicContact CD1-CB 4.04Å; T155-A159 PolarHBondContact O-N 2.91Å; I156-A159 PolarHBondContact O-N 2.97Å; A159-R161 VanDerWaalsContact C-N 3.3Å; A159-R161 PolarHBondContact O-N 3.48Å; A159-D162 PolarHBondContact O-N 2.91Å; A159-I163 PolarHBondContact O-N 3.43Å
160F83.4Confident86Confident119 Ų11953.2 Ų53.252%0.52227%0.27SS..Hα-helixtrans-70-21177.2-84.8-69.8000114.3I156 I157 Q158 P164 F209I156-F160 HydrophobicContact CG2-CD2 3.6Å; I156-F160 HydrophobicContact CG2-CE2 3.67Å; I156-F160 VanDerWaalsContact O-CD2 3.28Å; I156-F160 WeakPolarHBondContact O-CD2 3.18Å; I156-F160 PolarHBondContact O-N 2.9Å; I157-F160 PolarHBondContact O-N 2.91Å; Q158-F160 PolarHBondContact O-N 2.74Å; F160-P164 WeakPolarHBondContact O-CD 3.4Å; F160-P164 WeakPolarHBondContact O-CG 3.23Å; F160-F209 HydrophobicContact CB-CD1 4.29Å; F160-F209 HydrophobicContact CB-CE1 4.26Å
161R80.7Confident86Confident32 Ų3260.7 Ų60.712%0.12130%0.299CS..Hα-helixtrans-73.3-45171.9-176.3-165.966.9-179.8-1.4110.3I157 Q158 A159 G165 F209 D210I157-R161 WeakPolarHBondContact O-CB 3.22Å; I157-R161 PolarHBondContact O-N 3.17Å; Q158-R161 WeakPolarHBondContact O-CB 3.36Å; Q158-R161 PolarHBondContact O-N 3.37Å; A159-R161 VanDerWaalsContact C-N 3.3Å; A159-R161 PolarHBondContact O-N 3.48Å; R161-G165 PolarHBondContact O-N 3.49Å; R161-F209 HydrophobicContact CB-CB 3.74Å; R161-F209 HydrophobicContact CB-CG 4.5Å; R161-F209 HydrophobicContact CG-CB 4.02Å; R161-D210 IonicContact CZ-OD1 3.99Å; R161-D210 IonicContact NH1-OD1 2.95Å; R161-D210 PolarHBondContact NH1-OD1 2.95Å
162D80Confident86Confident42 Ų4260.1 Ų60.123%0.22530%0.297CS..Hα-helixtrans-73.9-39.9-168.1-64.4-10000111.5Q158 A159 M166Q158-D162 VanDerWaalsContact O-CG 3.28Å; Q158-D162 PolarHBondContact O-N 3.29Å; Q158-D162 VanDerWaalsContact O-N 3.15Å; A159-D162 PolarHBondContact O-N 2.91Å; D162-M166 VanDerWaalsContact O-CB 3.28Å; D162-M166 WeakPolarHBondContact O-CB 3.35Å; D162-M166 WeakPolarHBondContact O-CG 3.41Å; D162-M166 PolarHBondContact O-N 3.41Å
163I81.4Confident85.9Confident115 Ų11559 Ų5959%0.5929%0.293SS*.Hα-helixtrans-65.7-54.9-176.1-63167.5000113.3A159 G165 M166 T167A159-I163 PolarHBondContact O-N 3.43Å; I163-G165 PolarHBondContact O-N 2.92Å; I163-M166 PolarHBondContact O-N 2.84Å; I163-T167 WeakPolarHBondContact O-CB 3.27Å; I163-T167 PolarHBondContact O-N 3.27Å; I163-T167 PolarHBondContact O-OG1 2.88Å
164P82.6Confident86.1Confident42 Ų4260.9 Ų60.927%0.27331%0.306SS..Hα-helixtrans-67.8-36.9-179.6-18.634.3000111.9F160 T167 A168 I205F160-P164 WeakPolarHBondContact O-CD 3.4Å; F160-P164 WeakPolarHBondContact O-CG 3.23Å; P164-T167 PolarHBondContact O-N 3.22Å; P164-A168 WeakPolarHBondContact O-CB 3.38Å; P164-A168 PolarHBondContact O-N 3.41Å; P164-I205 HydrophobicContact CB-CG2 3.89Å
165G84.7Confident86.3Confident2 Ų263.7 Ų63.72%0.02132%0.318CS..Hα-helixtrans-60.2-47.3176.100000111.9R161 I163 Y169 S202 S206R161-G165 PolarHBondContact O-N 3.49Å; I163-G165 PolarHBondContact O-N 2.92Å; G165-Y169 WeakPolarHBondContact O-CB 3.46Å; G165-Y169 PolarHBondContact O-N 3.34Å; G165-S202 WeakPolarHBondContact CA-OG 3.44Å; G165-S202 WeakPolarHBondContact O-CB 3.42Å; G165-S202 PolarHBondContact O-OG 2.84Å; G165-S206 WeakPolarHBondContact CA-OG 3.46Å
166M84.8Confident86.5Confident108 Ų10862.7 Ų62.753%0.53231%0.313SS..Hα-helixtrans-66.5-42.2176.9-70.4-67.1-177.700111.7D162 I163 A168 Y169 F170D162-M166 VanDerWaalsContact O-CB 3.28Å; D162-M166 WeakPolarHBondContact O-CB 3.35Å; D162-M166 WeakPolarHBondContact O-CG 3.41Å; D162-M166 PolarHBondContact O-N 3.41Å; I163-M166 PolarHBondContact O-N 2.84Å; M166-A168 VanDerWaalsContact C-N 3.35Å; M166-A168 PolarHBondContact O-N 3.29Å; M166-Y169 WeakPolarHBondContact O-CB 3.36Å; M166-Y169 PolarHBondContact O-N 2.91Å; M166-F170 HydrophobicContact CB-CD2 4.49Å; M166-F170 HydrophobicContact CB-CE2 4.41Å; M166-F170 WeakPolarHBondContact O-CD2 3.12Å; M166-F170 PolarHBondContact O-N 2.9Å; M166-F170 HydrophobicContact SD-CE2 4.48Å
167T85.6Confident86.7Confident90 Ų9059.1 Ų59.155%0.55229%0.294SS*.Hα-helixtrans-57.8-48.5178-57.70000111.2I163 P164 F170 Y171I163-T167 WeakPolarHBondContact O-CB 3.27Å; I163-T167 PolarHBondContact O-N 3.27Å; I163-T167 PolarHBondContact O-OG1 2.88Å; P164-T167 PolarHBondContact O-N 3.22Å; T167-F170 PolarHBondContact O-N 3.4Å; T167-Y171 WeakPolarHBondContact O-CB 3.37Å; T167-Y171 PolarHBondContact O-N 3.44Å
168A88.4Confident86.9Confident13 Ų1363.9 Ų63.911%0.10731%0.314CS..Hα-helixtrans-67-37.1178.300000112.8P164 M166 A172 I205P164-A168 WeakPolarHBondContact O-CB 3.38Å; P164-A168 PolarHBondContact O-N 3.41Å; M166-A168 VanDerWaalsContact C-N 3.35Å; M166-A168 PolarHBondContact O-N 3.29Å; A168-A172 WeakPolarHBondContact O-CB 3.37Å; A168-A172 PolarHBondContact O-N 3.45Å; A168-I205 HydrophobicContact CB-CD1 3.35Å
169Y89.9Confident87.3Confident74 Ų7468.3 Ų68.329%0.2934%0.337SS..Hα-helixtrans-57.5-56.3174.3-179.7-91.1000110.9G165 M166 Y171 A172 Y173 S198G165-Y169 WeakPolarHBondContact O-CB 3.46Å; G165-Y169 PolarHBondContact O-N 3.34Å; M166-Y169 WeakPolarHBondContact O-CB 3.36Å; M166-Y169 PolarHBondContact O-N 2.91Å; Y169-Y171 PolarHBondContact O-N 2.88Å; Y169-A172 PolarHBondContact O-N 3.47Å; Y169-Y173 VanDerWaalsContact O-CB 3.23Å; Y169-Y173 WeakPolarHBondContact O-CB 3.32Å; Y169-Y173 PolarHBondContact O-N 3.22Å; Y169-S198 VanDerWaalsContact CE2-OG 3.23Å; Y169-S198 WeakPolarHBondContact CE2-OG 3.38Å; Y169-S198 VanDerWaalsContact O-CB 3.26Å; Y169-S198 WeakPolarHBondContact O-CB 3.41Å
170F88.8Confident87.6Confident135 Ų13567 Ų6759%0.59233%0.326SS*.Hα-helixtrans-64.2-42-176.2-76-65.3000112.6M166 T167 Y173 S174M166-F170 HydrophobicContact CB-CD2 4.49Å; M166-F170 HydrophobicContact CB-CE2 4.41Å; M166-F170 WeakPolarHBondContact O-CD2 3.12Å; M166-F170 PolarHBondContact O-N 2.9Å; M166-F170 HydrophobicContact SD-CE2 4.48Å; T167-F170 PolarHBondContact O-N 3.4Å; F170-Y173 PolarHBondContact O-N 2.76Å; F170-S174 WeakPolarHBondContact O-CB 3.24Å; F170-S174 PolarHBondContact O-N 2.7Å
171Y89Confident88Confident159 Ų15968.6 Ų68.662%0.62433%0.333SS*.Hα-helixtrans-60.3-53.6176.1179.8-95.4000111.3T167 Y169 Y173 S174 E175T167-Y171 WeakPolarHBondContact O-CB 3.37Å; T167-Y171 PolarHBondContact O-N 3.44Å; Y169-Y171 PolarHBondContact O-N 2.88Å; Y171-Y173 VanDerWaalsContact C-N 3.3Å; Y171-Y173 PolarHBondContact O-N 3.06Å; Y171-S174 PolarHBondContact O-N 3.48Å; Y171-E175 HydrophobicContact CE1-CG 4.1Å; Y171-E175 HydrophobicContact CE2-CG 4.35Å; Y171-E175 PolarHBondContact O-N 3.08Å
172A90Very high88.6Confident9 Ų977 Ų777%0.07437%0.366CS..Hα-helixtrans-65.4-34.2-178.600000112.7A168 Y169 S176 L201A168-A172 WeakPolarHBondContact O-CB 3.37Å; A168-A172 PolarHBondContact O-N 3.45Å; Y169-A172 PolarHBondContact O-N 3.47Å; A172-S176 WeakPolarHBondContact O-CB 3.09Å; A172-S176 PolarHBondContact O-N 2.95Å; A172-S176 PolarHBondContact O-OG 3.19Å; A172-L201 HydrophobicContact CB-CD2 3.72Å
173Y91.1Very high89.3Confident77 Ų7780.1 Ų80.130%0.30238%0.382SS..Hα-helixtrans-64.7-49.3175.5-175.3-97.1000110.7Y169 F170 Y171 E175 S176 I177Y169-Y173 VanDerWaalsContact O-CB 3.23Å; Y169-Y173 WeakPolarHBondContact O-CB 3.32Å; Y169-Y173 PolarHBondContact O-N 3.22Å; F170-Y173 PolarHBondContact O-N 2.76Å; Y171-Y173 VanDerWaalsContact C-N 3.3Å; Y171-Y173 PolarHBondContact O-N 3.06Å; Y173-E175 PolarHBondContact O-N 3.29Å; Y173-S176 PolarHBondContact O-N 3.32Å; Y173-I177 HydrophobicContact CD1-CG1 4.14Å; Y173-I177 HydrophobicContact CE1-CD1 4.25Å; Y173-I177 HydrophobicContact CE1-CG1 3.78Å; Y173-I177 HydrophobicContact CE2-CD1 4.37Å; Y173-I177 HydrophobicContact CE2-CG1 4.46Å; Y173-I177 WeakPolarHBondContact O-CG1 3.34Å; Y173-I177 PolarHBondContact O-N 3.45Å
174S89.8Confident89.8Confident57 Ų5777.9 Ų77.940%0.39939%0.387SS..Hα-helixtrans-57.4-47.5178.6-168.20000112F170 Y171 I177 K178F170-S174 WeakPolarHBondContact O-CB 3.24Å; F170-S174 PolarHBondContact O-N 2.7Å; Y171-S174 PolarHBondContact O-N 3.48Å; S174-I177 PolarHBondContact O-N 3.07Å; S174-K178 WeakPolarHBondContact O-CG 3.24Å; S174-K178 PolarHBondContact O-N 2.83Å; S174-K178 VanDerWaalsContact O-N 3.12Å
175E91.1Very high90.3Very high63 Ų6378.7 Ų78.729%0.29439%0.389SS..Hα-helixtrans-66.2-40.1178.1-67.2-51.912200112.1Y171 Y173 I177 K178 I179Y171-E175 HydrophobicContact CE1-CG 4.1Å; Y171-E175 HydrophobicContact CE2-CG 4.35Å; Y171-E175 PolarHBondContact O-N 3.08Å; Y173-E175 PolarHBondContact O-N 3.29Å; E175-I177 VanDerWaalsContact C-N 3.31Å; E175-I177 PolarHBondContact O-N 2.9Å; E175-K178 WeakPolarHBondContact O-CB 3.27Å; E175-K178 PolarHBondContact O-N 3.41Å; E175-K178 VanDerWaalsContact O-N 3.16Å; E175-K178 IonicContact OE1-NZ 2.7Å; E175-K178 PolarHBondContact OE1-NZ 3.24Å; E175-I179 WeakPolarHBondContact O-CG1 3.35Å; E175-I179 PolarHBondContact O-N 3.01Å
176S90.7Very high90.7Very high18 Ų1881.5 Ų81.513%0.12641%0.408CS..Hα-helixtrans-63.3-36.9176.9-61.40000112.5A172 Y173 G180A172-S176 WeakPolarHBondContact O-CB 3.09Å; A172-S176 PolarHBondContact O-N 2.95Å; A172-S176 PolarHBondContact O-OG 3.19Å; Y173-S176 PolarHBondContact O-N 3.32Å; S176-G180 PolarHBondContact O-N 3.2Å
177I90.8Very high90.9Very high34 Ų3482.4 Ų82.417%0.17442%0.42CS..Hα-helixtrans-66.3-40.7174.1-65.8-64.5000111.2Y173 S174 E175 G180 K181 A191Y173-I177 HydrophobicContact CD1-CG1 4.14Å; Y173-I177 HydrophobicContact CE1-CD1 4.25Å; Y173-I177 HydrophobicContact CE1-CG1 3.78Å; Y173-I177 HydrophobicContact CE2-CD1 4.37Å; Y173-I177 HydrophobicContact CE2-CG1 4.46Å; Y173-I177 WeakPolarHBondContact O-CG1 3.34Å; Y173-I177 PolarHBondContact O-N 3.45Å; S174-I177 PolarHBondContact O-N 3.07Å; E175-I177 VanDerWaalsContact C-N 3.31Å; E175-I177 PolarHBondContact O-N 2.9Å; I177-G180 PolarHBondContact O-N 3.43Å; I177-K181 HydrophobicContact CG2-CD 4.36Å; I177-K181 WeakPolarHBondContact O-CG 3.5Å; I177-K181 PolarHBondContact O-N 3.04Å; I177-A191 HydrophobicContact CD1-CB 4.33Å
178K91.8Very high91.1Very high115 Ų11584.5 Ų84.550%0.542%0.422SS..Hα-helixtrans-63.2-46.9176.2-68.5173.2-170.6169.70111.4S174 E175 K181 Y182S174-K178 WeakPolarHBondContact O-CG 3.24Å; S174-K178 PolarHBondContact O-N 2.83Å; S174-K178 VanDerWaalsContact O-N 3.12Å; E175-K178 WeakPolarHBondContact O-CB 3.27Å; E175-K178 PolarHBondContact O-N 3.41Å; E175-K178 VanDerWaalsContact O-N 3.16Å; E175-K178 IonicContact OE1-NZ 2.7Å; E175-K178 PolarHBondContact OE1-NZ 3.24Å; K178-K181 PolarHBondContact O-N 3.47Å; K178-Y182 WeakPolarHBondContact O-CB 3.26Å; K178-Y182 PolarHBondContact O-N 3.13Å
179I93.5Very high91.2Very high100 Ų10090.2 Ų90.251%0.51344%0.441SS..Hα-helixtrans-61.3-45.9176.4-65.8167.1000110.1E175 K181 Y182 I183E175-I179 WeakPolarHBondContact O-CG1 3.35Å; E175-I179 PolarHBondContact O-N 3.01Å; I179-K181 VanDerWaalsContact C-N 3.34Å; I179-K181 PolarHBondContact O-N 3.41Å; I179-Y182 WeakPolarHBondContact O-CB 3.41Å; I179-Y182 PolarHBondContact O-N 2.78Å; I179-Y182 VanDerWaalsContact O-N 3.1Å; I179-I183 WeakPolarHBondContact O-CG1 3.32Å; I179-I183 PolarHBondContact O-N 3.48Å
180G92.2Very high91.3Very high2 Ų287 Ų872%0.02143%0.428CS..Hα-helixtrans-57.3-44.6177.600000112.8S176 I177 I183 G184 L185S176-G180 PolarHBondContact O-N 3.2Å; I177-G180 PolarHBondContact O-N 3.43Å; G180-I183 WeakPolarHBondContact O-CG1 3.43Å; G180-I183 PolarHBondContact O-N 2.77Å; G180-G184 PolarHBondContact O-N 3.49Å; G180-L185 WeakPolarHBondContact O-CB 3.48Å; G180-L185 PolarHBondContact O-N 3.32Å
181K91.8Very high91.4Very high154 Ų15482.1 Ų82.167%0.6741%0.414SS*.Hα-helixtrans-63.2-41.7173.6-73.2177.6179.3-176.90112.5I177 K178 I179 I183 G184I177-K181 HydrophobicContact CG2-CD 4.36Å; I177-K181 WeakPolarHBondContact O-CG 3.5Å; I177-K181 PolarHBondContact O-N 3.04Å; K178-K181 PolarHBondContact O-N 3.47Å; I179-K181 VanDerWaalsContact C-N 3.34Å; I179-K181 PolarHBondContact O-N 3.41Å; K181-I183 VanDerWaalsContact C-N 3.34Å; K181-I183 PolarHBondContact O-N 3.26Å; K181-G184 PolarHBondContact O-N 3.3Å
182Y93.1Very high91.4Very high208 Ų20879.7 Ų79.782%0.81641%0.406SS*.Hα-helixtrans-62.5-39.3179.5179.7-97.3000112.5K178 I179 G184K178-Y182 WeakPolarHBondContact O-CB 3.26Å; K178-Y182 PolarHBondContact O-N 3.13Å; I179-Y182 WeakPolarHBondContact O-CB 3.41Å; I179-Y182 PolarHBondContact O-N 2.78Å; I179-Y182 VanDerWaalsContact O-N 3.1Å; Y182-G184 VanDerWaalsContact C-N 3.32Å
183I94.5Very high91.4Very high108 Ų10882.6 Ų82.655%0.55442%0.42SS*.THydrogen-bonded Turntrans-88.55.7178.469.3-179.5000113.7I179 G180 K181 L185I179-I183 WeakPolarHBondContact O-CG1 3.32Å; I179-I183 PolarHBondContact O-N 3.48Å; G180-I183 WeakPolarHBondContact O-CG1 3.43Å; G180-I183 PolarHBondContact O-N 2.77Å; K181-I183 VanDerWaalsContact C-N 3.34Å; K181-I183 PolarHBondContact O-N 3.26Å; I183-L185 HydrophobicContact CD1-CD1 3.74Å; I183-L185 HydrophobicContact CD1-CG 3.85Å; I183-L185 HydrophobicContact CG1-CD1 4.2Å; I183-L185 HydrophobicContact CG1-CG 3.87Å
184G92.6Very high91.5Very high68 Ų6879 Ų7970%0.70141%0.406SS*.THydrogen-bonded Turntrans74.122.7177.400000115.5G180 K181 Y182G180-G184 PolarHBondContact O-N 3.49Å; K181-G184 PolarHBondContact O-N 3.3Å; Y182-G184 VanDerWaalsContact C-N 3.32Å
185L92.2Very high91.5Very high59 Ų5977.3 Ų77.331%0.30940%0.398SS..  trans-66.4144.6171.3-76.6177.2000110.9G180 I183 W189 S190 I193G180-L185 WeakPolarHBondContact O-CB 3.48Å; G180-L185 PolarHBondContact O-N 3.32Å; I183-L185 HydrophobicContact CD1-CD1 3.74Å; I183-L185 HydrophobicContact CD1-CG 3.85Å; I183-L185 HydrophobicContact CG1-CD1 4.2Å; I183-L185 HydrophobicContact CG1-CG 3.87Å; L185-W189 HydrophobicContact CB-CB 4.49Å; L185-W189 HydrophobicContact CD2-CB 4.14Å; L185-S190 VanDerWaalsContact CB-OG 3.27Å; L185-S190 WeakPolarHBondContact CB-OG 3.41Å; L185-S190 PolarHBondContact O-OG 3.18Å; L185-I193 HydrophobicContact CD1-CD1 4Å
186S92.8Very high91.5Very high60 Ų6075.8 Ų75.842%0.4240%0.396SS..  trans-60.2158.2171.976.80000111.3F188 W189 S190S186-F188 PolarHBondContact O-N 3.13Å; S186-W189 PolarHBondContact O-N 3.35Å; S186-W189 PolarHBondContact OG-N 3.33Å; S186-S190 WeakPolarHBondContact O-CB 3.46Å; S186-S190 PolarHBondContact O-N 3.22Å; S186-S190 PolarHBondContact O-OG 2.96Å
187T90.3Very high91.6Very high128 Ų12879.2 Ų79.279%0.78541%0.412SS*.Hα-helixtrans-53.9-40.5176.3-530000111.6A191T187-A191 VanDerWaalsContact O-CB 3.3Å; T187-A191 WeakPolarHBondContact O-CB 3.4Å; T187-A191 PolarHBondContact O-N 3.09Å
188F89.3Confident91.6Very high133 Ų13377.6 Ų77.658%0.58340%0.403SS*.Hα-helixtrans-63-53.8177.3174.6-96.4000112.1S186 S190 A191 F192S186-F188 PolarHBondContact O-N 3.13Å; F188-S190 PolarHBondContact O-N 3.18Å; F188-A191 PolarHBondContact O-N 3.03Å; F188-F192 WeakPolarHBondContact O-CB 3.34Å; F188-F192 PolarHBondContact O-N 3.04Å
189W90.8Very high91.5Very high134 Ų13473 Ų7351%0.50839%0.389SS..Hα-helixtrans-68-35.9-176.9-73.6119.3000112.5L185 S186 F192 I193L185-W189 HydrophobicContact CB-CB 4.49Å; L185-W189 HydrophobicContact CD2-CB 4.14Å; S186-W189 PolarHBondContact O-N 3.35Å; S186-W189 PolarHBondContact OG-N 3.33Å; W189-F192 HydrophobicContact CE3-CD1 4.19Å; W189-F192 HydrophobicContact CZ3-CD1 4.11Å; W189-F192 HydrophobicContact CZ3-CE1 4.46Å; W189-F192 PolarHBondContact O-N 3.23Å; W189-I193 WeakPolarHBondContact O-CB 3.39Å; W189-I193 WeakPolarHBondContact O-CG1 3.48Å; W189-I193 PolarHBondContact O-N 3.29Å
190S91.6Very high91.5Very high5 Ų570.6 Ų70.64%0.03538%0.379CS..Hα-helixtrans-60.2-46.7172.7-61.20000111.2L185 S186 F188 G194L185-S190 VanDerWaalsContact CB-OG 3.27Å; L185-S190 WeakPolarHBondContact CB-OG 3.41Å; L185-S190 PolarHBondContact O-OG 3.18Å; S186-S190 WeakPolarHBondContact O-CB 3.46Å; S186-S190 PolarHBondContact O-N 3.22Å; S186-S190 PolarHBondContact O-OG 2.96Å; F188-S190 PolarHBondContact O-N 3.18Å; S190-G194 WeakPolarHBondContact O-CA 3.24Å; S190-G194 PolarHBondContact O-N 3.09Å
191A89.7Confident91.5Very high34 Ų3474 Ų7428%0.28140%0.396SS..Hα-helixtrans-67.7-40.317800000112.7I177 T187 F188 G195I177-A191 HydrophobicContact CD1-CB 4.33Å; T187-A191 VanDerWaalsContact O-CB 3.3Å; T187-A191 WeakPolarHBondContact O-CB 3.4Å; T187-A191 PolarHBondContact O-N 3.09Å; F188-A191 PolarHBondContact O-N 3.03Å; A191-G195 PolarHBondContact O-N 3.14Å
192F89.3Confident91.6Very high107 Ų10767.3 Ų67.347%0.46937%0.369SS..Hα-helixtrans-64.9-54.2179.2-178.1-93.5000111.9F188 W189 G195 A196F188-F192 WeakPolarHBondContact O-CB 3.34Å; F188-F192 PolarHBondContact O-N 3.04Å; W189-F192 HydrophobicContact CE3-CD1 4.19Å; W189-F192 HydrophobicContact CZ3-CD1 4.11Å; W189-F192 HydrophobicContact CZ3-CE1 4.46Å; W189-F192 PolarHBondContact O-N 3.23Å; F192-G195 PolarHBondContact O-N 3.15Å; F192-A196 PolarHBondContact O-N 3.13Å
193I91.5Very high91.5Very high71 Ų7159.9 Ų59.936%0.36434%0.339SS..Hα-helixtrans-65.2-44.4179.6-65.7171.3000110L185 W189 G195 A196 I197L185-I193 HydrophobicContact CD1-CD1 4Å; W189-I193 WeakPolarHBondContact O-CB 3.39Å; W189-I193 WeakPolarHBondContact O-CG1 3.48Å; W189-I193 PolarHBondContact O-N 3.29Å; I193-G195 VanDerWaalsContact C-N 3.32Å; I193-G195 PolarHBondContact O-N 3.38Å; I193-A196 PolarHBondContact O-N 3.19Å; I193-A196 VanDerWaalsContact O-N 3.17Å; I193-I197 HydrophobicContact CG2-CD1 3.68Å; I193-I197 HydrophobicContact CG2-CG1 4.28Å; I193-I197 WeakPolarHBondContact O-CG1 3.47Å; I193-I197 PolarHBondContact O-N 3.38Å
194G92.5Very high91.4Very high0 Ų056.8 Ų56.80%033%0.327CS..Hα-helixtrans-60.9-40.7177.200000112.7S190 S198S190-G194 WeakPolarHBondContact O-CA 3.24Å; S190-G194 PolarHBondContact O-N 3.09Å; G194-S198 WeakPolarHBondContact O-CB 3.14Å; G194-S198 PolarHBondContact O-N 3.18Å; G194-S198 PolarHBondContact O-OG 3.39Å
195G90.1Very high91.3Very high22 Ų2256.7 Ų56.723%0.22731%0.31CS..Hα-helixtrans-62.6-41.2173.100000113.1A191 F192 I193 S198 G199A191-G195 PolarHBondContact O-N 3.14Å; F192-G195 PolarHBondContact O-N 3.15Å; I193-G195 VanDerWaalsContact C-N 3.32Å; I193-G195 PolarHBondContact O-N 3.38Å; G195-S198 WeakPolarHBondContact CA-OG 3.31Å; G195-S198 PolarHBondContact O-OG 3.41Å; G195-S198 VanDerWaalsContact O-OG 3.09Å; G195-G199 PolarHBondContact O-N 2.84Å
196A90.5Very high91.3Very high31 Ų3154.2 Ų54.226%0.25630%0.298SS..Hα-helixtrans-67.7-46.1178.200000112.5F192 I193 T200 F252F192-A196 PolarHBondContact O-N 3.13Å; I193-A196 PolarHBondContact O-N 3.19Å; I193-A196 VanDerWaalsContact O-N 3.17Å; A196-T200 WeakPolarHBondContact O-CB 3.38Å; A196-T200 PolarHBondContact O-N 3.38Å; A196-T200 PolarHBondContact O-OG1 2.82Å; A196-F252 HydrophobicContact CB-CZ 4.37Å
197I91.9Very high91.3Very high90 Ų9051.4 Ų51.446%0.46228%0.278SS..Hα-helixtrans-64.6-50.6178.3-67.7173.5000110.2I193 G199 T200 L201I193-I197 HydrophobicContact CG2-CD1 3.68Å; I193-I197 HydrophobicContact CG2-CG1 4.28Å; I193-I197 WeakPolarHBondContact O-CG1 3.47Å; I193-I197 PolarHBondContact O-N 3.38Å; I197-G199 PolarHBondContact O-N 3.46Å; I197-T200 PolarHBondContact O-N 2.83Å; I197-L201 WeakPolarHBondContact O-CB 3.26Å; I197-L201 PolarHBondContact O-N 3.17Å
198S92.1Very high91.3Very high0 Ų046.9 Ų46.90%025%0.251CS..Hα-helixtrans-61.9-43.4179.356.10000112.5Y169 G194 G195 L201 S202Y169-S198 VanDerWaalsContact CE2-OG 3.23Å; Y169-S198 WeakPolarHBondContact CE2-OG 3.38Å; Y169-S198 VanDerWaalsContact O-CB 3.26Å; Y169-S198 WeakPolarHBondContact O-CB 3.41Å; G194-S198 WeakPolarHBondContact O-CB 3.14Å; G194-S198 PolarHBondContact O-N 3.18Å; G194-S198 PolarHBondContact O-OG 3.39Å; G195-S198 WeakPolarHBondContact CA-OG 3.31Å; G195-S198 PolarHBondContact O-OG 3.41Å; G195-S198 VanDerWaalsContact O-OG 3.09Å; S198-L201 PolarHBondContact O-N 2.94Å; S198-S202 WeakPolarHBondContact O-CB 3.34Å; S198-S202 PolarHBondContact O-N 3.01Å
199G90.1Very high91.4Very high19 Ų1943.6 Ų43.620%0.19624%0.236CC..Hα-helixtrans-60.9-44.8175.300000112.2G195 I197 W203G195-G199 PolarHBondContact O-N 2.84Å; I197-G199 PolarHBondContact O-N 3.46Å; G199-W203 VanDerWaalsContact O-CD1 3.24Å; G199-W203 PolarHBondContact O-N 2.9Å; G199-W203 VanDerWaalsContact O-N 3.08Å
200T92.8Very high91.4Very high49 Ų4937.2 Ų37.230%0.30121%0.212SC..Hα-helixtrans-64-46.9177.9-56.10000111.2A196 I197 W203 C204 F244 I248A196-T200 WeakPolarHBondContact O-CB 3.38Å; A196-T200 PolarHBondContact O-N 3.38Å; A196-T200 PolarHBondContact O-OG1 2.82Å; I197-T200 PolarHBondContact O-N 2.83Å; T200-W203 PolarHBondContact O-N 2.78Å; T200-C204 PolarHBondContact O-N 2.9Å; T200-C204 PolarHBondContact O-SG 3.29Å; T200-F244 HydrophobicContact CG2-CZ 3.96Å; T200-I248 HydrophobicContact CG2-CD1 4.16Å
201L92.5Very high91.4Very high74 Ų7437 Ų3739%0.38721%0.211SC..Hα-helixtrans-63.1-44.2178.9-176.966.2000112.1A172 I197 S198 W203 C204 I205A172-L201 HydrophobicContact CB-CD2 3.72Å; I197-L201 WeakPolarHBondContact O-CB 3.26Å; I197-L201 PolarHBondContact O-N 3.17Å; S198-L201 PolarHBondContact O-N 2.94Å; L201-W203 VanDerWaalsContact C-N 3.28Å; L201-W203 PolarHBondContact O-N 3.49Å; L201-C204 WeakPolarHBondContact O-CB 3.15Å; L201-C204 PolarHBondContact O-N 2.9Å; L201-C204 VanDerWaalsContact O-N 3.15Å; L201-I205 HydrophobicContact CG-CD1 4.46Å; L201-I205 PolarHBondContact O-N 3.02Å; L201-I205 VanDerWaalsContact O-N 3.14Å
202S92.6Very high91.4Very high14 Ų1436 Ų3610%0.09820%0.201CC..Hα-helixtrans-55.4-45.4175.8-179.50000111.4G165 S198 I205 S206G165-S202 WeakPolarHBondContact CA-OG 3.44Å; G165-S202 WeakPolarHBondContact O-CB 3.42Å; G165-S202 PolarHBondContact O-OG 2.84Å; S198-S202 WeakPolarHBondContact O-CB 3.34Å; S198-S202 PolarHBondContact O-N 3.01Å; S202-I205 PolarHBondContact O-N 3.39Å; S202-S206 VanDerWaalsContact O-CB 3.29Å; S202-S206 WeakPolarHBondContact O-CB 3.28Å; S202-S206 PolarHBondContact O-N 3.09Å; S202-S206 PolarHBondContact O-OG 2.85Å
203W91.8Very high91.5Very high51 Ų5131 Ų3119%0.19318%0.178CC..Hα-helixtrans-69.5-38.7175.9-80.8112.8000112.8G199 T200 L201 I205 S206 M207 F244 V247 I248G199-W203 VanDerWaalsContact O-CD1 3.24Å; G199-W203 PolarHBondContact O-N 2.9Å; G199-W203 VanDerWaalsContact O-N 3.08Å; T200-W203 PolarHBondContact O-N 2.78Å; L201-W203 VanDerWaalsContact C-N 3.28Å; L201-W203 PolarHBondContact O-N 3.49Å; W203-I205 PolarHBondContact O-N 3.29Å; W203-S206 PolarHBondContact O-N 3.32Å; W203-S206 VanDerWaalsContact O-N 3.09Å; W203-M207 HydrophobicContact CE3-SD 4.19Å; W203-M207 VanDerWaalsContact O-CB 3.31Å; W203-M207 WeakPolarHBondContact O-CB 3.43Å; W203-M207 WeakPolarHBondContact O-CG 3.44Å; W203-M207 PolarHBondContact O-N 2.77Å; W203-F244 HydrophobicContact CB-CE2 4.08Å; W203-V247 HydrophobicContact CB-CG1 4.33Å; W203-V247 HydrophobicContact CD2-CG1 3.17Å; W203-V247 HydrophobicContact CE3-CG1 3.49Å; W203-V247 VanDerWaalsContact CE3-CG1 3.49Å; W203-V247 HydrophobicContact CG-CG1 3.55Å; W203-V247 HydrophobicContact CH2-CG1 3.97Å; W203-V247 HydrophobicContact CZ2-CG1 3.71Å; W203-V247 HydrophobicContact CZ3-CG1 3.86Å; W203-I248 HydrophobicContact CB-CD1 4.3Å
204C92.3Very high91.4Very high44 Ų4427.6 Ų27.630%0.29716%0.161SC..Hα-helixtrans-53.5-38.8174.1-72.40000112.4T200 L201 F241 F244T200-C204 PolarHBondContact O-N 2.9Å; T200-C204 PolarHBondContact O-SG 3.29Å; L201-C204 WeakPolarHBondContact O-CB 3.15Å; L201-C204 PolarHBondContact O-N 2.9Å; L201-C204 VanDerWaalsContact O-N 3.15Å; C204-F241 WeakPolarHBondContact O-CE1 3.49Å; C204-F244 VanDerWaalsContact SG-CZ 3.52Å
205I91.4Very high91.3Very high65 Ų6528.8 Ų28.833%0.33317%0.165SC..Hα-helixtrans-78.3-38.5177.4-65.9169.7000111.6P164 A168 L201 S202 W203 P208 F209P164-I205 HydrophobicContact CB-CG2 3.89Å; A168-I205 HydrophobicContact CB-CD1 3.35Å; L201-I205 HydrophobicContact CG-CD1 4.46Å; L201-I205 PolarHBondContact O-N 3.02Å; L201-I205 VanDerWaalsContact O-N 3.14Å; S202-I205 PolarHBondContact O-N 3.39Å; W203-I205 PolarHBondContact O-N 3.29Å; I205-P208 WeakPolarHBondContact O-CD 3.43Å; I205-F209 WeakPolarHBondContact O-CD2 3.46Å
206S92.1Very high91.2Very high8 Ų828.7 Ų28.76%0.05616%0.159CC..Hα-helixtrans-78.1-24.6-176-57.60000113.5G165 S202 W203 F209 D210G165-S206 WeakPolarHBondContact CA-OG 3.46Å; S202-S206 VanDerWaalsContact O-CB 3.29Å; S202-S206 WeakPolarHBondContact O-CB 3.28Å; S202-S206 PolarHBondContact O-N 3.09Å; S202-S206 PolarHBondContact O-OG 2.85Å; W203-S206 PolarHBondContact O-N 3.32Å; W203-S206 VanDerWaalsContact O-N 3.09Å; S206-F209 PolarHBondContact O-N 2.77Å; S206-D210 PolarHBondContact O-N 3.46Å
207M91.5Very high91.1Very high0 Ų027.2 Ų27.20%015%0.147CC..Hα-helixtrans-56.8-48.7-173.4-87.5-49-66.800113.8W203 F209 D210 V211 F240 F241 R242 F244 V247W203-M207 HydrophobicContact CE3-SD 4.19Å; W203-M207 VanDerWaalsContact O-CB 3.31Å; W203-M207 WeakPolarHBondContact O-CB 3.43Å; W203-M207 WeakPolarHBondContact O-CG 3.44Å; W203-M207 PolarHBondContact O-N 2.77Å; M207-F209 VanDerWaalsContact C-N 3.27Å; M207-F209 PolarHBondContact O-N 3.32Å; M207-D210 PolarHBondContact O-N 3.42Å; M207-D210 VanDerWaalsContact O-N 3.09Å; M207-V211 HydrophobicContact CE-CG2 4.26Å; M207-V211 WeakPolarHBondContact O-CG2 3.42Å; M207-V211 PolarHBondContact O-N 3.01Å; M207-F240 CarbonylContact C-O 3.58Å; M207-F241 HydrophobicContact CB-CD1 4.08Å; M207-F241 HydrophobicContact CB-CE1 4.3Å; M207-F241 HydrophobicContact CG-CD1 4.32Å; M207-R242 WeakPolarHBondContact CE-O 3.24Å; M207-F244 HydrophobicContact CE-CB 4.18Å; M207-F244 HydrophobicContact CG-CB 4.39Å; M207-F244 HydrophobicContact CG-CD2 3.52Å; M207-F244 HydrophobicContact CG-CE2 4.28Å; M207-F244 HydrophobicContact CG-CG 4.41Å; M207-F244 HydrophobicContact SD-CB 4.49Å; M207-F244 HydrophobicContact SD-CD2 4.17Å; M207-V247 HydrophobicContact SD-CB 4.43Å; M207-V247 HydrophobicContact SD-CG2 4.04Å
208P91.2Very high90.8Very high34 Ų3424.2 Ų24.222%0.22114%0.136CC..Hα-helixtrans-55.6-42.7177.4-26.434.7000112.6I205 V211 I212 F240I205-P208 WeakPolarHBondContact O-CD 3.43Å; P208-V211 PolarHBondContact O-N 3.49Å; P208-I212 WeakPolarHBondContact O-CD1 3.4Å; P208-I212 VanDerWaalsContact O-CG1 3.24Å; P208-I212 WeakPolarHBondContact O-CG1 3.15Å; P208-I212 PolarHBondContact O-N 3.16Å; P208-I212 VanDerWaalsContact O-N 3.09Å; P208-F240 HydrophobicContact CB-CB 4.14Å; P208-F240 HydrophobicContact CB-CD1 3.98Å; P208-F240 HydrophobicContact CB-CG 4.41Å; P208-F240 HydrophobicContact CG-CB 4.21Å
209F91.3Very high89.8Confident64 Ų6424.8 Ų24.828%0.28114%0.141SC..Hα-helixtrans-67.7-39.8176.7-58.9-79.7000111.8I157 F160 R161 I205 S206 M207 I212 K213I157-F209 HydrophobicContact CG2-CB 4.16Å; I157-F209 VanDerWaalsContact CG2-O 3.26Å; I157-F209 WeakPolarHBondContact CG2-O 3.32Å; F160-F209 HydrophobicContact CB-CD1 4.29Å; F160-F209 HydrophobicContact CB-CE1 4.26Å; R161-F209 HydrophobicContact CB-CB 3.74Å; R161-F209 HydrophobicContact CB-CG 4.5Å; R161-F209 HydrophobicContact CG-CB 4.02Å; I205-F209 WeakPolarHBondContact O-CD2 3.46Å; S206-F209 PolarHBondContact O-N 2.77Å; M207-F209 VanDerWaalsContact C-N 3.27Å; M207-F209 PolarHBondContact O-N 3.32Å; F209-I212 PolarHBondContact O-N 2.96Å; F209-K213 VanDerWaalsContact O-CB 3.24Å; F209-K213 WeakPolarHBondContact O-CB 3.06Å; F209-K213 PolarHBondContact O-N 3.3Å
210D91.5Very high88.5Confident0 Ų031.1 Ų31.10%017%0.171CC..Hα-helixtrans-63.4-42.1177-160.166.8000111.6K30 Q34 R161 S206 M207 K213 T214K30-D210 IonicContact NZ-OD1 3.22Å; K30-D210 IonicContact NZ-OD2 3.86Å; K30-D210 PolarHBondContact NZ-OD2 3.23Å; Q34-D210 PolarHBondContact NE2-OD2 3.05Å; Q34-D210 VanDerWaalsContact NE2-OD2 3.16Å; Q34-D210 PolarHBondContact OE1-OD2 3.38Å; R161-D210 IonicContact CZ-OD1 3.99Å; R161-D210 IonicContact NH1-OD1 2.95Å; R161-D210 PolarHBondContact NH1-OD1 2.95Å; S206-D210 PolarHBondContact O-N 3.46Å; M207-D210 PolarHBondContact O-N 3.42Å; M207-D210 VanDerWaalsContact O-N 3.09Å; D210-K213 PolarHBondContact O-N 3.05Å; D210-T214 WeakPolarHBondContact O-CB 3.34Å; D210-T214 PolarHBondContact O-N 2.87Å; D210-T214 PolarHBondContact O-OG1 2.91Å
211V91.1Very high87Confident0 Ų030.9 Ų30.90%018%0.178CC..Hα-helixtrans-63.3-46.6175.7173.20000111.3Q34 M207 P208 K213 T214 R215 L231 F240Q34-V211 HydrophobicContact CG-CG2 4.13Å; M207-V211 HydrophobicContact CE-CG2 4.26Å; M207-V211 WeakPolarHBondContact O-CG2 3.42Å; M207-V211 PolarHBondContact O-N 3.01Å; P208-V211 PolarHBondContact O-N 3.49Å; V211-K213 VanDerWaalsContact C-N 3.34Å; V211-K213 PolarHBondContact O-N 2.93Å; V211-T214 PolarHBondContact O-N 3.46Å; V211-R215 PolarHBondContact O-N 3.35Å; V211-L231 HydrophobicContact CG1-CD2 4.44Å; V211-F240 WeakPolarHBondContact CG2-O 3.21Å
212I90.4Very high85.9Confident14 Ų1429.9 Ų29.97%0.07217%0.172CC..Hα-helixtrans-60.8-46.4177.6-67.2163.2000110I157 P208 F209 R215 Q216 V227 L228 L231 F240I157-I212 HydrophobicContact CD1-CG2 4.38Å; I157-I212 HydrophobicContact CG1-CG2 4.3Å; I157-I212 HydrophobicContact CG2-CB 4.44Å; I157-I212 HydrophobicContact CG2-CG2 4.31Å; P208-I212 WeakPolarHBondContact O-CD1 3.4Å; P208-I212 VanDerWaalsContact O-CG1 3.24Å; P208-I212 WeakPolarHBondContact O-CG1 3.15Å; P208-I212 PolarHBondContact O-N 3.16Å; P208-I212 VanDerWaalsContact O-N 3.09Å; F209-I212 PolarHBondContact O-N 2.96Å; I212-R215 PolarHBondContact O-N 2.85Å; I212-Q216 WeakPolarHBondContact O-CB 3.41Å; I212-Q216 PolarHBondContact O-N 3.01Å; I212-V227 HydrophobicContact CB-CG1 4.37Å; I212-V227 HydrophobicContact CG1-CG1 4.36Å; I212-V227 HydrophobicContact CG2-CG1 4.1Å; I212-L228 HydrophobicContact CD1-CD2 3.71Å; I212-L228 HydrophobicContact CG1-CD2 4.3Å; I212-L231 HydrophobicContact CG1-CD1 3.87Å; I212-F240 HydrophobicContact CD1-CE1 4.24Å; I212-F240 HydrophobicContact CG1-CE1 4.35Å
213K90.1Very high85.2Confident0 Ų033 Ų330%019%0.191CC..Hα-helixtrans-60.8-50.1179-164.8-16678.9-178.80111.6E115 I157 Q158 F209 D210 V211 R215 Q216 Q217E115-K213 IonicContact OE1-NZ 2.62Å; E115-K213 PolarHBondContact OE1-NZ 3.42Å; E115-K213 IonicContact OE2-NZ 2.7Å; E115-K213 PolarHBondContact OE2-NZ 3.32Å; I157-K213 HydrophobicContact CB-CB 4.38Å; I157-K213 HydrophobicContact CG2-CB 3.78Å; I157-K213 HydrophobicContact CG2-CG 4.39Å; Q158-K213 HydrophobicContact CB-CD 3.95Å; Q158-K213 HydrophobicContact CG-CD 4.39Å; F209-K213 VanDerWaalsContact O-CB 3.24Å; F209-K213 WeakPolarHBondContact O-CB 3.06Å; F209-K213 PolarHBondContact O-N 3.3Å; D210-K213 PolarHBondContact O-N 3.05Å; V211-K213 VanDerWaalsContact C-N 3.34Å; V211-K213 PolarHBondContact O-N 2.93Å; K213-R215 VanDerWaalsContact C-N 3.32Å; K213-R215 PolarHBondContact O-N 3.32Å; K213-Q216 PolarHBondContact O-N 2.95Å; K213-Q216 VanDerWaalsContact O-N 3.17Å; K213-Q217 VanDerWaalsContact CE-OE1 3.28Å; K213-Q217 HydrophobicContact CG-CG 4.23Å; K213-Q217 WeakPolarHBondContact O-CB 3.15Å; K213-Q217 WeakPolarHBondContact O-CG 3.13Å; K213-Q217 PolarHBondContact O-N 2.95Å
214T90.7Very high84.8Confident0 Ų032.9 Ų32.90%019%0.194CC..Hα-helixtrans-60.3-43.1-179.1-63.90000110.8V31 Q34 I119 D210 V211 Q217 A218V31-T214 HydrophobicContact CB-CG2 4.48Å; V31-T214 HydrophobicContact CG1-CG2 4.22Å; V31-T214 HydrophobicContact CG2-CG2 4.25Å; Q34-T214 HydrophobicContact CB-CG2 3.77Å; Q34-T214 VanDerWaalsContact OE1-CB 3.29Å; Q34-T214 PolarHBondContact OE1-OG1 3.41Å; I119-T214 HydrophobicContact CG2-CG2 4.19Å; D210-T214 WeakPolarHBondContact O-CB 3.34Å; D210-T214 PolarHBondContact O-N 2.87Å; D210-T214 PolarHBondContact O-OG1 2.91Å; V211-T214 PolarHBondContact O-N 3.46Å; T214-Q217 PolarHBondContact O-N 3.24Å; T214-A218 WeakPolarHBondContact O-CB 3.22Å; T214-A218 PolarHBondContact O-N 2.71Å
215R88.9Confident84.3Confident25 Ų2534.1 Ų34.19%0.09420%0.203CC..Hα-helixtrans-65-39.5175.7-74.3-171.6170.2-157.9-5.1112.7Q34 S36 V211 I212 K213 V227 E234Q34-R215 WeakPolarHBondContact O-CG 3.41Å; Q34-R215 PolarHBondContact O-NE 3.46Å; S36-R215 PolarHBondContact O-NH2 3.31Å; V211-R215 PolarHBondContact O-N 3.35Å; I212-R215 PolarHBondContact O-N 2.85Å; K213-R215 VanDerWaalsContact C-N 3.32Å; K213-R215 PolarHBondContact O-N 3.32Å; R215-V227 HydrophobicContact CB-CG1 3.93Å; R215-V227 HydrophobicContact CB-CG2 4.36Å; R215-E234 IonicContact CZ-OE1 2.77Å; R215-E234 IonicContact NH1-OE1 3.63Å; R215-E234 PolarHBondContact NH1-OE1 2.86Å; R215-E234 IonicContact NH2-OE1 3.49Å; R215-E234 PolarHBondContact NH2-OE1 3.26Å
216Q87.5Confident84Confident21 Ų2135 Ų3510%0.09821%0.208CC..Hα-helixtrans-67-37.8176.2179.9175.54.200112.6S153 I212 K213 V227S153-Q216 WeakPolarHBondContact OG-CG 3.4Å; I212-Q216 WeakPolarHBondContact O-CB 3.41Å; I212-Q216 PolarHBondContact O-N 3.01Å; K213-Q216 PolarHBondContact O-N 2.95Å; K213-Q216 VanDerWaalsContact O-N 3.17Å; Q216-V227 HydrophobicContact CB-CG2 4.32Å
217Q89.2Confident83.6Confident0 Ų034.9 Ų34.90%021%0.207CC..Hα-helixtrans-83.6-26.3-178.1-69.2-176.7-19.500113V116 I119 R120 S153 K213 T214 G219V116-Q217 HydrophobicContact CG2-CB 4.46Å; V116-Q217 HydrophobicContact CG2-CG 3.95Å; I119-Q217 HydrophobicContact CB-CB 4.41Å; I119-Q217 HydrophobicContact CD1-CB 4.16Å; I119-Q217 HydrophobicContact CG2-CB 4.22Å; R120-Q217 VanDerWaalsContact CG-O 3.28Å; R120-Q217 WeakPolarHBondContact CG-O 3.4Å; R120-Q217 PolarHBondContact NE-O 3.47Å; S153-Q217 WeakPolarHBondContact O-CG 3.42Å; S153-Q217 PolarHBondContact O-NE2 2.98Å; K213-Q217 VanDerWaalsContact CE-OE1 3.28Å; K213-Q217 HydrophobicContact CG-CG 4.23Å; K213-Q217 WeakPolarHBondContact O-CB 3.15Å; K213-Q217 WeakPolarHBondContact O-CG 3.13Å; K213-Q217 PolarHBondContact O-N 2.95Å; T214-Q217 PolarHBondContact O-N 3.24Å; Q217-G219 VanDerWaalsContact C-N 3.26Å; Q217-G219 PolarHBondContact O-N 3.25Å
218A85.3Confident83.3Confident27 Ų2737.8 Ų37.822%0.22322%0.222CC..Hα-helixtrans-57.6-32.8177.300000113.4I119 C123 T214I119-A218 HydrophobicContact CG2-CB 4.46Å; C123-A218 WeakPolarHBondContact SG-CB 3.49Å; T214-A218 WeakPolarHBondContact O-CB 3.22Å; T214-A218 PolarHBondContact O-N 2.71Å
219G71.8Confident83.1Confident11 Ų1140.1 Ų40.111%0.11323%0.233CC..SBendtrans156.1-175.4173.700000116.4Q217 G221 I222Q217-G219 VanDerWaalsContact C-N 3.26Å; Q217-G219 PolarHBondContact O-N 3.25Å; G219-G221 PolarHBondContact O-N 3.09Å; G219-I222 WeakPolarHBondContact O-CD1 3.2Å; G219-I222 WeakPolarHBondContact O-CG1 3.4Å
220N63.4Low82.7Confident152 Ų15240.5 Ų40.581%0.81324%0.24SC*.THydrogen-bonded Turntrans64.720.5171.7-60.8-14.3000119.1I222N220-I222 HydrophobicContact CB-CD1 4.06Å; N220-I222 HydrophobicContact CB-CG1 3.76Å; N220-I222 PolarHBondContact O-N 3.04Å
221G59.5Low82.2Confident44 Ų4440.6 Ų40.645%0.45424%0.241SC..THydrogen-bonded Turntrans58.325.4175.900000112.1G219 T223G219-G221 PolarHBondContact O-N 3.09Å; G221-T223 PolarHBondContact O-N 2.82Å; G221-T223 VanDerWaalsContact O-N 3.12Å
222I69.4Low81.9Confident53 Ų5345.7 Ų45.727%0.27227%0.268SS..  trans-68.7114-173.2-55.7173.8000107.1G219 N220 N226 V227G219-I222 WeakPolarHBondContact O-CD1 3.2Å; G219-I222 WeakPolarHBondContact O-CG1 3.4Å; N220-I222 HydrophobicContact CB-CD1 4.06Å; N220-I222 HydrophobicContact CB-CG1 3.76Å; N220-I222 PolarHBondContact O-N 3.04Å; I222-N226 HydrophobicContact CG2-CB 3.53Å; I222-V227 HydrophobicContact CB-CG2 4.23Å; I222-V227 HydrophobicContact CG2-CB 4.48Å; I222-V227 HydrophobicContact CG2-CG2 3.47Å; I222-V227 VanDerWaalsContact CG2-CG2 3.47Å
223T78.9Confident81.6Confident79 Ų7953.1 Ų53.149%0.48530%0.3SS..  trans-64.1152.4174.3-48.30000110.1G221 S225 N226 V227G221-T223 PolarHBondContact O-N 2.82Å; G221-T223 VanDerWaalsContact O-N 3.12Å; T223-S225 PolarHBondContact O-N 2.91Å; T223-S225 VanDerWaalsContact O-N 3.14Å; T223-N226 WeakPolarHBondContact O-CA 3.27Å; T223-N226 WeakPolarHBondContact O-CB 3.45Å; T223-N226 PolarHBondContact O-N 3.36Å; T223-V227 PolarHBondContact O-N 3.44Å
224I82.7Confident81.1Confident50 Ų5056.4 Ų56.426%0.25632%0.315SS..Hα-helixtrans-49-43175.2-65.6160.7000110.9I157 N226 V227 L228I157-I224 HydrophobicContact CD1-CD1 3.71Å; I157-I224 HydrophobicContact CD1-CG1 4.05Å; I157-I224 HydrophobicContact CD1-CG2 4.32Å; I157-I224 HydrophobicContact CG1-CD1 3.89Å; I157-I224 HydrophobicContact CG1-CG1 4.05Å; I224-N226 VanDerWaalsContact C-N 3.32Å; I224-N226 PolarHBondContact O-N 3.14Å; I224-V227 PolarHBondContact O-N 3.19Å; I224-L228 HydrophobicContact CG2-CD1 3.91Å; I224-L228 HydrophobicContact CG2-CG 4.32Å; I224-L228 WeakPolarHBondContact O-CG 3.24Å; I224-L228 PolarHBondContact O-N 3.15Å
225S82.5Confident80.5Confident70 Ų7065.7 Ų65.749%0.4936%0.355SS..Hα-helixtrans-59-39.9176.4-44.60000112.9T223 L228 N229T223-S225 PolarHBondContact O-N 2.91Å; T223-S225 VanDerWaalsContact O-N 3.14Å; S225-L228 PolarHBondContact O-N 3.03Å; S225-N229 VanDerWaalsContact O-CB 3.22Å; S225-N229 WeakPolarHBondContact O-CB 3.43Å; S225-N229 PolarHBondContact O-N 2.86Å; S225-N229 PolarHBondContact O-ND2 3.49Å; S225-N229 VanDerWaalsContact O-ND2 3.15Å
226N84.4Confident80.2Confident84 Ų8466.9 Ų66.945%0.44937%0.367SS..Hα-helixtrans-71.8-36.1177.9-71.5-9.4000112I222 T223 I224 T230I222-N226 HydrophobicContact CG2-CB 3.53Å; T223-N226 WeakPolarHBondContact O-CA 3.27Å; T223-N226 WeakPolarHBondContact O-CB 3.45Å; T223-N226 PolarHBondContact O-N 3.36Å; I224-N226 VanDerWaalsContact C-N 3.32Å; I224-N226 PolarHBondContact O-N 3.14Å; N226-T230 WeakPolarHBondContact O-CB 3.46Å; N226-T230 PolarHBondContact O-N 3.02Å; N226-T230 PolarHBondContact O-OG1 3.12Å
227V84.3Confident80.1Confident4 Ų475 Ų752%0.02440%0.399CS..Hα-helixtrans-62-52.2172.2179.30000109.4I212 R215 Q216 I222 T223 I224 N229 T230 L231I212-V227 HydrophobicContact CB-CG1 4.37Å; I212-V227 HydrophobicContact CG1-CG1 4.36Å; I212-V227 HydrophobicContact CG2-CG1 4.1Å; R215-V227 HydrophobicContact CB-CG1 3.93Å; R215-V227 HydrophobicContact CB-CG2 4.36Å; Q216-V227 HydrophobicContact CB-CG2 4.32Å; I222-V227 HydrophobicContact CB-CG2 4.23Å; I222-V227 HydrophobicContact CG2-CB 4.48Å; I222-V227 HydrophobicContact CG2-CG2 3.47Å; I222-V227 VanDerWaalsContact CG2-CG2 3.47Å; T223-V227 PolarHBondContact O-N 3.44Å; I224-V227 PolarHBondContact O-N 3.19Å; V227-N229 PolarHBondContact O-N 3.09Å; V227-T230 PolarHBondContact O-N 3.41Å; V227-L231 HydrophobicContact CG1-CD1 3.7Å; V227-L231 HydrophobicContact CG1-CG 4.23Å; V227-L231 WeakPolarHBondContact O-CB 3.4Å; V227-L231 WeakPolarHBondContact O-CG 3.4Å; V227-L231 PolarHBondContact O-N 3.04Å
228L85.4Confident80Confident61 Ų6185.1 Ų85.132%0.31944%0.436SS..Hα-helixtrans-59.8-46.2179.2-71.4173.9000112I212 I224 S225 T230 L231 L232I212-L228 HydrophobicContact CD1-CD2 3.71Å; I212-L228 HydrophobicContact CG1-CD2 4.3Å; I224-L228 HydrophobicContact CG2-CD1 3.91Å; I224-L228 HydrophobicContact CG2-CG 4.32Å; I224-L228 WeakPolarHBondContact O-CG 3.24Å; I224-L228 PolarHBondContact O-N 3.15Å; S225-L228 PolarHBondContact O-N 3.03Å; L228-T230 VanDerWaalsContact C-N 3.32Å; L228-T230 PolarHBondContact O-N 3Å; L228-L231 PolarHBondContact O-N 3.18Å; L228-L232 WeakPolarHBondContact O-CB 3.48Å; L228-L232 VanDerWaalsContact O-CG 3.23Å; L228-L232 WeakPolarHBondContact O-CG 3.38Å; L228-L232 PolarHBondContact O-N 2.87Å
229N86.1Confident80Confident83 Ų8383.9 Ų83.944%0.44443%0.426SS..Hα-helixtrans-60.6-41.7177.6-74-22.9000111.7S225 V227 K233S225-N229 VanDerWaalsContact O-CB 3.22Å; S225-N229 WeakPolarHBondContact O-CB 3.43Å; S225-N229 PolarHBondContact O-N 2.86Å; S225-N229 PolarHBondContact O-ND2 3.49Å; S225-N229 VanDerWaalsContact O-ND2 3.15Å; V227-N229 PolarHBondContact O-N 3.09Å; N229-K233 WeakPolarHBondContact O-CB 3.38Å; N229-K233 WeakPolarHBondContact O-CG 3.33Å; N229-K233 PolarHBondContact O-N 3.17Å
230T82.7Confident80.8Confident72 Ų7284.8 Ų84.844%0.44243%0.427SS..Hα-helixtrans-65-43.5175.9-56.70000111.2N226 V227 L228 K233 E234N226-T230 WeakPolarHBondContact O-CB 3.46Å; N226-T230 PolarHBondContact O-N 3.02Å; N226-T230 PolarHBondContact O-OG1 3.12Å; V227-T230 PolarHBondContact O-N 3.41Å; L228-T230 VanDerWaalsContact C-N 3.32Å; L228-T230 PolarHBondContact O-N 3Å; T230-K233 PolarHBondContact O-N 2.86Å; T230-E234 PolarHBondContact O-N 3.45Å
231L82.8Confident82.2Confident2 Ų281.9 Ų81.91%0.0141%0.408CS..Hα-helixtrans-65.2-42.4178.6-68.7173000112.4V211 I212 V227 L228 K233 E234 I239 F240V211-L231 HydrophobicContact CG1-CD2 4.44Å; I212-L231 HydrophobicContact CG1-CD1 3.87Å; V227-L231 HydrophobicContact CG1-CD1 3.7Å; V227-L231 HydrophobicContact CG1-CG 4.23Å; V227-L231 WeakPolarHBondContact O-CB 3.4Å; V227-L231 WeakPolarHBondContact O-CG 3.4Å; V227-L231 PolarHBondContact O-N 3.04Å; L228-L231 PolarHBondContact O-N 3.18Å; L231-K233 VanDerWaalsContact C-N 3.35Å; L231-E234 PolarHBondContact O-N 3.33Å; L231-I239 HydrophobicContact CB-CG2 4.44Å; L231-I239 HydrophobicContact CD2-CB 4.32Å; L231-I239 HydrophobicContact CD2-CD1 3.32Å; L231-I239 HydrophobicContact CD2-CG1 3.49Å; L231-I239 VanDerWaalsContact CD2-CG1 3.49Å; L231-I239 HydrophobicContact CD2-CG2 3.84Å; L231-F240 HydrophobicContact CB-CE1 4.3Å; L231-F240 HydrophobicContact CB-CE2 4.45Å; L231-F240 HydrophobicContact CB-CZ 3.83Å; L231-F240 HydrophobicContact CD1-CD1 4.24Å; L231-F240 HydrophobicContact CD1-CE1 3.55Å; L231-F240 HydrophobicContact CD1-CZ 3.98Å; L231-F240 HydrophobicContact CG-CE1 4.46Å; L231-F240 HydrophobicContact CG-CZ 4.47Å
232L83.6Confident83.7Confident107 Ų10781 Ų8156%0.5639%0.391SS*.Hα-helixtrans-69.6-32.8178.8-69172.3000111.9L228 E234 K235L228-L232 WeakPolarHBondContact O-CB 3.48Å; L228-L232 VanDerWaalsContact O-CG 3.23Å; L228-L232 WeakPolarHBondContact O-CG 3.38Å; L228-L232 PolarHBondContact O-N 2.87Å; L232-E234 VanDerWaalsContact C-N 3.27Å; L232-E234 PolarHBondContact O-N 2.93Å; L232-K235 PolarHBondContact O-N 3.04Å; L232-K235 VanDerWaalsContact O-N 3.07Å
233K84.9Confident84.8Confident171 Ų17179 Ų7974%0.74338%0.383SS*.Hα-helixtrans-64.1-29.1173.2-79.8175-177.9-174.90113.2N229 T230 L231 K235N229-K233 WeakPolarHBondContact O-CB 3.38Å; N229-K233 WeakPolarHBondContact O-CG 3.33Å; N229-K233 PolarHBondContact O-N 3.17Å; T230-K233 PolarHBondContact O-N 2.86Å; L231-K233 VanDerWaalsContact C-N 3.35Å; K233-K235 PolarHBondContact O-N 3.02Å
234E80Confident85.5Confident68 Ų6877.3 Ų77.332%0.31837%0.369SS..THydrogen-bonded Turntrans-68-9.7173.9-68.5-170.2-133.100112.6R215 T230 L231 L232 S236 I239 R242R215-E234 IonicContact CZ-OE1 2.77Å; R215-E234 IonicContact NH1-OE1 3.63Å; R215-E234 PolarHBondContact NH1-OE1 2.86Å; R215-E234 IonicContact NH2-OE1 3.49Å; R215-E234 PolarHBondContact NH2-OE1 3.26Å; T230-E234 PolarHBondContact O-N 3.45Å; L231-E234 PolarHBondContact O-N 3.33Å; L232-E234 VanDerWaalsContact C-N 3.27Å; L232-E234 PolarHBondContact O-N 2.93Å; E234-S236 PolarHBondContact O-N 2.99Å; E234-I239 HydrophobicContact CB-CD1 4.41Å; E234-I239 HydrophobicContact CG-CD1 4.21Å; E234-I239 WeakPolarHBondContact OE1-CD1 3.32Å; E234-I239 WeakPolarHBondContact OE2-CD1 3.44Å; E234-R242 IonicContact OE2-CZ 3.88Å; E234-R242 IonicContact OE2-NH2 2.97Å; E234-R242 PolarHBondContact OE2-NH2 3.36Å
235K76.6Confident86Confident195 Ų19580.9 Ų80.985%0.84839%0.388SS*.THydrogen-bonded Turntrans49.826.3177.3-65.3-175.9178-178.10114.3L232 K233L232-K235 PolarHBondContact O-N 3.04Å; L232-K235 VanDerWaalsContact O-N 3.07Å; K233-K235 PolarHBondContact O-N 3.02Å
236S84Confident86.6Confident50 Ų5077.8 Ų77.835%0.3537%0.366SS..  trans-134.8110.8-175.1179.50000111E234 R238 I239E234-S236 PolarHBondContact O-N 2.99Å; S236-R238 PolarHBondContact O-N 3.48Å; S236-I239 WeakPolarHBondContact O-CG2 3.32Å; S236-I239 PolarHBondContact O-N 2.93Å
237Y83.9Confident87Confident193 Ų19373.9 Ų73.976%0.75735%0.346SS*.G310 helixtrans-62.6-21.8176.9-63.8-76000113.5I239 F240Y237-I239 PolarHBondContact O-N 3.37Å; Y237-I239 VanDerWaalsContact O-N 3.07Å; Y237-F240 PolarHBondContact O-N 2.63Å
238R86.6Confident87.5Confident211 Ų21175.1 Ų75.180%0.79635%0.352SS*.G310 helixtrans-59.8-21.8178.1-63.5-176.5179.8-175.90.1112.4S236 F240 F241 R242S236-R238 PolarHBondContact O-N 3.48Å; R238-F240 VanDerWaalsContact C-N 3.29Å; R238-F240 PolarHBondContact O-N 3.46Å; R238-F241 PolarHBondContact O-N 3.04Å; R238-F241 VanDerWaalsContact O-N 3.17Å; R238-R242 PolarHBondContact O-N 3.23Å
239I86Confident87.9Confident2 Ų275.7 Ų75.71%0.0136%0.358CS..G310 helixtrans-61.3-37.1179.2-167.9152.9000113.7L231 E234 S236 Y237 F241 R242L231-I239 HydrophobicContact CB-CG2 4.44Å; L231-I239 HydrophobicContact CD2-CB 4.32Å; L231-I239 HydrophobicContact CD2-CD1 3.32Å; L231-I239 HydrophobicContact CD2-CG1 3.49Å; L231-I239 VanDerWaalsContact CD2-CG1 3.49Å; L231-I239 HydrophobicContact CD2-CG2 3.84Å; E234-I239 HydrophobicContact CB-CD1 4.41Å; E234-I239 HydrophobicContact CG-CD1 4.21Å; E234-I239 WeakPolarHBondContact OE1-CD1 3.32Å; E234-I239 WeakPolarHBondContact OE2-CD1 3.44Å; S236-I239 WeakPolarHBondContact O-CG2 3.32Å; S236-I239 PolarHBondContact O-N 2.93Å; Y237-I239 PolarHBondContact O-N 3.37Å; Y237-I239 VanDerWaalsContact O-N 3.07Å; I239-F241 PolarHBondContact O-N 3.25Å; I239-R242 WeakPolarHBondContact O-CB 3.43Å; I239-R242 PolarHBondContact O-N 3.02Å; I239-R242 VanDerWaalsContact O-N 3.17Å
240F89.6Confident88.3Confident30 Ų3074.6 Ų74.613%0.13235%0.348CS..G310 helixtrans-70-12.1-179.1-66.7-81.6000112.7M207 P208 V211 I212 L231 Y237 R238M207-F240 CarbonylContact C-O 3.58Å; P208-F240 HydrophobicContact CB-CB 4.14Å; P208-F240 HydrophobicContact CB-CD1 3.98Å; P208-F240 HydrophobicContact CB-CG 4.41Å; P208-F240 HydrophobicContact CG-CB 4.21Å; V211-F240 WeakPolarHBondContact CG2-O 3.21Å; I212-F240 HydrophobicContact CD1-CE1 4.24Å; I212-F240 HydrophobicContact CG1-CE1 4.35Å; L231-F240 HydrophobicContact CB-CE1 4.3Å; L231-F240 HydrophobicContact CB-CE2 4.45Å; L231-F240 HydrophobicContact CB-CZ 3.83Å; L231-F240 HydrophobicContact CD1-CD1 4.24Å; L231-F240 HydrophobicContact CD1-CE1 3.55Å; L231-F240 HydrophobicContact CD1-CZ 3.98Å; L231-F240 HydrophobicContact CG-CE1 4.46Å; L231-F240 HydrophobicContact CG-CZ 4.47Å; Y237-F240 PolarHBondContact O-N 2.63Å; R238-F240 VanDerWaalsContact C-N 3.29Å; R238-F240 PolarHBondContact O-N 3.46Å
241F92.4Very high88.7Confident91 Ų9172.3 Ų72.340%0.39934%0.336SS..G310 helixtrans-111.612.9177.7-66.1-89.5000112.6C204 M207 R238 I239 G243 F244C204-F241 WeakPolarHBondContact O-CE1 3.49Å; M207-F241 HydrophobicContact CB-CD1 4.08Å; M207-F241 HydrophobicContact CB-CE1 4.3Å; M207-F241 HydrophobicContact CG-CD1 4.32Å; R238-F241 PolarHBondContact O-N 3.04Å; R238-F241 VanDerWaalsContact O-N 3.17Å; I239-F241 PolarHBondContact O-N 3.25Å; F241-G243 PolarHBondContact O-N 3.35Å; F241-F244 HydrophobicContact CB-CB 4.44Å; F241-F244 VanDerWaalsContact O-CB 3.24Å; F241-F244 WeakPolarHBondContact O-CB 3.25Å; F241-F244 PolarHBondContact O-N 3.41Å
242R90.5Very high89.1Confident26 Ų2677.2 Ų77.210%0.09836%0.358CS..THydrogen-bonded Turntrans-60.2126.2174-79.3-173.5-175.7164.318.3110.5Q34 N39 M207 E234 R238 I239Q34-R242 VanDerWaalsContact CG-O 3.32Å; Q34-R242 WeakPolarHBondContact CG-O 3.39Å; Q34-R242 PolarHBondContact NE2-O 2.9Å; N39-R242 VanDerWaalsContact OD1-CZ 3.31Å; N39-R242 PolarHBondContact OD1-NE 3.21Å; N39-R242 PolarHBondContact OD1-NH2 2.95Å; M207-R242 WeakPolarHBondContact CE-O 3.24Å; E234-R242 IonicContact OE2-CZ 3.88Å; E234-R242 IonicContact OE2-NH2 2.97Å; E234-R242 PolarHBondContact OE2-NH2 3.36Å; R238-R242 PolarHBondContact O-N 3.23Å; I239-R242 WeakPolarHBondContact O-CB 3.43Å; I239-R242 PolarHBondContact O-N 3.02Å; I239-R242 VanDerWaalsContact O-N 3.17Å
243G93.1Very high89.7Confident11 Ų1174.8 Ų74.811%0.11335%0.347CS..THydrogen-bonded Turntrans84.33.9-176.800000114.9F241 N245 V246 V247F241-G243 PolarHBondContact O-N 3.35Å; G243-N245 PolarHBondContact O-N 2.7Å; G243-V246 WeakPolarHBondContact O-CA 3.33Å; G243-V246 WeakPolarHBondContact O-CB 3.48Å; G243-V246 PolarHBondContact O-N 3.23Å; G243-V247 WeakPolarHBondContact O-CG2 3.41Å; G243-V247 PolarHBondContact O-N 2.73Å
244F93.5Very high90.2Very high42 Ų4267.6 Ų67.618%0.18432%0.317CS..Hα-helixtrans-54.3-49.1179.6179.8-110000112.7T200 W203 C204 M207 F241 V246 V247 I248T200-F244 HydrophobicContact CG2-CZ 3.96Å; W203-F244 HydrophobicContact CB-CE2 4.08Å; C204-F244 VanDerWaalsContact SG-CZ 3.52Å; M207-F244 HydrophobicContact CE-CB 4.18Å; M207-F244 HydrophobicContact CG-CB 4.39Å; M207-F244 HydrophobicContact CG-CD2 3.52Å; M207-F244 HydrophobicContact CG-CE2 4.28Å; M207-F244 HydrophobicContact CG-CG 4.41Å; M207-F244 HydrophobicContact SD-CB 4.49Å; M207-F244 HydrophobicContact SD-CD2 4.17Å; F241-F244 HydrophobicContact CB-CB 4.44Å; F241-F244 VanDerWaalsContact O-CB 3.24Å; F241-F244 WeakPolarHBondContact O-CB 3.25Å; F241-F244 PolarHBondContact O-N 3.41Å; F244-V246 PolarHBondContact O-N 3.16Å; F244-V247 WeakPolarHBondContact O-CB 3.29Å; F244-V247 PolarHBondContact O-N 2.88Å; F244-I248 HydrophobicContact CD1-CG1 4.29Å; F244-I248 HydrophobicContact CD2-CG1 4.33Å; F244-I248 HydrophobicContact CE1-CD1 4.48Å; F244-I248 HydrophobicContact CE1-CG1 3.92Å; F244-I248 HydrophobicContact CE2-CD1 3.92Å; F244-I248 HydrophobicContact CE2-CG1 4.01Å; F244-I248 HydrophobicContact CZ-CD1 3.87Å; F244-I248 HydrophobicContact CZ-CG1 3.79Å; F244-I248 WeakPolarHBondContact O-CG1 3.12Å; F244-I248 PolarHBondContact O-N 3.44Å
245N92.9Very high90.7Very high125 Ų12568.5 Ų68.567%0.66833%0.325SS*.Hα-helixtrans-58.6-37.2177.4-64.4-8.1000112G243 V247 I248 T249G243-N245 PolarHBondContact O-N 2.7Å; N245-V247 VanDerWaalsContact C-N 3.34Å; N245-I248 PolarHBondContact O-N 3.23Å; N245-T249 WeakPolarHBondContact O-CB 3.27Å; N245-T249 PolarHBondContact O-N 3.05Å; N245-T249 PolarHBondContact O-OG1 3.33Å
246V95Very high91.5Very high5 Ų562.2 Ų62.23%0.0331%0.309CS..Hα-helixtrans-66.1-40.5178-1760000110.7L26 I29 K30 L33 F42 G243 F244 R250L26-V246 HydrophobicContact CB-CG1 3.86Å; L26-V246 HydrophobicContact CD2-CG1 4.07Å; L26-V246 WeakPolarHBondContact O-CG1 3.43Å; I29-V246 HydrophobicContact CG2-CG2 4.26Å; K30-V246 HydrophobicContact CB-CG1 4.06Å; L33-V246 HydrophobicContact CD1-CG2 3.73Å; F42-V246 HydrophobicContact CD2-CG2 3.62Å; F42-V246 HydrophobicContact CE2-CG2 3.98Å; G243-V246 WeakPolarHBondContact O-CA 3.33Å; G243-V246 WeakPolarHBondContact O-CB 3.48Å; G243-V246 PolarHBondContact O-N 3.23Å; F244-V246 PolarHBondContact O-N 3.16Å; V246-R250 WeakPolarHBondContact O-CB 3.34Å; V246-R250 PolarHBondContact O-N 3.2Å
247V93.8Very high92.1Very high2 Ų261.1 Ų61.11%0.01230%0.301CS..Hα-helixtrans-65.9-43.9177.4171.40000111.7K30 W203 M207 G243 F244 N245 R250 A251K30-V247 HydrophobicContact CD-CG2 3.39Å; K30-V247 HydrophobicContact CG-CG2 4.11Å; W203-V247 HydrophobicContact CB-CG1 4.33Å; W203-V247 HydrophobicContact CD2-CG1 3.17Å; W203-V247 HydrophobicContact CE3-CG1 3.49Å; W203-V247 VanDerWaalsContact CE3-CG1 3.49Å; W203-V247 HydrophobicContact CG-CG1 3.55Å; W203-V247 HydrophobicContact CH2-CG1 3.97Å; W203-V247 HydrophobicContact CZ2-CG1 3.71Å; W203-V247 HydrophobicContact CZ3-CG1 3.86Å; M207-V247 HydrophobicContact SD-CB 4.43Å; M207-V247 HydrophobicContact SD-CG2 4.04Å; G243-V247 WeakPolarHBondContact O-CG2 3.41Å; G243-V247 PolarHBondContact O-N 2.73Å; F244-V247 WeakPolarHBondContact O-CB 3.29Å; F244-V247 PolarHBondContact O-N 2.88Å; N245-V247 VanDerWaalsContact C-N 3.34Å; V247-R250 PolarHBondContact O-N 3.08Å; V247-A251 PolarHBondContact O-N 2.9Å
248I93.7Very high92.6Very high30 Ų3053.8 Ų53.815%0.15428%0.276CS..Hα-helixtrans-64-51.6177.1-62.1-58.3000110.4T200 W203 F244 N245 R250 A251 F252T200-I248 HydrophobicContact CG2-CD1 4.16Å; W203-I248 HydrophobicContact CB-CD1 4.3Å; F244-I248 HydrophobicContact CD1-CG1 4.29Å; F244-I248 HydrophobicContact CD2-CG1 4.33Å; F244-I248 HydrophobicContact CE1-CD1 4.48Å; F244-I248 HydrophobicContact CE1-CG1 3.92Å; F244-I248 HydrophobicContact CE2-CD1 3.92Å; F244-I248 HydrophobicContact CE2-CG1 4.01Å; F244-I248 HydrophobicContact CZ-CD1 3.87Å; F244-I248 HydrophobicContact CZ-CG1 3.79Å; F244-I248 WeakPolarHBondContact O-CG1 3.12Å; F244-I248 PolarHBondContact O-N 3.44Å; N245-I248 PolarHBondContact O-N 3.23Å; I248-R250 VanDerWaalsContact C-N 3.27Å; I248-R250 PolarHBondContact O-N 2.9Å; I248-A251 WeakPolarHBondContact O-CB 3.43Å; I248-A251 PolarHBondContact O-N 2.83Å; I248-F252 HydrophobicContact CG2-CD2 4.06Å; I248-F252 HydrophobicContact CG2-CE2 3.74Å; I248-F252 VanDerWaalsContact O-CD2 3.27Å; I248-F252 WeakPolarHBondContact O-CD2 3.23Å; I248-F252 PolarHBondContact O-N 3.19Å
249T94Very high92.9Very high74 Ų7450.8 Ų50.845%0.45427%0.269SS..Hα-helixtrans-56.7-43.4176.5-610000111.5L26 N245 A251 F252 V253L26-T249 HydrophobicContact CD1-CG2 4.32Å; N245-T249 WeakPolarHBondContact O-CB 3.27Å; N245-T249 PolarHBondContact O-N 3.05Å; N245-T249 PolarHBondContact O-OG1 3.33Å; T249-A251 VanDerWaalsContact C-N 3.35Å; T249-A251 PolarHBondContact O-N 3.48Å; T249-F252 PolarHBondContact O-N 2.9Å; T249-V253 HydrophobicContact CG2-CG2 4.34Å; T249-V253 WeakPolarHBondContact O-CG2 3.43Å; T249-V253 PolarHBondContact O-N 3.39Å
250R94Very high93.4Very high59 Ų5953.3 Ų53.322%0.22329%0.291CS..Hα-helixtrans-59.4-44.4175.7177-171.4169.2-85.22.4111.8L26 D27 V246 V247 I248 F252 V253 V254L26-R250 HydrophobicContact CB-CB 3.99Å; L26-R250 HydrophobicContact CB-CG 4.29Å; L26-R250 VanDerWaalsContact CD1-CA 3.5Å; L26-R250 HydrophobicContact CD1-CB 3.74Å; L26-R250 HydrophobicContact CD1-CG 4.36Å; D27-R250 WeakPolarHBondContact OD1-CD 3.2Å; D27-R250 IonicContact OD1-CZ 3.47Å; D27-R250 IonicContact OD1-NE 2.7Å; D27-R250 PolarHBondContact OD1-NE 2.99Å; D27-R250 IonicContact OD1-NH2 3.78Å; D27-R250 IonicContact OD2-NE 3.56Å; D27-R250 IonicContact OD2-NH2 3.68Å; V246-R250 WeakPolarHBondContact O-CB 3.34Å; V246-R250 PolarHBondContact O-N 3.2Å; V247-R250 PolarHBondContact O-N 3.08Å; I248-R250 VanDerWaalsContact C-N 3.27Å; I248-R250 PolarHBondContact O-N 2.9Å; R250-F252 VanDerWaalsContact C-N 3.31Å; R250-F252 PolarHBondContact O-N 3.21Å; R250-V253 PolarHBondContact O-N 3.15Å; R250-V254 HydrophobicContact CG-CG2 3.76Å; R250-V254 VanDerWaalsContact O-CB 3.28Å; R250-V254 WeakPolarHBondContact O-CB 3.34Å; R250-V254 WeakPolarHBondContact O-CG2 3.22Å; R250-V254 PolarHBondContact O-N 2.75Å
251A92.2Very high93.7Very high24 Ų2453.7 Ų53.720%0.19830%0.295CS..Hα-helixtrans-57.8-45.7179.600000111.1V247 I248 T249 N255V247-A251 PolarHBondContact O-N 2.9Å; I248-A251 WeakPolarHBondContact O-CB 3.43Å; I248-A251 PolarHBondContact O-N 2.83Å; T249-A251 VanDerWaalsContact C-N 3.35Å; T249-A251 PolarHBondContact O-N 3.48Å; A251-N255 WeakPolarHBondContact O-CB 3.21Å; A251-N255 PolarHBondContact O-N 2.82Å; A251-N255 PolarHBondContact O-ND2 3.38Å; A251-N255 VanDerWaalsContact O-ND2 3.13Å
252F91.9Very high93.9Very high106 Ų10652.4 Ų52.447%0.46529%0.288SS..Hα-helixtrans-61.2-50.4175.2-76.3-75.4000112.6A196 I248 T249 R250 N255 A256A196-F252 HydrophobicContact CB-CZ 4.37Å; I248-F252 HydrophobicContact CG2-CD2 4.06Å; I248-F252 HydrophobicContact CG2-CE2 3.74Å; I248-F252 VanDerWaalsContact O-CD2 3.27Å; I248-F252 WeakPolarHBondContact O-CD2 3.23Å; I248-F252 PolarHBondContact O-N 3.19Å; T249-F252 PolarHBondContact O-N 2.9Å; R250-F252 VanDerWaalsContact C-N 3.31Å; R250-F252 PolarHBondContact O-N 3.21Å; F252-N255 PolarHBondContact O-N 3.22Å; F252-A256 VanDerWaalsContact O-CB 3.24Å; F252-A256 WeakPolarHBondContact O-CB 3.4Å; F252-A256 PolarHBondContact O-N 3.17Å
253V94.5Very high94Very high55 Ų5555.2 Ų55.233%0.33330%0.303SS..Hα-helixtrans-62.9-47.2-177.4170.40000111.8V22 L26 T249 R250 C257V22-V253 HydrophobicContact CG1-CG1 3.54Å; L26-V253 HydrophobicContact CD1-CG2 4.5Å; T249-V253 HydrophobicContact CG2-CG2 4.34Å; T249-V253 WeakPolarHBondContact O-CG2 3.43Å; T249-V253 PolarHBondContact O-N 3.39Å; R250-V253 PolarHBondContact O-N 3.15Å; V253-C257 VanDerWaalsContact O-CB 3.3Å; V253-C257 WeakPolarHBondContact O-CB 3.48Å; V253-C257 PolarHBondContact O-N 3.23Å
254V95.2Very high94.2Very high20 Ų2059.2 Ų59.212%0.12133%0.325CS..Hα-helixtrans-65.4-45.5-179.1172.30000110.4R250 C257 T258R250-V254 HydrophobicContact CG-CG2 3.76Å; R250-V254 VanDerWaalsContact O-CB 3.28Å; R250-V254 WeakPolarHBondContact O-CB 3.34Å; R250-V254 WeakPolarHBondContact O-CG2 3.22Å; R250-V254 PolarHBondContact O-N 2.75Å; V254-C257 PolarHBondContact O-N 3.23Å; V254-T258 VanDerWaalsContact O-CB 3.27Å; V254-T258 WeakPolarHBondContact O-CB 3.09Å; V254-T258 PolarHBondContact O-N 3.46Å; V254-T258 PolarHBondContact O-OG1 3.17Å
255N91.9Very high94.2Very high88 Ų8858.6 Ų58.647%0.47133%0.325SS..Hα-helixtrans-64.3-48.5179.5-69.6-17.3000110.8A251 F252 C257 T258 F259A251-N255 WeakPolarHBondContact O-CB 3.21Å; A251-N255 PolarHBondContact O-N 2.82Å; A251-N255 PolarHBondContact O-ND2 3.38Å; A251-N255 VanDerWaalsContact O-ND2 3.13Å; F252-N255 PolarHBondContact O-N 3.22Å; N255-C257 VanDerWaalsContact C-N 3.34Å; N255-C257 PolarHBondContact O-N 3.07Å; N255-T258 PolarHBondContact O-N 3.22Å; N255-F259 HydrophobicContact CB-CD2 4.44Å; N255-F259 HydrophobicContact CB-CE2 4.42Å; N255-F259 WeakPolarHBondContact O-CD2 3.47Å; N255-F259 PolarHBondContact O-N 3Å
256A93.7Very high94.3Very high63 Ų6353.7 Ų53.752%0.52130%0.297SS..Hα-helixtrans-57.6-45.6178.400000112.1F252 A260F252-A256 VanDerWaalsContact O-CB 3.24Å; F252-A256 WeakPolarHBondContact O-CB 3.4Å; F252-A256 PolarHBondContact O-N 3.17Å; A256-A260 VanDerWaalsContact O-CB 3.32Å; A256-A260 WeakPolarHBondContact O-CB 3.48Å; A256-A260 PolarHBondContact O-N 3.41Å
257C96.4Very high94.2Very high27 Ų2758.1 Ų58.118%0.18232%0.317CS..Hα-helixtrans-65.3-45.7177.3179.20000112.1V253 V254 N255 F259 A260 V261V253-C257 VanDerWaalsContact O-CB 3.3Å; V253-C257 WeakPolarHBondContact O-CB 3.48Å; V253-C257 PolarHBondContact O-N 3.23Å; V254-C257 PolarHBondContact O-N 3.23Å; N255-C257 VanDerWaalsContact C-N 3.34Å; N255-C257 PolarHBondContact O-N 3.07Å; C257-F259 PolarHBondContact O-N 3.48Å; C257-A260 PolarHBondContact O-N 3.47Å; C257-V261 WeakPolarHBondContact O-CB 3.06Å; C257-V261 VanDerWaalsContact O-CG2 3.29Å; C257-V261 WeakPolarHBondContact O-CG2 2.96Å; C257-V261 PolarHBondContact O-N 2.86Å
258T94.6Very high94.2Very high39 Ų3963.1 Ų63.124%0.23934%0.34CS..Hα-helixtrans-59.7-46.8-179.5-57.90000110.8V254 N255 Y262V254-T258 VanDerWaalsContact O-CB 3.27Å; V254-T258 WeakPolarHBondContact O-CB 3.09Å; V254-T258 PolarHBondContact O-N 3.46Å; V254-T258 PolarHBondContact O-OG1 3.17Å; N255-T258 PolarHBondContact O-N 3.22Å; T258-Y262 WeakPolarHBondContact O-CB 3.17Å; T258-Y262 PolarHBondContact O-N 3.45Å
259F92.5Very high94.2Very high147 Ų14763.4 Ų63.465%0.64534%0.342SS*.Hα-helixtrans-64.9-46.9177.8-78.6-63.9000112.4N255 C257 V261 Y262 E263N255-F259 HydrophobicContact CB-CD2 4.44Å; N255-F259 HydrophobicContact CB-CE2 4.42Å; N255-F259 WeakPolarHBondContact O-CD2 3.47Å; N255-F259 PolarHBondContact O-N 3Å; C257-F259 PolarHBondContact O-N 3.48Å; F259-V261 VanDerWaalsContact C-N 3.33Å; F259-V261 PolarHBondContact O-N 3.28Å; F259-Y262 PolarHBondContact O-N 3.03Å; F259-E263 PolarHBondContact O-N 3.34Å
260A95.7Very high94Very high56 Ų5665.9 Ų65.946%0.46335%0.346SS..Hα-helixtrans-61.2-42.6-179.900000112.2A256 C257 T264A256-A260 VanDerWaalsContact O-CB 3.32Å; A256-A260 WeakPolarHBondContact O-CB 3.48Å; A256-A260 PolarHBondContact O-N 3.41Å; C257-A260 PolarHBondContact O-N 3.47Å; A260-T264 WeakPolarHBondContact O-CB 3.23Å; A260-T264 PolarHBondContact O-N 3.28Å; A260-T264 VanDerWaalsContact O-N 3.11Å; A260-T264 PolarHBondContact O-OG1 2.9Å
261V96.8Very high93.7Very high37 Ų3770.7 Ų70.722%0.22437%0.369CS..Hα-helixtrans-70.6-42.9177.8173.80000110.9I14 A18 C257 F259 E263 T264 V265I14-V261 HydrophobicContact CG2-CG1 3.82Å; A18-V261 HydrophobicContact CB-CB 4.21Å; A18-V261 HydrophobicContact CB-CG1 4.02Å; A18-V261 HydrophobicContact CB-CG2 3.82Å; C257-V261 WeakPolarHBondContact O-CB 3.06Å; C257-V261 VanDerWaalsContact O-CG2 3.29Å; C257-V261 WeakPolarHBondContact O-CG2 2.96Å; C257-V261 PolarHBondContact O-N 2.86Å; F259-V261 VanDerWaalsContact C-N 3.33Å; F259-V261 PolarHBondContact O-N 3.28Å; V261-E263 PolarHBondContact O-N 3.42Å; V261-T264 PolarHBondContact O-N 3.18Å; V261-V265 HydrophobicContact CG1-CG2 4.11Å; V261-V265 WeakPolarHBondContact O-CB 3.41Å; V261-V265 WeakPolarHBondContact O-CG2 3.4Å; V261-V265 PolarHBondContact O-N 2.82Å
262Y95.3Very high92.9Very high64 Ų6478.8 Ų78.825%0.25140%0.396SS..Hα-helixtrans-54.4-53175.2172.4-90.5000111A11 T258 F259 T264 V265 Y266A11-Y262 HydrophobicContact CB-CD2 3.71Å; A11-Y262 HydrophobicContact CB-CE2 3.82Å; A11-Y262 HydrophobicContact CB-CG 4.44Å; T258-Y262 WeakPolarHBondContact O-CB 3.17Å; T258-Y262 PolarHBondContact O-N 3.45Å; F259-Y262 PolarHBondContact O-N 3.03Å; Y262-T264 PolarHBondContact O-N 3.05Å; Y262-V265 PolarHBondContact O-N 2.98Å; Y262-Y266 WeakPolarHBondContact O-CB 3.44Å; Y262-Y266 PolarHBondContact O-N 3.41Å
263E93.8Very high93Very high86 Ų8677.5 Ų77.540%0.40239%0.392SS..Hα-helixtrans-63.7-46.4-176.2-164.160.9-144.700110.9F259 V261 V265 Y266 E267F259-E263 PolarHBondContact O-N 3.34Å; V261-E263 PolarHBondContact O-N 3.42Å; E263-V265 VanDerWaalsContact C-N 3.34Å; E263-V265 PolarHBondContact O-N 2.94Å; E263-Y266 PolarHBondContact O-N 3.07Å; E263-E267 HydrophobicContact CG-CG 4.41Å; E263-E267 WeakPolarHBondContact O-CB 3.49Å; E263-E267 WeakPolarHBondContact O-CG 3.3Å; E263-E267 PolarHBondContact O-N 3.31Å
264T95.9Very high92.9Very high94 Ų9478.6 Ų78.658%0.57740%0.395SS*.Hα-helixtrans-59.4-45179.3-56.80000111.7A260 V261 Y262 H268A260-T264 WeakPolarHBondContact O-CB 3.23Å; A260-T264 PolarHBondContact O-N 3.28Å; A260-T264 VanDerWaalsContact O-N 3.11Å; A260-T264 PolarHBondContact O-OG1 2.9Å; V261-T264 PolarHBondContact O-N 3.18Å; Y262-T264 PolarHBondContact O-N 3.05Å; T264-H268 WeakPolarHBondContact O-CB 3.36Å; T264-H268 PolarHBondContact O-N 3.3Å; T264-H268 VanDerWaalsContact O-N 3.09Å
265V95.3Very high92.8Very high30 Ų3081.9 Ų81.918%0.18241%0.411CS..Hα-helixtrans-69.8-43.5179.8173.60000110.5A11 I14 V261 Y262 E263 H268 L269A11-V265 HydrophobicContact CB-CB 4.14Å; A11-V265 HydrophobicContact CB-CG1 3.9Å; I14-V265 HydrophobicContact CB-CG2 4.46Å; I14-V265 HydrophobicContact CD1-CG1 4.07Å; I14-V265 HydrophobicContact CG2-CG2 3.98Å; V261-V265 HydrophobicContact CG1-CG2 4.11Å; V261-V265 WeakPolarHBondContact O-CB 3.41Å; V261-V265 WeakPolarHBondContact O-CG2 3.4Å; V261-V265 PolarHBondContact O-N 2.82Å; Y262-V265 PolarHBondContact O-N 2.98Å; E263-V265 VanDerWaalsContact C-N 3.34Å; E263-V265 PolarHBondContact O-N 2.94Å; V265-H268 PolarHBondContact O-N 3.02Å; V265-L269 HydrophobicContact CG1-CD1 3.76Å; V265-L269 HydrophobicContact CG1-CG 4.2Å; V265-L269 WeakPolarHBondContact O-CB 3.36Å; V265-L269 VanDerWaalsContact O-CG 3.27Å; V265-L269 WeakPolarHBondContact O-CG 3.39Å; V265-L269 PolarHBondContact O-N 2.97Å
266Y93.7Very high92.8Very high21 Ų2181.5 Ų81.58%0.08241%0.407CS..Hα-helixtrans-64.5-43.9-179.4-177.4-120000112.2N7 E8 Y262 E263 H268 L269 K270N7-Y266 HydrophobicContact CB-CD2 4.22Å; N7-Y266 HydrophobicContact CB-CE2 4.23Å; E8-Y266 HydrophobicContact CG-CD2 4.17Å; E8-Y266 HydrophobicContact CG-CE2 3.45Å; E8-Y266 VanDerWaalsContact CG-CE2 3.45Å; E8-Y266 PolarHBondContact OE1-OH 3.25Å; Y262-Y266 WeakPolarHBondContact O-CB 3.44Å; Y262-Y266 PolarHBondContact O-N 3.41Å; E263-Y266 PolarHBondContact O-N 3.07Å; Y266-H268 VanDerWaalsContact C-N 3.33Å; Y266-H268 PolarHBondContact O-N 3.2Å; Y266-L269 PolarHBondContact O-N 3.4Å; Y266-K270 HydrophobicContact CD1-CD 4.21Å; Y266-K270 HydrophobicContact CE1-CD 3.89Å; Y266-K270 WeakPolarHBondContact O-CB 3.42Å; Y266-K270 WeakPolarHBondContact O-CG 3.39Å; Y266-K270 PolarHBondContact O-N 3.29Å; Y266-K270 WeakPolarHBondContact OH-CE 3.48Å; Y266-K270 PolarHBondContact OH-NZ 3.35Å
267E93.8Very high92.8Very high99 Ų9982.7 Ų82.746%0.46340%0.4SS..Hα-helixtrans-61.5-40.3173.2-74.3-173.9170.600112E263 K270 K271E263-E267 HydrophobicContact CG-CG 4.41Å; E263-E267 WeakPolarHBondContact O-CB 3.49Å; E263-E267 WeakPolarHBondContact O-CG 3.3Å; E263-E267 PolarHBondContact O-N 3.31Å; E267-K270 PolarHBondContact O-N 3.49Å; E267-K271 WeakPolarHBondContact O-CG 3.49Å; E267-K271 PolarHBondContact O-N 2.96Å
268H94Very high92.5Very high106 Ų10686.4 Ų86.449%0.49141%0.414SS..Hα-helixtrans-64.4-46.1176.1-172.681.9000111.6T264 V265 Y266 K270 K271 Y272T264-H268 WeakPolarHBondContact O-CB 3.36Å; T264-H268 PolarHBondContact O-N 3.3Å; T264-H268 VanDerWaalsContact O-N 3.09Å; V265-H268 PolarHBondContact O-N 3.02Å; Y266-H268 VanDerWaalsContact C-N 3.33Å; Y266-H268 PolarHBondContact O-N 3.2Å; H268-K270 VanDerWaalsContact C-N 3.28Å; H268-K270 PolarHBondContact O-N 3.42Å; H268-K271 PolarHBondContact O-N 2.96Å; H268-Y272 AromaticContact CE1-CE2 3.66Å; H268-Y272 AromaticContact NE2-CE2 3.8Å; H268-Y272 WeakPolarHBondContact O-CD2 3.18Å
269L92.8Very high92.4Very high37 Ų3789.8 Ų89.819%0.19443%0.427CS..Hα-helixtrans-69.3-22.4179-69.1174.2000113.7N7 L10 V265 Y266N7-L269 HydrophobicContact CB-CB 4.09Å; N7-L269 HydrophobicContact CB-CD1 4.26Å; N7-L269 PolarHBondContact ND2-O 3.24Å; L10-L269 HydrophobicContact CB-CD1 4.09Å; L10-L269 HydrophobicContact CD2-CD1 3.85Å; L10-L269 HydrophobicContact CD2-CD2 4.22Å; L10-L269 HydrophobicContact CG-CD1 4.1Å; V265-L269 HydrophobicContact CG1-CD1 3.76Å; V265-L269 HydrophobicContact CG1-CG 4.2Å; V265-L269 WeakPolarHBondContact O-CB 3.36Å; V265-L269 VanDerWaalsContact O-CG 3.27Å; V265-L269 WeakPolarHBondContact O-CG 3.39Å; V265-L269 PolarHBondContact O-N 2.97Å; Y266-L269 PolarHBondContact O-N 3.4Å
270K90.1Very high92.3Very high125 Ų12585.4 Ų85.454%0.54341%0.41SS..Hα-helixtrans-73.1-27.9172.9-87.4179.6163170.90113.1Y266 E267 H268 Y272Y266-K270 HydrophobicContact CD1-CD 4.21Å; Y266-K270 HydrophobicContact CE1-CD 3.89Å; Y266-K270 WeakPolarHBondContact O-CB 3.42Å; Y266-K270 WeakPolarHBondContact O-CG 3.39Å; Y266-K270 PolarHBondContact O-N 3.29Å; Y266-K270 WeakPolarHBondContact OH-CE 3.48Å; Y266-K270 PolarHBondContact OH-NZ 3.35Å; E267-K270 PolarHBondContact O-N 3.49Å; H268-K270 VanDerWaalsContact C-N 3.28Å; H268-K270 PolarHBondContact O-N 3.42Å; K270-Y272 VanDerWaalsContact C-N 3.32Å
271K86.9Confident92.1Very high161 Ų16187.8 Ų87.870%0.741%0.406SS*.Hα-helixtrans-74.8-22.1-178.6-71.3173.4-176176.80113.1E267 H268E267-K271 WeakPolarHBondContact O-CG 3.49Å; E267-K271 PolarHBondContact O-N 2.96Å; H268-K271 PolarHBondContact O-N 2.96Å
272Y76.3Confident91.6Very high194 Ų19492.5 Ų92.576%0.76142%0.422SS*.  trans-114.40179.7-62.9-81.2000111K3 H268 K270K3-Y272 WeakPolarHBondContact CE-OXT 3.27Å; K3-Y272 PolarHBondContact NZ-O 2.74Å; K3-Y272 PolarHBondContact NZ-OXT 2.79Å; H268-Y272 AromaticContact CE1-CE2 3.66Å; H268-Y272 AromaticContact NE2-CE2 3.8Å; H268-Y272 WeakPolarHBondContact O-CD2 3.18Å; K270-Y272 VanDerWaalsContact C-N 3.32Å

Retrieved 272 of 272 residues in 482 ms (Link to these results)

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