A0A087YI64_POEFO Loading...

Endoplasmic reticulum transmembrane protein

May play a role in anterograde transport of membrane proteins from the endoplasmic reticulum to the Golgi.

AlphaFold DB , UniProt , Accession A0A087YI64, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 242 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
1M63.1Low88.4Confident109 Ų10966.9 Ų66.954%0.53738%0.378SS..  0141.20-80.5-72.4-132.600107.5W5 T6 R100 I104M1-W5 HydrophobicContact CE-CB 4.41Å; M1-W5 HydrophobicContact SD-CB 4.1Å; M1-T6 HydrophobicContact CB-CG2 3.66Å; M1-R100 PolarHBondContact SD-NH2 3.39Å; M1-I104 HydrophobicContact CE-CD1 4.18Å
2S82.9Confident88.9Confident56 Ų5662.9 Ų62.939%0.39235%0.354SS..  trans-71.1155.1170.456.60000110.1Q4 W5 T6S2-Q4 PolarHBondContact O-N 3.5Å; S2-Q4 VanDerWaalsContact O-N 3.16Å; S2-Q4 WeakPolarHBondContact OG-CG 3.21Å; S2-Q4 PolarHBondContact OG-NE2 3.18Å; S2-W5 PolarHBondContact O-N 3.47Å; S2-T6 PolarHBondContact O-N 2.85Å
3L86.3Confident89.3Confident154 Ų15470.5 Ų70.581%0.80638%0.376SS*.Hα-helixtrans-55.6-32.8-176-74.9167.3000113.3T6 A7L3-T6 VanDerWaalsContact C-OG1 3.32Å; L3-T6 WeakPolarHBondContact CA-OG1 3.32Å; L3-T6 PolarHBondContact O-OG1 3.35Å; L3-A7 PolarHBondContact O-N 2.87Å; L3-A7 VanDerWaalsContact O-N 3.1Å
4Q89.6Confident89.7Confident97 Ų9768.9 Ų68.945%0.45338%0.378SS..Hα-helixtrans-61.8-46.1175.669.6-166.91.900112.1S2 T6 A7 V8S2-Q4 PolarHBondContact O-N 3.5Å; S2-Q4 VanDerWaalsContact O-N 3.16Å; S2-Q4 WeakPolarHBondContact OG-CG 3.21Å; S2-Q4 PolarHBondContact OG-NE2 3.18Å; Q4-T6 PolarHBondContact O-N 2.9Å; Q4-A7 WeakPolarHBondContact O-CB 3.46Å; Q4-A7 PolarHBondContact O-N 3.2Å; Q4-V8 WeakPolarHBondContact O-CG2 3.41Å; Q4-V8 PolarHBondContact O-N 2.78Å
5W89.3Confident90Very high5 Ų564.9 Ų64.92%0.01936%0.355CS..Hα-helixtrans-74.9-28.1-175.6-67.4119.5000112M1 S2 V8 A9 L62 A66 N101 A105M1-W5 HydrophobicContact CE-CB 4.41Å; M1-W5 HydrophobicContact SD-CB 4.1Å; S2-W5 PolarHBondContact O-N 3.47Å; W5-V8 HydrophobicContact CE3-CG2 4.5Å; W5-A9 VanDerWaalsContact O-CB 3.31Å; W5-A9 WeakPolarHBondContact O-CB 3.4Å; W5-A9 PolarHBondContact O-N 2.86Å; W5-L62 HydrophobicContact CH2-CB 4.16Å; W5-A66 HydrophobicContact CH2-CB 3.7Å; W5-A66 HydrophobicContact CZ2-CB 4.1Å; W5-N101 HydrophobicContact CD2-CB 3.74Å; W5-N101 VanDerWaalsContact CD2-CG 3.42Å; W5-N101 HydrophobicContact CE3-CB 3.65Å; W5-N101 HydrophobicContact CG-CB 4.5Å; W5-N101 HydrophobicContact CH2-CB 3.78Å; W5-N101 HydrophobicContact CZ2-CB 3.83Å; W5-N101 HydrophobicContact CZ3-CB 3.66Å; W5-N101 WeakPolarHBondContact CZ3-O 3.5Å; W5-N101 PolarHBondContact NE1-ND2 3.49Å; W5-A105 HydrophobicContact CZ3-CB 4.16Å
6T92Very high90.3Very high58 Ų5864.5 Ų64.536%0.35636%0.355SS..Hα-helixtrans-68.2-36.4169.4500000112M1 S2 L3 Q4 A9 T10M1-T6 HydrophobicContact CB-CG2 3.66Å; S2-T6 PolarHBondContact O-N 2.85Å; L3-T6 VanDerWaalsContact C-OG1 3.32Å; L3-T6 WeakPolarHBondContact CA-OG1 3.32Å; L3-T6 PolarHBondContact O-OG1 3.35Å; Q4-T6 PolarHBondContact O-N 2.9Å; T6-A9 PolarHBondContact O-N 3.06Å; T6-T10 WeakPolarHBondContact O-CB 3.28Å; T6-T10 PolarHBondContact O-N 2.97Å; T6-T10 PolarHBondContact O-OG1 3.45Å
7A92.7Very high90.5Very high60 Ų6068.5 Ų68.550%0.49637%0.368SS..Hα-helixtrans-66-45.7175.300000111.5L3 Q4 A9 T10 F11L3-A7 PolarHBondContact O-N 2.87Å; L3-A7 VanDerWaalsContact O-N 3.1Å; Q4-A7 WeakPolarHBondContact O-CB 3.46Å; Q4-A7 PolarHBondContact O-N 3.2Å; A7-A9 PolarHBondContact O-N 3.03Å; A7-T10 PolarHBondContact O-N 2.93Å; A7-F11 WeakPolarHBondContact O-CB 3.39Å; A7-F11 PolarHBondContact O-N 2.94Å
8V93.7Very high90.5Very high12 Ų1268.7 Ų68.77%0.07337%0.369CS..Hα-helixtrans-63-41.4176.1-175.30000111.4Q4 W5 T10 F11 L12 L59 L62 I104 A108Q4-V8 WeakPolarHBondContact O-CG2 3.41Å; Q4-V8 PolarHBondContact O-N 2.78Å; W5-V8 HydrophobicContact CE3-CG2 4.5Å; V8-T10 VanDerWaalsContact C-N 3.34Å; V8-T10 PolarHBondContact O-N 2.99Å; V8-F11 WeakPolarHBondContact O-CB 3.19Å; V8-F11 PolarHBondContact O-N 2.85Å; V8-L12 WeakPolarHBondContact O-CB 3.37Å; V8-L12 PolarHBondContact O-N 3.47Å; V8-L59 HydrophobicContact CG1-CD2 4.03Å; V8-L62 HydrophobicContact CG2-CD1 3.61Å; V8-I104 HydrophobicContact CB-CG2 4.31Å; V8-I104 HydrophobicContact CG1-CG2 3.78Å; V8-A108 HydrophobicContact CG1-CB 4.4Å
9A93.6Very high90.5Very high12 Ų1266.5 Ų66.510%0.09936%0.358CS..Hα-helixtrans-63.4-40.6176.200000112.1W5 T6 A7 F11 L12 Y13 I104W5-A9 VanDerWaalsContact O-CB 3.31Å; W5-A9 WeakPolarHBondContact O-CB 3.4Å; W5-A9 PolarHBondContact O-N 2.86Å; T6-A9 PolarHBondContact O-N 3.06Å; A7-A9 PolarHBondContact O-N 3.03Å; A9-F11 VanDerWaalsContact C-N 3.34Å; A9-L12 WeakPolarHBondContact O-CB 3.35Å; A9-L12 PolarHBondContact O-N 2.93Å; A9-Y13 HydrophobicContact CB-CE2 4.38Å; A9-Y13 WeakPolarHBondContact O-CD2 3.24Å; A9-Y13 VanDerWaalsContact O-CG 3.25Å; A9-Y13 PolarHBondContact O-N 3.41Å; A9-I104 HydrophobicContact CB-CG2 4.31Å
10T94.3Very high90.5Very high94 Ų9468.7 Ų68.758%0.57737%0.369SS*.Hα-helixtrans-63.9-42175.9-54.90000111.1T6 A7 V8 Y13 A14T6-T10 WeakPolarHBondContact O-CB 3.28Å; T6-T10 PolarHBondContact O-N 2.97Å; T6-T10 PolarHBondContact O-OG1 3.45Å; A7-T10 PolarHBondContact O-N 2.93Å; V8-T10 VanDerWaalsContact C-N 3.34Å; V8-T10 PolarHBondContact O-N 2.99Å; T10-Y13 PolarHBondContact O-N 3.26Å; T10-A14 PolarHBondContact O-N 3.24Å
11F94.5Very high90.3Very high79 Ų7968 Ų6835%0.34637%0.365SS..Hα-helixtrans-59.3-48.5173.9178.8-101.4000111.4A7 V8 A9 Y13 A14 E15 L59 A108A7-F11 WeakPolarHBondContact O-CB 3.39Å; A7-F11 PolarHBondContact O-N 2.94Å; V8-F11 WeakPolarHBondContact O-CB 3.19Å; V8-F11 PolarHBondContact O-N 2.85Å; A9-F11 VanDerWaalsContact C-N 3.34Å; F11-Y13 VanDerWaalsContact C-N 3.34Å; F11-Y13 PolarHBondContact O-N 2.88Å; F11-A14 WeakPolarHBondContact O-CB 3.47Å; F11-A14 PolarHBondContact O-N 3.42Å; F11-A14 VanDerWaalsContact O-N 3.13Å; F11-E15 HydrophobicContact CD1-CG 4.36Å; F11-E15 HydrophobicContact CE1-CG 4Å; F11-E15 WeakPolarHBondContact CE1-OE1 3.31Å; F11-E15 HydrophobicContact CZ-CG 4.06Å; F11-E15 WeakPolarHBondContact CZ-OE1 3.24Å; F11-E15 WeakPolarHBondContact O-CG 3.44Å; F11-E15 PolarHBondContact O-N 3.14Å; F11-L59 HydrophobicContact CE1-CD1 3.9Å; F11-A108 HydrophobicContact CD1-CB 4.2Å; F11-A108 HydrophobicContact CE1-CB 4.45Å
12L94.7Very high91.4Very high19 Ų1964.1 Ų64.110%0.09935%0.346CS..Hα-helixtrans-56-45.4175.317767.8000112.3V8 A9 A14 E15 V16 I104 F107 A108 L111V8-L12 WeakPolarHBondContact O-CB 3.37Å; V8-L12 PolarHBondContact O-N 3.47Å; A9-L12 WeakPolarHBondContact O-CB 3.35Å; A9-L12 PolarHBondContact O-N 2.93Å; L12-A14 VanDerWaalsContact C-N 3.32Å; L12-A14 PolarHBondContact O-N 2.86Å; L12-E15 WeakPolarHBondContact O-CB 3.48Å; L12-E15 PolarHBondContact O-N 2.92Å; L12-V16 WeakPolarHBondContact O-CG2 3.36Å; L12-V16 PolarHBondContact O-N 2.81Å; L12-I104 HydrophobicContact CD2-CG2 4.17Å; L12-F107 HydrophobicContact CD1-CB 3.92Å; L12-A108 HydrophobicContact CB-CB 4.24Å; L12-A108 HydrophobicContact CD1-CB 4.03Å; L12-L111 HydrophobicContact CD1-CD1 3.67Å
13Y94.8Very high91.4Very high162 Ų16265.3 Ų65.364%0.63535%0.353SS*.Hα-helixtrans-64.2-38.1178.3-63.2-35.3000112.4A9 T10 F11 E15 V16 F17A9-Y13 HydrophobicContact CB-CE2 4.38Å; A9-Y13 WeakPolarHBondContact O-CD2 3.24Å; A9-Y13 VanDerWaalsContact O-CG 3.25Å; A9-Y13 PolarHBondContact O-N 3.41Å; T10-Y13 PolarHBondContact O-N 3.26Å; F11-Y13 VanDerWaalsContact C-N 3.34Å; F11-Y13 PolarHBondContact O-N 2.88Å; Y13-E15 VanDerWaalsContact C-N 3.34Å; Y13-V16 PolarHBondContact O-N 3.46Å; Y13-F17 WeakPolarHBondContact O-CB 3.45Å; Y13-F17 PolarHBondContact O-N 3.12Å
14A94.8Very high91.4Very high48 Ų4861.7 Ų61.740%0.39733%0.334SS..Hα-helixtrans-63.6-40.4173.500000111.5T10 F11 L12 F17 L18T10-A14 PolarHBondContact O-N 3.24Å; F11-A14 WeakPolarHBondContact O-CB 3.47Å; F11-A14 PolarHBondContact O-N 3.42Å; F11-A14 VanDerWaalsContact O-N 3.13Å; L12-A14 VanDerWaalsContact C-N 3.32Å; L12-A14 PolarHBondContact O-N 2.86Å; A14-F17 PolarHBondContact O-N 3.19Å; A14-L18 WeakPolarHBondContact O-CB 3.28Å; A14-L18 VanDerWaalsContact O-CG 3.29Å; A14-L18 WeakPolarHBondContact O-CG 3.49Å; A14-L18 PolarHBondContact O-N 3.41Å
15E94.4Very high90.9Very high9 Ų963.4 Ų63.44%0.04235%0.354CS..Hα-helixtrans-64.3-47.2175.9-68.8-177.613600112.5F11 L12 Y13 F17 L18 V19 A108 L111 C112 L115F11-E15 HydrophobicContact CD1-CG 4.36Å; F11-E15 HydrophobicContact CE1-CG 4Å; F11-E15 WeakPolarHBondContact CE1-OE1 3.31Å; F11-E15 HydrophobicContact CZ-CG 4.06Å; F11-E15 WeakPolarHBondContact CZ-OE1 3.24Å; F11-E15 WeakPolarHBondContact O-CG 3.44Å; F11-E15 PolarHBondContact O-N 3.14Å; L12-E15 WeakPolarHBondContact O-CB 3.48Å; L12-E15 PolarHBondContact O-N 2.92Å; Y13-E15 VanDerWaalsContact C-N 3.34Å; E15-F17 VanDerWaalsContact C-N 3.29Å; E15-F17 PolarHBondContact O-N 2.92Å; E15-L18 PolarHBondContact O-N 3.33Å; E15-V19 WeakPolarHBondContact O-CG2 3.43Å; E15-V19 PolarHBondContact O-N 3.28Å; E15-A108 VanDerWaalsContact OE2-CA 3.28Å; E15-A108 WeakPolarHBondContact OE2-CA 3.34Å; E15-A108 VanDerWaalsContact OE2-O 3.06Å; E15-L111 HydrophobicContact CB-CB 4.18Å; E15-C112 WeakPolarHBondContact OE1-CA 3.4Å; E15-C112 WeakPolarHBondContact OE1-CB 3.27Å; E15-C112 PolarHBondContact OE1-N 2.98Å; E15-L115 HydrophobicContact CB-CD1 4.37Å
16V93.8Very high90.2Very high58 Ų5871 Ų7135%0.35239%0.387SS..Hα-helixtrans-57.7-46.4176.21720000110.1L12 Y13 L18 V19 L20 L111L12-V16 WeakPolarHBondContact O-CG2 3.36Å; L12-V16 PolarHBondContact O-N 2.81Å; Y13-V16 PolarHBondContact O-N 3.46Å; V16-L18 PolarHBondContact O-N 3.28Å; V16-V19 PolarHBondContact O-N 2.9Å; V16-L20 HydrophobicContact CG1-CD1 4.05Å; V16-L20 HydrophobicContact CG1-CG 4.46Å; V16-L20 WeakPolarHBondContact O-CB 3.36Å; V16-L20 VanDerWaalsContact O-CG 3.31Å; V16-L20 WeakPolarHBondContact O-CG 3.39Å; V16-L20 PolarHBondContact O-N 3.37Å; V16-L111 HydrophobicContact CG2-CD1 3.55Å
17F93.6Very high89.5Confident132 Ų13270 Ų7058%0.57938%0.381SS*.Hα-helixtrans-59.5-46.3176.8177.1-100.4000112Y13 A14 E15 L20 L21Y13-F17 WeakPolarHBondContact O-CB 3.45Å; Y13-F17 PolarHBondContact O-N 3.12Å; A14-F17 PolarHBondContact O-N 3.19Å; E15-F17 VanDerWaalsContact C-N 3.29Å; E15-F17 PolarHBondContact O-N 2.92Å; F17-L20 PolarHBondContact O-N 3.37Å; F17-L21 HydrophobicContact CE1-CD1 3.71Å; F17-L21 HydrophobicContact CZ-CD1 3.89Å; F17-L21 VanDerWaalsContact O-CB 3.25Å; F17-L21 WeakPolarHBondContact O-CB 3.34Å; F17-L21 PolarHBondContact O-N 3.12Å
18L90.4Very high88.8Confident73 Ų7369.4 Ų69.438%0.38237%0.373SS..Hα-helixtrans-64-43.6177.8-76.2172.5000112A14 E15 V16 L21 L22 L115A14-L18 WeakPolarHBondContact O-CB 3.28Å; A14-L18 VanDerWaalsContact O-CG 3.29Å; A14-L18 WeakPolarHBondContact O-CG 3.49Å; A14-L18 PolarHBondContact O-N 3.41Å; E15-L18 PolarHBondContact O-N 3.33Å; V16-L18 PolarHBondContact O-N 3.28Å; L18-L21 PolarHBondContact O-N 2.89Å; L18-L22 WeakPolarHBondContact O-CB 3.45Å; L18-L22 WeakPolarHBondContact O-CD1 3.37Å; L18-L22 PolarHBondContact O-N 2.95Å; L18-L115 HydrophobicContact CB-CD1 3.44Å; L18-L115 VanDerWaalsContact CB-CD1 3.44Å; L18-L115 HydrophobicContact CD1-CD1 4.08Å; L18-L115 HydrophobicContact CG-CD1 4.43Å
19V90.4Very high88Confident26 Ų2670 Ų7016%0.15838%0.377CS..Hα-helixtrans-60.4-48176.7169.70000110.3E15 V16 L21 L22 C23 L111 L115 L118E15-V19 WeakPolarHBondContact O-CG2 3.43Å; E15-V19 PolarHBondContact O-N 3.28Å; V16-V19 PolarHBondContact O-N 2.9Å; V19-L21 VanDerWaalsContact C-N 3.32Å; V19-L21 PolarHBondContact O-N 3.44Å; V19-L22 PolarHBondContact O-N 3.35Å; V19-C23 WeakPolarHBondContact O-CB 3.27Å; V19-C23 PolarHBondContact O-N 2.86Å; V19-C23 PolarHBondContact O-SG 2.84Å; V19-L111 HydrophobicContact CG2-CD2 4.32Å; V19-L115 HydrophobicContact CG2-CB 4.21Å; V19-L115 HydrophobicContact CG2-CD1 3.78Å; V19-L115 HydrophobicContact CG2-CG 4.22Å; V19-L118 HydrophobicContact CG1-CD1 4.35Å
20L90.4Very high87.3Confident111 Ų11173.8 Ų73.858%0.58139%0.392SS*.Hα-helixtrans-57.8-47.2176.2-72174.2000110.9V16 F17 L22 C23 I24V16-L20 HydrophobicContact CG1-CD1 4.05Å; V16-L20 HydrophobicContact CG1-CG 4.46Å; V16-L20 WeakPolarHBondContact O-CB 3.36Å; V16-L20 VanDerWaalsContact O-CG 3.31Å; V16-L20 WeakPolarHBondContact O-CG 3.39Å; V16-L20 PolarHBondContact O-N 3.37Å; F17-L20 PolarHBondContact O-N 3.37Å; L20-L22 PolarHBondContact O-N 3.36Å; L20-C23 PolarHBondContact O-N 3.28Å; L20-I24 WeakPolarHBondContact O-CG1 3.09Å; L20-I24 PolarHBondContact O-N 3.08Å
21L87.9Confident86.7Confident55 Ų5575.8 Ų75.829%0.28839%0.389SS..Hα-helixtrans-62.2-41.4-180-164.5169.1000111.8F17 L18 V19 I24 W32F17-L21 HydrophobicContact CE1-CD1 3.71Å; F17-L21 HydrophobicContact CZ-CD1 3.89Å; F17-L21 VanDerWaalsContact O-CB 3.25Å; F17-L21 WeakPolarHBondContact O-CB 3.34Å; F17-L21 PolarHBondContact O-N 3.12Å; L18-L21 PolarHBondContact O-N 2.89Å; V19-L21 VanDerWaalsContact C-N 3.32Å; V19-L21 PolarHBondContact O-N 3.44Å; L21-I24 PolarHBondContact O-N 3.04Å; L21-W32 HydrophobicContact CD2-CH2 3.31Å; L21-W32 HydrophobicContact CD2-CZ2 3.19Å
22L84.9Confident85.9Confident26 Ų2673.2 Ų73.214%0.13638%0.376CS..Hα-helixtrans-69.6-31.2175.7-89.983.7000113L18 V19 L20 I24 W32 F36 L122L18-L22 WeakPolarHBondContact O-CB 3.45Å; L18-L22 WeakPolarHBondContact O-CD1 3.37Å; L18-L22 PolarHBondContact O-N 2.95Å; V19-L22 PolarHBondContact O-N 3.35Å; L20-L22 PolarHBondContact O-N 3.36Å; L22-I24 VanDerWaalsContact C-N 3.33Å; L22-W32 HydrophobicContact CB-CZ2 4.49Å; L22-W32 HydrophobicContact CD1-CH2 3.67Å; L22-W32 HydrophobicContact CD1-CZ2 4.02Å; L22-W32 HydrophobicContact CD1-CZ3 4.27Å; L22-W32 HydrophobicContact CG-CH2 3.97Å; L22-W32 HydrophobicContact CG-CZ2 3.88Å; L22-W32 HydrophobicContact CG-CZ3 4.48Å; L22-F36 HydrophobicContact CD2-CZ 4.39Å; L22-L122 HydrophobicContact CD2-CD2 4.3Å
23C84.1Confident85Confident81 Ų8172.8 Ų72.855%0.54738%0.375SS..Hα-helixtrans-81.7-7.8179.5-72.50000113.9V19 L20 P25V19-C23 WeakPolarHBondContact O-CB 3.27Å; V19-C23 PolarHBondContact O-N 2.86Å; V19-C23 PolarHBondContact O-SG 2.84Å; L20-C23 PolarHBondContact O-N 3.28Å; C23-P25 WeakPolarHBondContact O-CD 3.35Å
24I86.2Confident84.2Confident78 Ų7874.8 Ų74.840%0.438%0.381SS..  trans-63.9123.9178.5-75.2165.2000110.3L20 L21 L22 F26 V27L20-I24 WeakPolarHBondContact O-CG1 3.09Å; L20-I24 PolarHBondContact O-N 3.08Å; L21-I24 PolarHBondContact O-N 3.04Å; L22-I24 VanDerWaalsContact C-N 3.33Å; I24-F26 HydrophobicContact CG2-CB 3.54Å; I24-F26 PolarHBondContact O-N 2.88Å; I24-F26 VanDerWaalsContact O-N 3.16Å; I24-V27 PolarHBondContact O-N 3.46Å
25P79Confident83.4Confident133 Ų13376.7 Ų76.786%0.86438%0.384SS*.THydrogen-bonded Turntrans-68.4-14.9-17928.3-35.8000113.4C23 V27C23-P25 WeakPolarHBondContact O-CD 3.35Å; P25-V27 VanDerWaalsContact C-N 3.3Å; P25-V27 PolarHBondContact O-N 3.36Å
26F74.1Confident82.5Confident164 Ų16478.3 Ų78.372%0.71939%0.391SS*.THydrogen-bonded Turntrans-70-23.5-179.1-169.1-104.7000113.5I24 R31I24-F26 HydrophobicContact CG2-CB 3.54Å; I24-F26 PolarHBondContact O-N 2.88Å; I24-F26 VanDerWaalsContact O-N 3.16Å; F26-R31 PolarHBondContact O-NH1 3.37Å
27V76.3Confident81.5Confident39 Ų3980.8 Ų80.824%0.23640%0.397CS..SBendtrans-101.1101.7-177.1-168.70000109.9I24 P25 R31 W32I24-V27 PolarHBondContact O-N 3.46Å; P25-V27 VanDerWaalsContact C-N 3.3Å; P25-V27 PolarHBondContact O-N 3.36Å; V27-R31 HydrophobicContact CG1-CB 4.01Å; V27-W32 HydrophobicContact CG1-CD2 4.41Å; V27-W32 HydrophobicContact CG1-CG 4.13Å; V27-W32 VanDerWaalsContact CG1-NE1 3.27Å
28S78.6Confident80.8Confident46 Ų4676.5 Ų76.532%0.32238%0.384SS..  trans-52.7141.1175.51710000112K30 R31 W32S28-K30 PolarHBondContact O-N 3.36Å; S28-K30 PolarHBondContact OG-N 2.94Å; S28-R31 WeakPolarHBondContact O-CB 3.31Å; S28-R31 PolarHBondContact O-N 3.41Å; S28-W32 PolarHBondContact O-N 3.42Å
29P77.5Confident80Confident25 Ų2583.4 Ų83.416%0.16240%0.404CS..Hα-helixtrans-52.2-29.5172.4-31.239.2000113.9R31 W32 S33 L122 A126 M129P29-R31 VanDerWaalsContact C-N 3.34Å; P29-R31 PolarHBondContact O-N 2.9Å; P29-W32 PolarHBondContact O-N 3.14Å; P29-S33 WeakPolarHBondContact O-CB 3.32Å; P29-S33 PolarHBondContact O-N 3.27Å; P29-L122 HydrophobicContact CB-CD1 3.77Å; P29-L122 HydrophobicContact CG-CD1 3.83Å; P29-A126 HydrophobicContact CB-CB 4.14Å; P29-A126 VanDerWaalsContact O-CB 3.26Å; P29-A126 WeakPolarHBondContact O-CB 3.31Å; P29-M129 HydrophobicContact CB-CE 3.8Å; P29-M129 HydrophobicContact CB-SD 4.43Å; P29-M129 HydrophobicContact CG-CE 3.58Å
30K77.8Confident79Confident92 Ų9288.9 Ų88.940%0.443%0.432SS..Hα-helixtrans-64.1-37.2175.6-66.3-173.9-178.4178.80112.5S28 R34 E133S28-K30 PolarHBondContact O-N 3.36Å; S28-K30 PolarHBondContact OG-N 2.94Å; K30-R34 PolarHBondContact O-N 2.91Å; K30-E133 IonicContact NZ-OE2 3.85Å; K30-E133 PolarHBondContact NZ-OE2 3.27Å
31R81.8Confident78.2Confident136 Ų13685.7 Ų85.751%0.51342%0.417SS..Hα-helixtrans-69-45.2177.3-64.7-178-177.6160.20.2110.3F26 V27 S28 P29 S33 R34 I35F26-R31 PolarHBondContact O-NH1 3.37Å; V27-R31 HydrophobicContact CG1-CB 4.01Å; S28-R31 WeakPolarHBondContact O-CB 3.31Å; S28-R31 PolarHBondContact O-N 3.41Å; P29-R31 VanDerWaalsContact C-N 3.34Å; P29-R31 PolarHBondContact O-N 2.9Å; R31-S33 VanDerWaalsContact C-N 3.35Å; R31-S33 PolarHBondContact O-N 3.1Å; R31-R34 WeakPolarHBondContact O-CB 3.44Å; R31-R34 PolarHBondContact O-N 3.43Å; R31-I35 WeakPolarHBondContact O-CG1 3.33Å; R31-I35 PolarHBondContact O-N 2.9Å
32W78.6Confident77.3Confident24 Ų2488.3 Ų88.39%0.09143%0.428CS..Hα-helixtrans-59.1-43174-82115.9000113.1L21 L22 V27 S28 P29 R34 I35 F36 L122L21-W32 HydrophobicContact CD2-CH2 3.31Å; L21-W32 HydrophobicContact CD2-CZ2 3.19Å; L22-W32 HydrophobicContact CB-CZ2 4.49Å; L22-W32 HydrophobicContact CD1-CH2 3.67Å; L22-W32 HydrophobicContact CD1-CZ2 4.02Å; L22-W32 HydrophobicContact CD1-CZ3 4.27Å; L22-W32 HydrophobicContact CG-CH2 3.97Å; L22-W32 HydrophobicContact CG-CZ2 3.88Å; L22-W32 HydrophobicContact CG-CZ3 4.48Å; V27-W32 HydrophobicContact CG1-CD2 4.41Å; V27-W32 HydrophobicContact CG1-CG 4.13Å; V27-W32 VanDerWaalsContact CG1-NE1 3.27Å; S28-W32 PolarHBondContact O-N 3.42Å; P29-W32 PolarHBondContact O-N 3.14Å; W32-R34 VanDerWaalsContact C-N 3.29Å; W32-R34 PolarHBondContact O-N 3.32Å; W32-I35 HydrophobicContact CE3-CD1 4.37Å; W32-I35 WeakPolarHBondContact O-CB 3.45Å; W32-I35 PolarHBondContact O-N 3.45Å; W32-I35 VanDerWaalsContact O-N 3.12Å; W32-F36 HydrophobicContact CB-CD2 4.43Å; W32-F36 HydrophobicContact CB-CE2 4.13Å; W32-F36 HydrophobicContact CD2-CZ 4.35Å; W32-F36 AromaticContact CE3-CE1 3.81Å; W32-F36 HydrophobicContact CE3-CE1 3.81Å; W32-F36 HydrophobicContact CE3-CE2 4.19Å; W32-F36 AromaticContact CE3-CZ 3.59Å; W32-F36 HydrophobicContact CE3-CZ 3.59Å; W32-F36 HydrophobicContact CZ3-CE1 4.04Å; W32-F36 HydrophobicContact CZ3-CZ 4.07Å; W32-F36 WeakPolarHBondContact O-CB 3.48Å; W32-F36 WeakPolarHBondContact O-CD2 3.35Å; W32-F36 VanDerWaalsContact O-CG 3.29Å; W32-F36 WeakPolarHBondContact O-CG 3.33Å; W32-F36 PolarHBondContact O-N 2.98Å; W32-L122 HydrophobicContact CB-CD2 3.6Å; W32-L122 HydrophobicContact CB-CG 4.01Å; W32-L122 HydrophobicContact CD2-CD2 3.96Å; W32-L122 HydrophobicContact CG-CD2 3.45Å; W32-L122 VanDerWaalsContact CG-CD2 3.45Å; W32-L122 HydrophobicContact CG-CG 4.33Å
33S75.9Confident76.6Confident10 Ų1091 Ų917%0.0745%0.445CS..Hα-helixtrans-60.8-37.8176-169.30000113.1P29 R31 I35 F36 K37P29-S33 WeakPolarHBondContact O-CB 3.32Å; P29-S33 PolarHBondContact O-N 3.27Å; R31-S33 VanDerWaalsContact C-N 3.35Å; R31-S33 PolarHBondContact O-N 3.1Å; S33-I35 VanDerWaalsContact C-N 3.33Å; S33-F36 PolarHBondContact O-N 3.45Å; S33-K37 VanDerWaalsContact O-CB 3.25Å; S33-K37 WeakPolarHBondContact O-CB 3.44Å; S33-K37 VanDerWaalsContact O-CG 3.26Å; S33-K37 WeakPolarHBondContact O-CG 3.44Å; S33-K37 PolarHBondContact O-N 2.92Å
34R78.2Confident76Confident204 Ų20491.9 Ų91.977%0.7745%0.448SS*.Hα-helixtrans-64.2-40.6175.4-170.1-178.9-68.4165.8-3.4111.5K30 R31 W32 S38K30-R34 PolarHBondContact O-N 2.91Å; R31-R34 WeakPolarHBondContact O-CB 3.44Å; R31-R34 PolarHBondContact O-N 3.43Å; W32-R34 VanDerWaalsContact C-N 3.29Å; W32-R34 PolarHBondContact O-N 3.32Å; R34-S38 PolarHBondContact O-N 3.13Å
35I78.1Confident75.3Confident88 Ų8890.7 Ų90.745%0.45145%0.45SS..Hα-helixtrans-66.2-46.7175.6-62.6166.9000110.1R31 W32 S33 K37 S38 V41R31-I35 WeakPolarHBondContact O-CG1 3.33Å; R31-I35 PolarHBondContact O-N 2.9Å; W32-I35 HydrophobicContact CE3-CD1 4.37Å; W32-I35 WeakPolarHBondContact O-CB 3.45Å; W32-I35 PolarHBondContact O-N 3.45Å; W32-I35 VanDerWaalsContact O-N 3.12Å; S33-I35 VanDerWaalsContact C-N 3.33Å; I35-K37 VanDerWaalsContact C-N 3.32Å; I35-K37 PolarHBondContact O-N 2.89Å; I35-S38 VanDerWaalsContact O-CB 3.25Å; I35-S38 WeakPolarHBondContact O-CB 3.47Å; I35-S38 PolarHBondContact O-N 3.32Å; I35-S38 VanDerWaalsContact O-N 3.12Å; I35-S38 PolarHBondContact O-OG 3.44Å; I35-V41 VanDerWaalsContact O-CG2 3.29Å; I35-V41 WeakPolarHBondContact O-CG2 3.44Å
36F74.4Confident74.8Confident43 Ų4390.6 Ų90.619%0.18944%0.441CS..Hα-helixtrans-67.4-27.8180-65.2-29.7000114.3L22 W32 S33 S38 V41 A119 L122L22-F36 HydrophobicContact CD2-CZ 4.39Å; W32-F36 HydrophobicContact CB-CD2 4.43Å; W32-F36 HydrophobicContact CB-CE2 4.13Å; W32-F36 HydrophobicContact CD2-CZ 4.35Å; W32-F36 AromaticContact CE3-CE1 3.81Å; W32-F36 HydrophobicContact CE3-CE1 3.81Å; W32-F36 HydrophobicContact CE3-CE2 4.19Å; W32-F36 AromaticContact CE3-CZ 3.59Å; W32-F36 HydrophobicContact CE3-CZ 3.59Å; W32-F36 HydrophobicContact CZ3-CE1 4.04Å; W32-F36 HydrophobicContact CZ3-CZ 4.07Å; W32-F36 WeakPolarHBondContact O-CB 3.48Å; W32-F36 WeakPolarHBondContact O-CD2 3.35Å; W32-F36 VanDerWaalsContact O-CG 3.29Å; W32-F36 WeakPolarHBondContact O-CG 3.33Å; W32-F36 PolarHBondContact O-N 2.98Å; S33-F36 PolarHBondContact O-N 3.45Å; F36-S38 VanDerWaalsContact C-N 3.32Å; F36-V41 HydrophobicContact CB-CG1 4.47Å; F36-V41 HydrophobicContact CD1-CG1 4.19Å; F36-V41 WeakPolarHBondContact O-CG1 3.45Å; F36-A119 HydrophobicContact CZ-CB 4.39Å; F36-L122 HydrophobicContact CE2-CB 4.26Å; F36-L122 HydrophobicContact CE2-CD2 3.89Å; F36-L122 HydrophobicContact CE2-CG 4.26Å; F36-L122 HydrophobicContact CZ-CD2 4.32Å
37K72.4Confident75.1Confident111 Ų11189.6 Ų89.648%0.48343%0.434SS..THydrogen-bonded Turntrans-86.3-0.6174.5-70.9177.6178177.50113.3S33 I35S33-K37 VanDerWaalsContact O-CB 3.25Å; S33-K37 WeakPolarHBondContact O-CB 3.44Å; S33-K37 VanDerWaalsContact O-CG 3.26Å; S33-K37 WeakPolarHBondContact O-CG 3.44Å; S33-K37 PolarHBondContact O-N 2.92Å; I35-K37 VanDerWaalsContact C-N 3.32Å; I35-K37 PolarHBondContact O-N 2.89Å
38S80.6Confident75.3Confident42 Ų4288.6 Ų88.629%0.29443%0.432SS..SBendtrans-65.6148.1175.171.10000110.8R34 I35 F36 L40 V41 Q42R34-S38 PolarHBondContact O-N 3.13Å; I35-S38 VanDerWaalsContact O-CB 3.25Å; I35-S38 WeakPolarHBondContact O-CB 3.47Å; I35-S38 PolarHBondContact O-N 3.32Å; I35-S38 VanDerWaalsContact O-N 3.12Å; I35-S38 PolarHBondContact O-OG 3.44Å; F36-S38 VanDerWaalsContact C-N 3.32Å; S38-L40 PolarHBondContact O-N 3.48Å; S38-V41 PolarHBondContact O-N 2.83Å; S38-V41 WeakPolarHBondContact OG-CG2 3.38Å; S38-V41 PolarHBondContact OG-N 3.42Å; S38-Q42 PolarHBondContact O-N 2.94Å
39R72.7Confident75.5Confident217 Ų21790 Ų9082%0.81944%0.436SS*.Hα-helixtrans-54.7-38.8-178-70.4-176.6172175.8-2.8112.3Q42 T43R39-Q42 PolarHBondContact O-N 2.92Å; R39-T43 PolarHBondContact O-N 3.32Å; R39-T43 VanDerWaalsContact O-N 3.08Å; R39-T43 PolarHBondContact O-OG1 3.15Å; R39-T43 VanDerWaalsContact O-OG1 3.07Å
40L70.1Confident75.9Confident141 Ų14193.3 Ų93.374%0.73846%0.455SS*.Hα-helixtrans-61.9-46.6176.4-66.2175.3000111.9S38 T43 V44S38-L40 PolarHBondContact O-N 3.48Å; L40-T43 PolarHBondContact O-N 3.43Å; L40-V44 VanDerWaalsContact O-CG2 3.29Å; L40-V44 WeakPolarHBondContact O-CG2 3.18Å; L40-V44 PolarHBondContact O-N 2.89Å
41V72.4Confident76.4Confident44 Ų4497.7 Ų97.727%0.26747%0.469SS..Hα-helixtrans-73-30.5-179.1-179.30000111.8I35 F36 S38 V44 A45I35-V41 VanDerWaalsContact O-CG2 3.29Å; I35-V41 WeakPolarHBondContact O-CG2 3.44Å; F36-V41 HydrophobicContact CB-CG1 4.47Å; F36-V41 HydrophobicContact CD1-CG1 4.19Å; F36-V41 WeakPolarHBondContact O-CG1 3.45Å; S38-V41 PolarHBondContact O-N 2.83Å; S38-V41 WeakPolarHBondContact OG-CG2 3.38Å; S38-V41 PolarHBondContact OG-N 3.42Å; V41-V44 CarbonylContact O-C 3.6Å; V41-V44 PolarHBondContact O-N 3.02Å; V41-A45 VanDerWaalsContact O-CB 3.23Å; V41-A45 WeakPolarHBondContact O-CB 3.25Å; V41-A45 PolarHBondContact O-N 3.15Å
42Q70.7Confident76.7Confident111 Ų11193 Ų9352%0.51945%0.453SS..Hα-helixtrans-65.7-41.6172.3-76.4-177.5-38.700112.5S38 R39 A45 L46S38-Q42 PolarHBondContact O-N 2.94Å; R39-Q42 PolarHBondContact O-N 2.92Å; Q42-A45 PolarHBondContact O-N 2.99Å; Q42-L46 PolarHBondContact O-N 2.91Å
43T69.6Low77.2Confident81 Ų8197.4 Ų97.450%0.49748%0.476SS..Hα-helixtrans-63.1-45.1172.9-54.30000110.9R39 L40 A45 L46 Y47R39-T43 PolarHBondContact O-N 3.32Å; R39-T43 VanDerWaalsContact O-N 3.08Å; R39-T43 PolarHBondContact O-OG1 3.15Å; R39-T43 VanDerWaalsContact O-OG1 3.07Å; L40-T43 PolarHBondContact O-N 3.43Å; T43-A45 VanDerWaalsContact C-N 3.29Å; T43-A45 PolarHBondContact O-N 3.19Å; T43-L46 PolarHBondContact O-N 2.9Å; T43-Y47 HydrophobicContact CG2-CD2 4.09Å; T43-Y47 HydrophobicContact CG2-CE2 4.13Å; T43-Y47 WeakPolarHBondContact O-CD2 3.41Å; T43-Y47 PolarHBondContact O-N 2.92Å
44V71Confident78Confident101 Ų101100.2 Ų100.261%0.61249%0.492SS*.Hα-helixtrans-62.6-35175171.90000111.6L40 V41 G48L40-V44 VanDerWaalsContact O-CG2 3.29Å; L40-V44 WeakPolarHBondContact O-CG2 3.18Å; L40-V44 PolarHBondContact O-N 2.89Å; V41-V44 CarbonylContact O-C 3.6Å; V41-V44 PolarHBondContact O-N 3.02Å; V44-G48 WeakPolarHBondContact O-CA 3.47Å; V44-G48 PolarHBondContact O-N 2.9Å
45A71.3Confident78.6Confident53 Ų5392 Ų9244%0.43847%0.468SS..Hα-helixtrans-70.6-35.617900000112.5V41 Q42 T43 G48 N49V41-A45 VanDerWaalsContact O-CB 3.23Å; V41-A45 WeakPolarHBondContact O-CB 3.25Å; V41-A45 PolarHBondContact O-N 3.15Å; Q42-A45 PolarHBondContact O-N 2.99Å; T43-A45 VanDerWaalsContact C-N 3.29Å; T43-A45 PolarHBondContact O-N 3.19Å; A45-G48 PolarHBondContact O-N 3.35Å; A45-N49 PolarHBondContact O-N 3.43Å
46L69.9Low79.3Confident130 Ų13089.2 Ų89.268%0.68145%0.453SS*.Hα-helixtrans-70.4-47.6-178.5-159.9136000111.6Q42 T43 G48Q42-L46 PolarHBondContact O-N 2.91Å; T43-L46 PolarHBondContact O-N 2.9Å; L46-G48 VanDerWaalsContact C-N 3.34Å
47Y78.7Confident80.3Confident144 Ų14489.2 Ų89.257%0.56546%0.462SS*.Hα-helixtrans-76.7-25.1171.5-68.5-75.6000112.4T43 N49 T50 W51T43-Y47 HydrophobicContact CG2-CD2 4.09Å; T43-Y47 HydrophobicContact CG2-CE2 4.13Å; T43-Y47 WeakPolarHBondContact O-CD2 3.41Å; T43-Y47 PolarHBondContact O-N 2.92Å; Y47-N49 VanDerWaalsContact C-N 3.28Å; Y47-N49 PolarHBondContact O-N 3.36Å; Y47-T50 PolarHBondContact O-N 3.09Å; Y47-T50 VanDerWaalsContact O-N 3.16Å; Y47-W51 PolarHBondContact O-N 3.1Å
48G80.2Confident81.4Confident18 Ų1888.4 Ų88.419%0.18646%0.462CS..Hα-helixtrans-64.8-29-173.200000113.3V44 A45 L46 F52V44-G48 WeakPolarHBondContact O-CA 3.47Å; V44-G48 PolarHBondContact O-N 2.9Å; A45-G48 PolarHBondContact O-N 3.35Å; L46-G48 VanDerWaalsContact C-N 3.34Å; G48-F52 WeakPolarHBondContact O-CA 3.31Å; G48-F52 WeakPolarHBondContact O-CB 3.34Å; G48-F52 PolarHBondContact O-N 2.6Å
49N83.4Confident82Confident76 Ų7686.8 Ų86.841%0.40645%0.45SS..Hα-helixtrans-65.1-43.2175-165.363.9000111.8A45 Y47 M53 R116A45-N49 PolarHBondContact O-N 3.43Å; Y47-N49 VanDerWaalsContact C-N 3.28Å; Y47-N49 PolarHBondContact O-N 3.36Å; N49-M53 WeakPolarHBondContact O-CG 3.42Å; N49-M53 PolarHBondContact O-N 2.9Å; N49-R116 PolarHBondContact OD1-NH2 3.06Å; N49-R116 VanDerWaalsContact OD1-NH2 3.12Å
50T85.6Confident83.1Confident93 Ų9379.2 Ų79.257%0.57143%0.427SS*.Hα-helixtrans-67.8-47.7177.3-49.20000110.9Y47 F52 M53 V54Y47-T50 PolarHBondContact O-N 3.09Å; Y47-T50 VanDerWaalsContact O-N 3.16Å; T50-F52 VanDerWaalsContact C-N 3.29Å; T50-F52 PolarHBondContact O-N 2.86Å; T50-M53 PolarHBondContact O-N 3.44Å; T50-V54 WeakPolarHBondContact O-CG2 3.29Å; T50-V54 PolarHBondContact O-N 3.33Å
51W88Confident84.3Confident184 Ų18479.8 Ų79.870%0.69742%0.424SS*.Hα-helixtrans-61.2-37.4176.5-74.5110.6000112.6Y47 V54 A55Y47-W51 PolarHBondContact O-N 3.1Å; W51-V54 PolarHBondContact O-N 3.46Å; W51-A55 WeakPolarHBondContact O-CB 3.45Å; W51-A55 PolarHBondContact O-N 3.05Å
52F88.5Confident85.2Confident38 Ų3879.1 Ų79.117%0.16742%0.419CS..Hα-helixtrans-64.5-45.2175.9-177.6-95.9000111.8G48 T50 V54 A55 I56 C112 L113 R116G48-F52 WeakPolarHBondContact O-CA 3.31Å; G48-F52 WeakPolarHBondContact O-CB 3.34Å; G48-F52 PolarHBondContact O-N 2.6Å; T50-F52 VanDerWaalsContact C-N 3.29Å; T50-F52 PolarHBondContact O-N 2.86Å; F52-V54 VanDerWaalsContact C-N 3.32Å; F52-V54 PolarHBondContact O-N 3.25Å; F52-A55 PolarHBondContact O-N 3.24Å; F52-I56 HydrophobicContact CD1-CG1 4.12Å; F52-I56 HydrophobicContact CE1-CD1 4.34Å; F52-I56 HydrophobicContact CE1-CG1 3.82Å; F52-I56 HydrophobicContact CZ-CD1 4.14Å; F52-I56 HydrophobicContact CZ-CG1 4.08Å; F52-I56 VanDerWaalsContact O-CG1 3.31Å; F52-I56 WeakPolarHBondContact O-CG1 3.4Å; F52-I56 PolarHBondContact O-N 3.04Å; F52-C112 HydrophobicContact CE2-CB 4.48Å; F52-C112 WeakPolarHBondContact CE2-SG 3.37Å; F52-L113 HydrophobicContact CE1-CD2 4.28Å; F52-L113 HydrophobicContact CZ-CD2 4.01Å; F52-R116 HydrophobicContact CE1-CB 4.45Å; F52-R116 HydrophobicContact CE1-CG 4.18Å; F52-R116 HydrophobicContact CE2-CB 3.71Å; F52-R116 HydrophobicContact CE2-CG 4.14Å; F52-R116 HydrophobicContact CZ-CB 3.62Å; F52-R116 HydrophobicContact CZ-CG 3.83Å
53M89.8Confident86.4Confident117 Ų11776.2 Ų76.258%0.57641%0.407SS*.Hα-helixtrans-61.5-41.4176.1-73.7-63.1-170.700112.1N49 T50 I56 A57N49-M53 WeakPolarHBondContact O-CG 3.42Å; N49-M53 PolarHBondContact O-N 2.9Å; T50-M53 PolarHBondContact O-N 3.44Å; M53-I56 PolarHBondContact O-N 3.3Å; M53-A57 WeakPolarHBondContact O-CB 3.4Å; M53-A57 PolarHBondContact O-N 2.87Å
54V92.5Very high87.5Confident69 Ų6977.1 Ų77.142%0.41841%0.407SS..Hα-helixtrans-63.7-44.9174.8173.20000111T50 W51 F52 I56 A57 I58T50-V54 WeakPolarHBondContact O-CG2 3.29Å; T50-V54 PolarHBondContact O-N 3.33Å; W51-V54 PolarHBondContact O-N 3.46Å; F52-V54 VanDerWaalsContact C-N 3.32Å; F52-V54 PolarHBondContact O-N 3.25Å; V54-I56 PolarHBondContact O-N 3.45Å; V54-A57 PolarHBondContact O-N 2.85Å; V54-I58 HydrophobicContact CG1-CD1 3.83Å; V54-I58 HydrophobicContact CG1-CG1 4.48Å; V54-I58 WeakPolarHBondContact O-CG1 3.39Å; V54-I58 PolarHBondContact O-N 3.47Å
55A91.1Very high88.6Confident30 Ų3075 Ų7525%0.24839%0.393CS..Hα-helixtrans-61.2-43.1177.300000112W51 F52 I58 L59W51-A55 WeakPolarHBondContact O-CB 3.45Å; W51-A55 PolarHBondContact O-N 3.05Å; F52-A55 PolarHBondContact O-N 3.24Å; A55-I58 PolarHBondContact O-N 3.43Å; A55-L59 WeakPolarHBondContact O-CB 3.42Å; A55-L59 VanDerWaalsContact O-CG 3.31Å; A55-L59 WeakPolarHBondContact O-CG 3.48Å; A55-L59 PolarHBondContact O-N 3.39Å
56I93.5Very high89.5Confident30 Ų3072.5 Ų72.515%0.15437%0.372CS..Hα-helixtrans-61.5-46174.6-69.4-67.3000110.8F52 M53 V54 I58 L59 V60 C112 L113F52-I56 HydrophobicContact CD1-CG1 4.12Å; F52-I56 HydrophobicContact CE1-CD1 4.34Å; F52-I56 HydrophobicContact CE1-CG1 3.82Å; F52-I56 HydrophobicContact CZ-CD1 4.14Å; F52-I56 HydrophobicContact CZ-CG1 4.08Å; F52-I56 VanDerWaalsContact O-CG1 3.31Å; F52-I56 WeakPolarHBondContact O-CG1 3.4Å; F52-I56 PolarHBondContact O-N 3.04Å; M53-I56 PolarHBondContact O-N 3.3Å; V54-I56 PolarHBondContact O-N 3.45Å; I56-I58 VanDerWaalsContact C-N 3.34Å; I56-I58 PolarHBondContact O-N 3.35Å; I56-L59 PolarHBondContact O-N 3.03Å; I56-V60 HydrophobicContact CG2-CG2 4.28Å; I56-V60 WeakPolarHBondContact O-CB 3.09Å; I56-V60 VanDerWaalsContact O-CG2 3.27Å; I56-V60 WeakPolarHBondContact O-CG2 3.36Å; I56-V60 PolarHBondContact O-N 3.34Å; I56-C112 HydrophobicContact CD1-CB 4.23Å; I56-L113 HydrophobicContact CD1-CD2 3.85Å; I56-L113 HydrophobicContact CD1-CG 4.21Å
57A95.2Very high90.5Very high44 Ų4470.4 Ų70.436%0.36436%0.358SS..Hα-helixtrans-58.4-46.9177.400000111.2M53 V54 L59 V60 F61M53-A57 WeakPolarHBondContact O-CB 3.4Å; M53-A57 PolarHBondContact O-N 2.87Å; V54-A57 PolarHBondContact O-N 2.85Å; A57-L59 PolarHBondContact O-N 3.26Å; A57-V60 PolarHBondContact O-N 3.45Å; A57-F61 WeakPolarHBondContact O-CD2 3.25Å; A57-F61 PolarHBondContact O-N 2.94Å
58I94.1Very high91.1Very high94 Ų9471.6 Ų71.648%0.48236%0.361SS..Hα-helixtrans-60.3-46.1177.1-67.6166.9000111.2V54 A55 I56 V60 F61 L62V54-I58 HydrophobicContact CG1-CD1 3.83Å; V54-I58 HydrophobicContact CG1-CG1 4.48Å; V54-I58 WeakPolarHBondContact O-CG1 3.39Å; V54-I58 PolarHBondContact O-N 3.47Å; A55-I58 PolarHBondContact O-N 3.43Å; I56-I58 VanDerWaalsContact C-N 3.34Å; I56-I58 PolarHBondContact O-N 3.35Å; I58-V60 VanDerWaalsContact C-N 3.34Å; I58-V60 PolarHBondContact O-N 2.9Å; I58-F61 PolarHBondContact O-N 3.22Å; I58-L62 HydrophobicContact CG2-CD1 3.95Å; I58-L62 HydrophobicContact CG2-CG 4.43Å; I58-L62 WeakPolarHBondContact O-CG 3.25Å; I58-L62 PolarHBondContact O-N 3.39Å
59L93.4Very high91.5Very high8 Ų873.2 Ų73.24%0.04236%0.364CS..Hα-helixtrans-63.4-39.4178.6-73.6170.6000112V8 F11 A55 I56 A57 L62 L63 A108 L109V8-L59 HydrophobicContact CG1-CD2 4.03Å; F11-L59 HydrophobicContact CE1-CD1 3.9Å; A55-L59 WeakPolarHBondContact O-CB 3.42Å; A55-L59 VanDerWaalsContact O-CG 3.31Å; A55-L59 WeakPolarHBondContact O-CG 3.48Å; A55-L59 PolarHBondContact O-N 3.39Å; I56-L59 PolarHBondContact O-N 3.03Å; A57-L59 PolarHBondContact O-N 3.26Å; L59-L62 PolarHBondContact O-N 3.01Å; L59-L63 VanDerWaalsContact O-CB 3.24Å; L59-L63 WeakPolarHBondContact O-CB 3.32Å; L59-L63 PolarHBondContact O-N 3.4Å; L59-A108 HydrophobicContact CD2-CB 4.07Å; L59-L109 HydrophobicContact CB-CB 4.43Å
60V95.7Very high91.7Very high57 Ų5770.1 Ų70.135%0.34535%0.349SS..Hα-helixtrans-64.2-45.1174.5170.60000110.8I56 A57 I58 L62 L63 I64 L109I56-V60 HydrophobicContact CG2-CG2 4.28Å; I56-V60 WeakPolarHBondContact O-CB 3.09Å; I56-V60 VanDerWaalsContact O-CG2 3.27Å; I56-V60 WeakPolarHBondContact O-CG2 3.36Å; I56-V60 PolarHBondContact O-N 3.34Å; A57-V60 PolarHBondContact O-N 3.45Å; I58-V60 VanDerWaalsContact C-N 3.34Å; I58-V60 PolarHBondContact O-N 2.9Å; V60-L62 PolarHBondContact O-N 2.95Å; V60-L63 PolarHBondContact O-N 3.46Å; V60-I64 HydrophobicContact CG1-CD1 3.86Å; V60-I64 HydrophobicContact CG1-CG1 4.49Å; V60-I64 VanDerWaalsContact O-CG1 3.29Å; V60-I64 WeakPolarHBondContact O-CG1 3.3Å; V60-I64 PolarHBondContact O-N 2.9Å; V60-L109 HydrophobicContact CG2-CD1 3.62Å
61F95.3Very high91.7Very high154 Ų15473 Ų7368%0.67535%0.349SS*.Hα-helixtrans-60-45176.1-86.5-68.2000112A57 I58 I64 D65A57-F61 WeakPolarHBondContact O-CD2 3.25Å; A57-F61 PolarHBondContact O-N 2.94Å; I58-F61 PolarHBondContact O-N 3.22Å; F61-I64 PolarHBondContact O-N 3.26Å; F61-D65 PolarHBondContact O-N 3.05Å
62L92.6Very high91.6Very high30 Ų3070.4 Ų70.416%0.15734%0.343CS..Hα-helixtrans-67-36.7177.5-70.7174.4000112.4W5 V8 I58 L59 V60 D65 A66W5-L62 HydrophobicContact CH2-CB 4.16Å; V8-L62 HydrophobicContact CG2-CD1 3.61Å; I58-L62 HydrophobicContact CG2-CD1 3.95Å; I58-L62 HydrophobicContact CG2-CG 4.43Å; I58-L62 WeakPolarHBondContact O-CG 3.25Å; I58-L62 PolarHBondContact O-N 3.39Å; L59-L62 PolarHBondContact O-N 3.01Å; V60-L62 PolarHBondContact O-N 2.95Å; L62-D65 PolarHBondContact O-N 3.44Å; L62-A66 WeakPolarHBondContact O-CB 3.4Å; L62-A66 PolarHBondContact O-N 3.02Å
63L94.1Very high91.2Very high49 Ų4970.3 Ų70.326%0.25734%0.342SS..Hα-helixtrans-63.3-44.3174.4-175.966.5000110.9L59 V60 A66 F67 E102 A105 L109L59-L63 VanDerWaalsContact O-CB 3.24Å; L59-L63 WeakPolarHBondContact O-CB 3.32Å; L59-L63 PolarHBondContact O-N 3.4Å; V60-L63 PolarHBondContact O-N 3.46Å; L63-A66 PolarHBondContact O-N 3.46Å; L63-F67 WeakPolarHBondContact O-CB 3.4Å; L63-F67 PolarHBondContact O-N 2.98Å; L63-E102 HydrophobicContact CD1-CG 4.04Å; L63-A105 HydrophobicContact CB-CB 4.25Å; L63-A105 HydrophobicContact CD1-CB 4.11Å; L63-L109 HydrophobicContact CD2-CD1 4.17Å
64I94.7Very high90.7Very high100 Ų10067.9 Ų67.951%0.51334%0.336SS..Hα-helixtrans-63.7-42.8175.9-67.8166.8000110.8V60 F61 F67 R68V60-I64 HydrophobicContact CG1-CD1 3.86Å; V60-I64 HydrophobicContact CG1-CG1 4.49Å; V60-I64 VanDerWaalsContact O-CG1 3.29Å; V60-I64 WeakPolarHBondContact O-CG1 3.3Å; V60-I64 PolarHBondContact O-N 2.9Å; F61-I64 PolarHBondContact O-N 3.26Å; I64-F67 PolarHBondContact O-N 3.26Å; I64-R68 VanDerWaalsContact O-CB 3.27Å; I64-R68 WeakPolarHBondContact O-CB 3.5Å; I64-R68 PolarHBondContact O-N 3.16Å
65D92.1Very high89.5Confident58 Ų5870.4 Ų70.431%0.3135%0.347SS..Hα-helixtrans-64.5-46.1178.6-169.758.1000111.6F61 L62 F67 R68 E69F61-D65 PolarHBondContact O-N 3.05Å; L62-D65 PolarHBondContact O-N 3.44Å; D65-F67 PolarHBondContact O-N 2.95Å; D65-R68 PolarHBondContact O-N 3.24Å; D65-R68 IonicContact OD1-NH2 3.43Å; D65-R68 PolarHBondContact OD1-NH2 2.94Å; D65-E69 VanDerWaalsContact O-CB 3.3Å; D65-E69 WeakPolarHBondContact O-CB 3.26Å; D65-E69 PolarHBondContact O-N 3.02Å
66A90.7Very high88.1Confident0 Ų071.9 Ų71.90%035%0.352CS..Hα-helixtrans-62-41.3174.900000112.5W5 L62 L63 E69 A70 N101 E102W5-A66 HydrophobicContact CH2-CB 3.7Å; W5-A66 HydrophobicContact CZ2-CB 4.1Å; L62-A66 WeakPolarHBondContact O-CB 3.4Å; L62-A66 PolarHBondContact O-N 3.02Å; L63-A66 PolarHBondContact O-N 3.46Å; A66-E69 PolarHBondContact O-N 3.41Å; A66-A70 VanDerWaalsContact O-CB 3.3Å; A66-A70 WeakPolarHBondContact O-CB 3.49Å; A66-A70 PolarHBondContact O-N 3.42Å; A66-N101 HydrophobicContact CB-CB 4.3Å; A66-E102 HydrophobicContact CB-CB 4.08Å
67F91.4Very high86.3Confident86 Ų8673.7 Ų73.738%0.37736%0.362SS..Hα-helixtrans-65.3-41.9176.9-173.5-107.5000112L63 I64 D65 E69 A70 R71 E102L63-F67 WeakPolarHBondContact O-CB 3.4Å; L63-F67 PolarHBondContact O-N 2.98Å; I64-F67 PolarHBondContact O-N 3.26Å; D65-F67 PolarHBondContact O-N 2.95Å; F67-E69 VanDerWaalsContact C-N 3.34Å; F67-A70 PolarHBondContact O-N 3.12Å; F67-R71 HydrophobicContact CE1-CG 4.37Å; F67-R71 VanDerWaalsContact CE1-CZ 3.45Å; F67-R71 WeakPolarHBondContact O-CB 3.44Å; F67-R71 PolarHBondContact O-N 3.45Å; F67-E102 WeakPolarHBondContact CD2-OE1 3.46Å
68R91.2Very high84.4Confident168 Ų16880.4 Ų80.463%0.63438%0.383SS*.Hα-helixtrans-64.6-41.4175-170.9-179.168.1149.8-1.9110.8I64 D65 R71 K72I64-R68 VanDerWaalsContact O-CB 3.27Å; I64-R68 WeakPolarHBondContact O-CB 3.5Å; I64-R68 PolarHBondContact O-N 3.16Å; D65-R68 PolarHBondContact O-N 3.24Å; D65-R68 IonicContact OD1-NH2 3.43Å; D65-R68 PolarHBondContact OD1-NH2 2.94Å; R68-R71 PolarHBondContact O-N 3.49Å; R68-K72 VanDerWaalsContact O-CB 3.25Å; R68-K72 WeakPolarHBondContact O-CB 3.25Å; R68-K72 PolarHBondContact O-N 2.69Å
69E87.8Confident82.6Confident53 Ų5381.2 Ų81.225%0.24839%0.392CS..Hα-helixtrans-65.1-42.6176.9-164.3171.7-156.800111.3D65 A66 F67 K72 Y73 A98D65-E69 VanDerWaalsContact O-CB 3.3Å; D65-E69 WeakPolarHBondContact O-CB 3.26Å; D65-E69 PolarHBondContact O-N 3.02Å; A66-E69 PolarHBondContact O-N 3.41Å; F67-E69 VanDerWaalsContact C-N 3.34Å; E69-K72 PolarHBondContact O-N 3.32Å; E69-Y73 HydrophobicContact CG-CD2 3.7Å; E69-Y73 HydrophobicContact CG-CE2 3.36Å; E69-Y73 WeakPolarHBondContact O-CD2 3.26Å; E69-Y73 PolarHBondContact O-N 3.08Å; E69-A98 HydrophobicContact CB-CB 4.08Å; E69-A98 HydrophobicContact CG-CB 4.04Å
70A87.7Confident80.8Confident11 Ų1188.4 Ų88.49%0.09143%0.431CS..Hα-helixtrans-62.5-46.7175.200000111.7A66 F67 S74 L95 A98A66-A70 VanDerWaalsContact O-CB 3.3Å; A66-A70 WeakPolarHBondContact O-CB 3.49Å; A66-A70 PolarHBondContact O-N 3.42Å; F67-A70 PolarHBondContact O-N 3.12Å; A70-S74 WeakPolarHBondContact O-CB 3.49Å; A70-S74 PolarHBondContact O-N 2.76Å; A70-L95 WeakPolarHBondContact O-CD1 3.35Å; A70-A98 HydrophobicContact CB-CB 3.99Å
71R86.9Confident79Confident153 Ų15387 Ų8758%0.57742%0.422SS*.Hα-helixtrans-63.8-41.2175.4-78.2-167.8174.8-165.70.2112.7F67 R68 S74 L75F67-R71 HydrophobicContact CE1-CG 4.37Å; F67-R71 VanDerWaalsContact CE1-CZ 3.45Å; F67-R71 WeakPolarHBondContact O-CB 3.44Å; F67-R71 PolarHBondContact O-N 3.45Å; R68-R71 PolarHBondContact O-N 3.49Å; R71-S74 PolarHBondContact O-N 3.04Å; R71-L75 WeakPolarHBondContact O-CG 3.4Å; R71-L75 PolarHBondContact O-N 3.13Å
72K85.4Confident77.2Confident129 Ų12986.2 Ų86.256%0.56143%0.431SS*.Hα-helixtrans-58.6-51.7178.9-178.9-179.2178.2-177.90110.7R68 E69 T76R68-K72 VanDerWaalsContact O-CB 3.25Å; R68-K72 WeakPolarHBondContact O-CB 3.25Å; R68-K72 PolarHBondContact O-N 2.69Å; E69-K72 PolarHBondContact O-N 3.32Å; K72-T76 PolarHBondContact O-N 3.42Å; K72-T76 PolarHBondContact O-OG1 3.41Å
73Y81Confident75.8Confident37 Ų3792.4 Ų92.415%0.14546%0.464CS..Hα-helixtrans-77.4-19.9-178.8-64.1-61.9000113.5E69 K94E69-Y73 HydrophobicContact CG-CD2 3.7Å; E69-Y73 HydrophobicContact CG-CE2 3.36Å; E69-Y73 WeakPolarHBondContact O-CD2 3.26Å; E69-Y73 PolarHBondContact O-N 3.08Å; Y73-K94 HydrophobicContact CD1-CB 4.36Å; Y73-K94 HydrophobicContact CD1-CD 4.49Å; Y73-K94 HydrophobicContact CD2-CB 3.98Å; Y73-K94 HydrophobicContact CE1-CB 4.39Å; Y73-K94 HydrophobicContact CE1-CD 3.82Å; Y73-K94 HydrophobicContact CE2-CB 3.98Å; Y73-K94 HydrophobicContact CE2-CD 4.21Å; Y73-K94 HydrophobicContact CG-CB 4.19Å
74S78.8Confident74.4Confident66 Ų6694 Ų9446%0.46247%0.473SS..Hα-helixtrans-76.1-31173.7177.10000113.4A70 R71A70-S74 WeakPolarHBondContact O-CB 3.49Å; A70-S74 PolarHBondContact O-N 2.76Å; R71-S74 PolarHBondContact O-N 3.04Å
75L66.4Low73.2Confident122 Ų12293.9 Ų93.964%0.63948%0.478SS*.Hα-helixtrans-88.9-24.4-179.5-68.5172.6000113.4R71 D77 K78R71-L75 WeakPolarHBondContact O-CG 3.4Å; R71-L75 PolarHBondContact O-N 3.13Å; L75-D77 PolarHBondContact O-N 2.92Å; L75-K78 PolarHBondContact O-N 3.38Å
76T62.2Low72.3Confident60 Ų6095.3 Ų95.337%0.36849%0.489SS..G310 helixtrans-68.4-13.5178.3-63.70000113.6K72 K78 V79 V81K72-T76 PolarHBondContact O-N 3.42Å; K72-T76 PolarHBondContact O-OG1 3.41Å; T76-K78 PolarHBondContact O-N 2.92Å; T76-V79 PolarHBondContact O-N 3.18Å; T76-V81 WeakPolarHBondContact O-CG2 3.44Å
77D56.5Low71.4Confident68 Ų6897.4 Ų97.436%0.36451%0.506SS..G310 helixtrans-58.2-16.4172.5-92.8-14.9000114.6L75L75-D77 PolarHBondContact O-N 2.92Å
78K55.3Low70.4Confident185 Ų18595.9 Ų95.980%0.80450%0.502SS*.G310 helixtrans-97.2-11.3-174.3-65.2-171.1179.3-1780115.5L75 T76L75-K78 PolarHBondContact O-N 3.38Å; T76-K78 PolarHBondContact O-N 2.92Å
79V54.9Low69.7Low111 Ų11194.1 Ų94.167%0.67350%0.5SS*.SBendtrans-133.8110.4-173.7-171.60000109.2T76T76-V79 PolarHBondContact O-N 3.18Å
80D57.2Low69.3Low160 Ų16097.2 Ų97.286%0.85652%0.515SS*.SBendtrans79.431.3168.2-114.80.8000119.1
81V56.2Low68.8Low26 Ų2698.1 Ų98.116%0.15852%0.518CS..  trans-98.5-6.2-174.3-170.90000113.6T76 N83 I88T76-V81 WeakPolarHBondContact O-CG2 3.44Å; V81-N83 PolarHBondContact O-N 3.12Å; V81-I88 HydrophobicContact CG1-CB 4.31Å; V81-I88 HydrophobicContact CG1-CD1 3.87Å; V81-I88 HydrophobicContact CG1-CG1 3.53Å; V81-I88 HydrophobicContact CG1-CG2 4.38Å; V81-I88 WeakPolarHBondContact O-CD1 3.5Å
82T57.9Low68.5Low139 Ų13994.2 Ų94.285%0.85351%0.506SS*.THydrogen-bonded Turntrans-78.2-18.4-169-48.40000114.9
83N63.5Low68.4Low160 Ų16094 Ų9486%0.85651%0.508SS*.THydrogen-bonded Turntrans-99.8-6.6-167.1-1073.6000116.3V81V81-N83 PolarHBondContact O-N 3.12Å
84N65.3Low68.5Low83 Ų8395.3 Ų95.344%0.44452%0.515SS..  trans-149.9104.8177.6-172.523.1000113.4T86 A87N84-T86 VanDerWaalsContact C-N 3.26Å; N84-T86 VanDerWaalsContact CG-OG1 3.3Å; N84-T86 PolarHBondContact ND2-OG1 3.21Å; N84-T86 PolarHBondContact O-N 2.81Å; N84-T86 PolarHBondContact OD1-OG1 3.19Å; N84-A87 HydrophobicContact CB-CB 4.24Å; N84-A87 WeakPolarHBondContact O-CB 3.29Å; N84-A87 PolarHBondContact O-N 3.09Å
85P69.3Low68.8Low96 Ų9693.7 Ų93.762%0.62350%0.501SS*.Hα-helixtrans-61.2-28.5-17621.3-30.8000114.1A87 I88 E89P85-A87 VanDerWaalsContact C-N 3.3Å; P85-A87 PolarHBondContact O-N 3.01Å; P85-I88 WeakPolarHBondContact O-CB 3.25Å; P85-I88 PolarHBondContact O-N 2.85Å; P85-E89 PolarHBondContact O-N 3.39Å
86T73.1Confident69.7Low89 Ų8993.9 Ų93.955%0.54650%0.497SS..Hα-helixtrans-69.7-24.4175.344.60000113.5N84 H90N84-T86 VanDerWaalsContact C-N 3.26Å; N84-T86 VanDerWaalsContact CG-OG1 3.3Å; N84-T86 PolarHBondContact ND2-OG1 3.21Å; N84-T86 PolarHBondContact O-N 2.81Å; N84-T86 PolarHBondContact OD1-OG1 3.19Å; T86-H90 PolarHBondContact O-N 3.35Å
87A70.8Confident70.9Confident43 Ų4397 Ų9736%0.35550%0.502SS..Hα-helixtrans-74.2-33.5175.800000111.9N84 P85 H90 I91N84-A87 HydrophobicContact CB-CB 4.24Å; N84-A87 WeakPolarHBondContact O-CB 3.29Å; N84-A87 PolarHBondContact O-N 3.09Å; P85-A87 VanDerWaalsContact C-N 3.3Å; P85-A87 PolarHBondContact O-N 3.01Å; A87-H90 PolarHBondContact O-N 2.94Å; A87-I91 WeakPolarHBondContact O-CG1 3.49Å; A87-I91 PolarHBondContact O-N 3.14Å; A87-I91 VanDerWaalsContact O-N 3.07Å
88I71.8Confident72.5Confident54 Ų5493.7 Ų93.728%0.27748%0.484SS..Hα-helixtrans-61.5-50.8177.6-49.2-167.9000110.4V81 P85 H90 I91 H92V81-I88 HydrophobicContact CG1-CB 4.31Å; V81-I88 HydrophobicContact CG1-CD1 3.87Å; V81-I88 HydrophobicContact CG1-CG1 3.53Å; V81-I88 HydrophobicContact CG1-CG2 4.38Å; V81-I88 WeakPolarHBondContact O-CD1 3.5Å; P85-I88 WeakPolarHBondContact O-CB 3.25Å; P85-I88 PolarHBondContact O-N 2.85Å; I88-H90 VanDerWaalsContact C-N 3.25Å; I88-H90 PolarHBondContact O-N 3.12Å; I88-I91 PolarHBondContact O-N 3.44Å; I88-I91 VanDerWaalsContact O-N 3.15Å; I88-H92 PolarHBondContact O-N 2.97Å
89E76.4Confident74.2Confident131 Ų13188.4 Ų88.461%0.61246%0.462SS*.Hα-helixtrans-58.3-40.7178.5-67.2179.6176.700111.5P85 I91 H92 M93P85-E89 PolarHBondContact O-N 3.39Å; E89-I91 PolarHBondContact O-N 3.35Å; E89-H92 PolarHBondContact O-N 2.88Å; E89-M93 WeakPolarHBondContact O-CB 3.29Å; E89-M93 WeakPolarHBondContact O-CG 3.23Å; E89-M93 PolarHBondContact O-N 3.37Å
90H78.9Confident76Confident118 Ų11888.3 Ų88.355%0.54645%0.45SS..Hα-helixtrans-69.1-32-179.9-159.5-94.4000113T86 A87 I88 K94T86-H90 PolarHBondContact O-N 3.35Å; A87-H90 PolarHBondContact O-N 2.94Å; I88-H90 VanDerWaalsContact C-N 3.25Å; I88-H90 PolarHBondContact O-N 3.12Å; H90-K94 WeakPolarHBondContact CE1-CE 3.36Å; H90-K94 WeakPolarHBondContact O-CG 3.29Å; H90-K94 PolarHBondContact O-N 3.37Å
91I77.9Confident77.7Confident30 Ų3080.7 Ų80.715%0.15441%0.409CS..Hα-helixtrans-71.2-49.4174.2-68.8166000110.4A87 I88 E89 M93 K94 L95A87-I91 WeakPolarHBondContact O-CG1 3.49Å; A87-I91 PolarHBondContact O-N 3.14Å; A87-I91 VanDerWaalsContact O-N 3.07Å; I88-I91 PolarHBondContact O-N 3.44Å; I88-I91 VanDerWaalsContact O-N 3.15Å; E89-I91 PolarHBondContact O-N 3.35Å; I91-M93 VanDerWaalsContact C-N 3.27Å; I91-M93 PolarHBondContact O-N 3.49Å; I91-K94 PolarHBondContact O-N 2.88Å; I91-L95 PolarHBondContact O-N 3.07Å
92H80.3Confident79.4Confident72 Ų7281.9 Ų81.933%0.33341%0.413SS..Hα-helixtrans-56.5-43175.7-71.5156.6000111.7I88 E89 K94 L95 F96I88-H92 PolarHBondContact O-N 2.97Å; E89-H92 PolarHBondContact O-N 2.88Å; H92-K94 VanDerWaalsContact C-N 3.29Å; H92-K94 PolarHBondContact O-N 3.19Å; H92-L95 WeakPolarHBondContact O-CB 3.41Å; H92-L95 PolarHBondContact O-N 3.2Å; H92-F96 HydrophobicContact CB-CD2 4.44Å; H92-F96 HydrophobicContact CB-CE2 4.2Å; H92-F96 WeakPolarHBondContact O-CD2 3.49Å; H92-F96 PolarHBondContact O-N 2.9Å
93M82.7Confident81.1Confident123 Ų12381.1 Ų81.161%0.60640%0.395SS*.Hα-helixtrans-61.8-34.6176.8-75.4-65.9-75.300113.3E89 I91 R97E89-M93 WeakPolarHBondContact O-CB 3.29Å; E89-M93 WeakPolarHBondContact O-CG 3.23Å; E89-M93 PolarHBondContact O-N 3.37Å; I91-M93 VanDerWaalsContact C-N 3.27Å; I91-M93 PolarHBondContact O-N 3.49Å; M93-R97 WeakPolarHBondContact O-CB 3.5Å; M93-R97 PolarHBondContact O-N 3.5Å
94K83.6Confident82.6Confident66 Ų6674.6 Ų74.629%0.28736%0.36SS..Hα-helixtrans-74.4-37.9174.1-74.8179.7174.9-178.70112.1Y73 H90 I91 H92 R97 A98Y73-K94 HydrophobicContact CD1-CB 4.36Å; Y73-K94 HydrophobicContact CD1-CD 4.49Å; Y73-K94 HydrophobicContact CD2-CB 3.98Å; Y73-K94 HydrophobicContact CE1-CB 4.39Å; Y73-K94 HydrophobicContact CE1-CD 3.82Å; Y73-K94 HydrophobicContact CE2-CB 3.98Å; Y73-K94 HydrophobicContact CE2-CD 4.21Å; Y73-K94 HydrophobicContact CG-CB 4.19Å; H90-K94 WeakPolarHBondContact CE1-CE 3.36Å; H90-K94 WeakPolarHBondContact O-CG 3.29Å; H90-K94 PolarHBondContact O-N 3.37Å; I91-K94 PolarHBondContact O-N 2.88Å; H92-K94 VanDerWaalsContact C-N 3.29Å; H92-K94 PolarHBondContact O-N 3.19Å; K94-R97 WeakPolarHBondContact O-CB 3.29Å; K94-R97 PolarHBondContact O-N 3.08Å; K94-A98 PolarHBondContact O-N 3.45Å
95L85.4Confident84Confident31 Ų3170.6 Ų70.616%0.16234%0.339CS..Hα-helixtrans-61.8-50.8175.7-179.562.3000111.6A70 I91 H92 R97 A98 Q99A70-L95 WeakPolarHBondContact O-CD1 3.35Å; I91-L95 PolarHBondContact O-N 3.07Å; H92-L95 WeakPolarHBondContact O-CB 3.41Å; H92-L95 PolarHBondContact O-N 3.2Å; L95-R97 PolarHBondContact O-N 3.4Å; L95-A98 PolarHBondContact O-N 2.91Å; L95-A98 VanDerWaalsContact O-N 3.12Å; L95-Q99 PolarHBondContact O-N 2.94Å
96F85.4Confident85.2Confident126 Ų12667.2 Ų67.255%0.55332%0.321SS*.Hα-helixtrans-61.1-35.2176.8-72.4-59.7000112.4H92 R100H92-F96 HydrophobicContact CB-CD2 4.44Å; H92-F96 HydrophobicContact CB-CE2 4.2Å; H92-F96 WeakPolarHBondContact O-CD2 3.49Å; H92-F96 PolarHBondContact O-N 2.9Å; F96-R100 WeakPolarHBondContact O-CB 3.29Å; F96-R100 PolarHBondContact O-N 3.37Å; F96-R100 VanDerWaalsContact O-N 3.08Å
97R87.5Confident86.2Confident125 Ų12568.4 Ų68.447%0.47232%0.319SS..Hα-helixtrans-63.2-48174.5-177.1-172.8-59.4-172.81.4111M93 K94 L95 N101M93-R97 WeakPolarHBondContact O-CB 3.5Å; M93-R97 PolarHBondContact O-N 3.5Å; K94-R97 WeakPolarHBondContact O-CB 3.29Å; K94-R97 PolarHBondContact O-N 3.08Å; L95-R97 PolarHBondContact O-N 3.4Å; R97-N101 WeakPolarHBondContact O-CB 3.48Å; R97-N101 PolarHBondContact O-N 3.43Å; R97-N101 VanDerWaalsContact O-N 3.07Å; R97-N101 PolarHBondContact O-ND2 3.02Å; R97-N101 PolarHBondContact O-OD1 3.39Å
98A88.4Confident87.4Confident0 Ų066.3 Ų66.30%030%0.302CS..Hα-helixtrans-63.9-44.7179.300000111.7E69 A70 K94 L95 R100 N101 E102E69-A98 HydrophobicContact CB-CB 4.08Å; E69-A98 HydrophobicContact CG-CB 4.04Å; A70-A98 HydrophobicContact CB-CB 3.99Å; K94-A98 PolarHBondContact O-N 3.45Å; L95-A98 PolarHBondContact O-N 2.91Å; L95-A98 VanDerWaalsContact O-N 3.12Å; A98-R100 PolarHBondContact O-N 2.75Å; A98-N101 WeakPolarHBondContact O-CB 3.41Å; A98-N101 PolarHBondContact O-N 2.99Å; A98-N101 VanDerWaalsContact O-N 3.16Å; A98-E102 WeakPolarHBondContact O-CB 3.35Å; A98-E102 PolarHBondContact O-N 3.22Å
99Q90.8Very high88.5Confident74 Ų7465.3 Ų65.335%0.34630%0.297SS..Hα-helixtrans-60.6-45.7178.5-171.1-174.84.500112.4L95 N101 E102 Y103L95-Q99 PolarHBondContact O-N 2.94Å; Q99-N101 VanDerWaalsContact C-N 3.33Å; Q99-N101 PolarHBondContact O-N 3.34Å; Q99-E102 WeakPolarHBondContact O-CB 3.34Å; Q99-E102 PolarHBondContact O-N 3.03Å; Q99-Y103 HydrophobicContact CG-CD2 4.23Å; Q99-Y103 HydrophobicContact CG-CE2 3.57Å; Q99-Y103 PolarHBondContact NE2-OH 3.28Å; Q99-Y103 WeakPolarHBondContact O-CD2 3.03Å; Q99-Y103 PolarHBondContact O-N 3.1Å; Q99-Y103 VanDerWaalsContact O-N 3.1Å
100R92.7Very high89.4Confident109 Ų10963.7 Ų63.741%0.41129%0.292SS..Hα-helixtrans-62.7-41.7175.2-177.9-165.357.1-149.1-21.1111.6M1 F96 A98 E102 Y103 I104M1-R100 PolarHBondContact SD-NH2 3.39Å; F96-R100 WeakPolarHBondContact O-CB 3.29Å; F96-R100 PolarHBondContact O-N 3.37Å; F96-R100 VanDerWaalsContact O-N 3.08Å; A98-R100 PolarHBondContact O-N 2.75Å; R100-E102 VanDerWaalsContact C-N 3.31Å; R100-Y103 PolarHBondContact O-N 3.46Å; R100-I104 HydrophobicContact CG-CD1 3.91Å; R100-I104 HydrophobicContact CG-CG1 4.47Å; R100-I104 WeakPolarHBondContact O-CG1 3.27Å; R100-I104 PolarHBondContact O-N 3.01Å
101N92.9Very high90.1Very high0 Ų059.5 Ų59.50%027%0.273CS..Hα-helixtrans-65.1-37.4179.9-71.2-6.5000111.8W5 A66 R97 A98 Q99 I104 A105W5-N101 HydrophobicContact CD2-CB 3.74Å; W5-N101 VanDerWaalsContact CD2-CG 3.42Å; W5-N101 HydrophobicContact CE3-CB 3.65Å; W5-N101 HydrophobicContact CG-CB 4.5Å; W5-N101 HydrophobicContact CH2-CB 3.78Å; W5-N101 HydrophobicContact CZ2-CB 3.83Å; W5-N101 HydrophobicContact CZ3-CB 3.66Å; W5-N101 WeakPolarHBondContact CZ3-O 3.5Å; W5-N101 PolarHBondContact NE1-ND2 3.49Å; A66-N101 HydrophobicContact CB-CB 4.3Å; R97-N101 WeakPolarHBondContact O-CB 3.48Å; R97-N101 PolarHBondContact O-N 3.43Å; R97-N101 VanDerWaalsContact O-N 3.07Å; R97-N101 PolarHBondContact O-ND2 3.02Å; R97-N101 PolarHBondContact O-OD1 3.39Å; A98-N101 WeakPolarHBondContact O-CB 3.41Å; A98-N101 PolarHBondContact O-N 2.99Å; A98-N101 VanDerWaalsContact O-N 3.16Å; Q99-N101 VanDerWaalsContact C-N 3.33Å; Q99-N101 PolarHBondContact O-N 3.34Å; N101-I104 PolarHBondContact O-N 2.91Å; N101-A105 WeakPolarHBondContact O-CB 3.4Å; N101-A105 PolarHBondContact O-N 3.42Å
102E93.1Very high90.7Very high51 Ų5158.5 Ų58.524%0.23827%0.269CS..Hα-helixtrans-59.7-48.4172.1-174.9-174.516200111.1L63 A66 F67 A98 Q99 R100 I104 A105 G106L63-E102 HydrophobicContact CD1-CG 4.04Å; A66-E102 HydrophobicContact CB-CB 4.08Å; F67-E102 WeakPolarHBondContact CD2-OE1 3.46Å; A98-E102 WeakPolarHBondContact O-CB 3.35Å; A98-E102 PolarHBondContact O-N 3.22Å; Q99-E102 WeakPolarHBondContact O-CB 3.34Å; Q99-E102 PolarHBondContact O-N 3.03Å; R100-E102 VanDerWaalsContact C-N 3.31Å; E102-I104 PolarHBondContact O-N 3.29Å; E102-A105 PolarHBondContact O-N 3.48Å; E102-G106 PolarHBondContact O-N 3.42Å
103Y94.1Very high91.3Very high123 Ų12359.1 Ų59.148%0.48227%0.274SS..Hα-helixtrans-60.7-45.6175.6-68.6-50.9000112.2Q99 R100 A105 G106 F107Q99-Y103 HydrophobicContact CG-CD2 4.23Å; Q99-Y103 HydrophobicContact CG-CE2 3.57Å; Q99-Y103 PolarHBondContact NE2-OH 3.28Å; Q99-Y103 WeakPolarHBondContact O-CD2 3.03Å; Q99-Y103 PolarHBondContact O-N 3.1Å; Q99-Y103 VanDerWaalsContact O-N 3.1Å; R100-Y103 PolarHBondContact O-N 3.46Å; Y103-A105 PolarHBondContact O-N 3.2Å; Y103-G106 PolarHBondContact O-N 2.9Å; Y103-F107 HydrophobicContact CD1-CE2 4.27Å; Y103-F107 HydrophobicContact CG-CE2 4.4Å; Y103-F107 WeakPolarHBondContact O-CB 3.48Å; Y103-F107 WeakPolarHBondContact O-CD2 3.37Å; Y103-F107 WeakPolarHBondContact O-CG 3.41Å; Y103-F107 PolarHBondContact O-N 3.19Å
104I93.9Very high91.7Very high22 Ų2257.2 Ų57.211%0.11327%0.266CS..Hα-helixtrans-59.8-48.3179.5-70.2167.4000110.8M1 V8 A9 L12 R100 N101 E102 A108M1-I104 HydrophobicContact CE-CD1 4.18Å; V8-I104 HydrophobicContact CB-CG2 4.31Å; V8-I104 HydrophobicContact CG1-CG2 3.78Å; A9-I104 HydrophobicContact CB-CG2 4.31Å; L12-I104 HydrophobicContact CD2-CG2 4.17Å; R100-I104 HydrophobicContact CG-CD1 3.91Å; R100-I104 HydrophobicContact CG-CG1 4.47Å; R100-I104 WeakPolarHBondContact O-CG1 3.27Å; R100-I104 PolarHBondContact O-N 3.01Å; N101-I104 PolarHBondContact O-N 2.91Å; E102-I104 PolarHBondContact O-N 3.29Å; I104-A108 VanDerWaalsContact O-CB 3.25Å; I104-A108 WeakPolarHBondContact O-CB 3.38Å; I104-A108 PolarHBondContact O-N 2.83Å
105A94.5Very high92Very high0 Ų055.7 Ų55.70%026%0.261CS..Hα-helixtrans-66-41.6178.100000112.3W5 L63 N101 E102 Y103 A108 L109W5-A105 HydrophobicContact CZ3-CB 4.16Å; L63-A105 HydrophobicContact CB-CB 4.25Å; L63-A105 HydrophobicContact CD1-CB 4.11Å; N101-A105 WeakPolarHBondContact O-CB 3.4Å; N101-A105 PolarHBondContact O-N 3.42Å; E102-A105 PolarHBondContact O-N 3.48Å; Y103-A105 PolarHBondContact O-N 3.2Å; A105-A108 PolarHBondContact O-N 3.44Å; A105-L109 WeakPolarHBondContact O-CB 3.38Å; A105-L109 PolarHBondContact O-N 2.9Å
106G94.9Very high92.1Very high24 Ų2458.8 Ų58.825%0.24727%0.27CS..Hα-helixtrans-65.6-45.8-179.700000112.4E102 Y103 L109 L110E102-G106 PolarHBondContact O-N 3.42Å; Y103-G106 PolarHBondContact O-N 2.9Å; G106-L109 PolarHBondContact O-N 3.41Å; G106-L110 WeakPolarHBondContact O-CB 3.47Å; G106-L110 PolarHBondContact O-N 3.27Å
107F95.1Very high92.3Very high114 Ų11460.7 Ų60.750%0.527%0.274SS..Hα-helixtrans-65.7-38.9175.1-73.2-56.3000112L12 Y103 L110 L111L12-F107 HydrophobicContact CD1-CB 3.92Å; Y103-F107 HydrophobicContact CD1-CE2 4.27Å; Y103-F107 HydrophobicContact CG-CE2 4.4Å; Y103-F107 WeakPolarHBondContact O-CB 3.48Å; Y103-F107 WeakPolarHBondContact O-CD2 3.37Å; Y103-F107 WeakPolarHBondContact O-CG 3.41Å; Y103-F107 PolarHBondContact O-N 3.19Å; F107-L110 PolarHBondContact O-N 3.28Å; F107-L111 WeakPolarHBondContact O-CB 3.18Å; F107-L111 WeakPolarHBondContact O-CG 2.98Å; F107-L111 PolarHBondContact O-N 2.81Å
108A95.1Very high92.3Very high0 Ų057.6 Ų57.60%027%0.266CS..Hα-helixtrans-63.4-45.3176.800000110.8V8 F11 L12 E15 L59 I104 A105 L110 L111 C112V8-A108 HydrophobicContact CG1-CB 4.4Å; F11-A108 HydrophobicContact CD1-CB 4.2Å; F11-A108 HydrophobicContact CE1-CB 4.45Å; L12-A108 HydrophobicContact CB-CB 4.24Å; L12-A108 HydrophobicContact CD1-CB 4.03Å; E15-A108 VanDerWaalsContact OE2-CA 3.28Å; E15-A108 WeakPolarHBondContact OE2-CA 3.34Å; E15-A108 VanDerWaalsContact OE2-O 3.06Å; L59-A108 HydrophobicContact CD2-CB 4.07Å; I104-A108 VanDerWaalsContact O-CB 3.25Å; I104-A108 WeakPolarHBondContact O-CB 3.38Å; I104-A108 PolarHBondContact O-N 2.83Å; A105-A108 PolarHBondContact O-N 3.44Å; A108-L110 PolarHBondContact O-N 2.94Å; A108-L111 PolarHBondContact O-N 2.88Å; A108-C112 WeakPolarHBondContact O-CB 3.4Å; A108-C112 PolarHBondContact O-N 3.39Å
109L94.8Very high92.1Very high32 Ų3258.9 Ų58.917%0.16828%0.277CS..Hα-helixtrans-58.9-48.6175.9-168.5165.8000111.3L59 V60 L63 A105 G106 C112 L113L59-L109 HydrophobicContact CB-CB 4.43Å; V60-L109 HydrophobicContact CG2-CD1 3.62Å; L63-L109 HydrophobicContact CD2-CD1 4.17Å; A105-L109 WeakPolarHBondContact O-CB 3.38Å; A105-L109 PolarHBondContact O-N 2.9Å; G106-L109 PolarHBondContact O-N 3.41Å; L109-C112 WeakPolarHBondContact O-CB 3.48Å; L109-C112 PolarHBondContact O-N 3.23Å; L109-L113 HydrophobicContact CD2-CD1 3.72Å; L109-L113 HydrophobicContact CD2-CG 4.28Å; L109-L113 WeakPolarHBondContact O-CG 3.31Å; L109-L113 PolarHBondContact O-N 2.87Å
110L94.9Very high91.7Very high97 Ų9758.1 Ų58.151%0.50828%0.278SS..Hα-helixtrans-59.2-50.8178.4-175.290.3000111.6G106 F107 A108 C112 L113 L114G106-L110 WeakPolarHBondContact O-CB 3.47Å; G106-L110 PolarHBondContact O-N 3.27Å; F107-L110 PolarHBondContact O-N 3.28Å; A108-L110 PolarHBondContact O-N 2.94Å; L110-C112 VanDerWaalsContact C-N 3.33Å; L110-C112 PolarHBondContact O-N 3.31Å; L110-L113 PolarHBondContact O-N 3.3Å; L110-L114 HydrophobicContact CD2-CD1 4.1Å; L110-L114 HydrophobicContact CG-CD1 4.02Å; L110-L114 WeakPolarHBondContact O-CG 3.37Å; L110-L114 PolarHBondContact O-N 3.37Å
111L93.1Very high91.4Very high31 Ų3156.3 Ų56.316%0.16228%0.275CS..Hα-helixtrans-66-36.8-178.1-74173000111.7L12 E15 V16 V19 F107 A108 L113 L114 L115L12-L111 HydrophobicContact CD1-CD1 3.67Å; E15-L111 HydrophobicContact CB-CB 4.18Å; V16-L111 HydrophobicContact CG2-CD1 3.55Å; V19-L111 HydrophobicContact CG2-CD2 4.32Å; F107-L111 WeakPolarHBondContact O-CB 3.18Å; F107-L111 WeakPolarHBondContact O-CG 2.98Å; F107-L111 PolarHBondContact O-N 2.81Å; A108-L111 PolarHBondContact O-N 2.88Å; L111-L113 VanDerWaalsContact C-N 3.34Å; L111-L113 PolarHBondContact O-N 3.32Å; L111-L114 HydrophobicContact CD2-CD1 4.31Å; L111-L114 PolarHBondContact O-N 2.81Å; L111-L115 WeakPolarHBondContact O-CB 3.44Å; L111-L115 PolarHBondContact O-N 2.96Å
112C91.8Very high91.1Very high8 Ų857.3 Ų57.35%0.05428%0.281CS..Hα-helixtrans-55.8-48.6173.7-164.60000111.7E15 F52 I56 A108 L109 L110 L115 R116E15-C112 WeakPolarHBondContact OE1-CA 3.4Å; E15-C112 WeakPolarHBondContact OE1-CB 3.27Å; E15-C112 PolarHBondContact OE1-N 2.98Å; F52-C112 HydrophobicContact CE2-CB 4.48Å; F52-C112 WeakPolarHBondContact CE2-SG 3.37Å; I56-C112 HydrophobicContact CD1-CB 4.23Å; A108-C112 WeakPolarHBondContact O-CB 3.4Å; A108-C112 PolarHBondContact O-N 3.39Å; L109-C112 WeakPolarHBondContact O-CB 3.48Å; L109-C112 PolarHBondContact O-N 3.23Å; L110-C112 VanDerWaalsContact C-N 3.33Å; L110-C112 PolarHBondContact O-N 3.31Å; C112-L115 PolarHBondContact O-N 3.35Å; C112-R116 PolarHBondContact O-N 3.26Å
113L91.9Very high90.6Very high85 Ų8556.8 Ų56.845%0.44528%0.283SS..Hα-helixtrans-64.8-43.9177-66.3178.2000112F52 I56 L109 L110 L111 R116 R117F52-L113 HydrophobicContact CE1-CD2 4.28Å; F52-L113 HydrophobicContact CZ-CD2 4.01Å; I56-L113 HydrophobicContact CD1-CD2 3.85Å; I56-L113 HydrophobicContact CD1-CG 4.21Å; L109-L113 HydrophobicContact CD2-CD1 3.72Å; L109-L113 HydrophobicContact CD2-CG 4.28Å; L109-L113 WeakPolarHBondContact O-CG 3.31Å; L109-L113 PolarHBondContact O-N 2.87Å; L110-L113 PolarHBondContact O-N 3.3Å; L111-L113 VanDerWaalsContact C-N 3.34Å; L111-L113 PolarHBondContact O-N 3.32Å; L113-R116 PolarHBondContact O-N 2.7Å; L113-R117 WeakPolarHBondContact O-CB 3.5Å; L113-R117 PolarHBondContact O-N 3.45Å
114L92.2Very high90.1Very high83 Ų8356 Ų5644%0.43528%0.284SS..Hα-helixtrans-62.5-42.8177.4-73172.2000111.6L110 L111 R117 L118L110-L114 HydrophobicContact CD2-CD1 4.1Å; L110-L114 HydrophobicContact CG-CD1 4.02Å; L110-L114 WeakPolarHBondContact O-CG 3.37Å; L110-L114 PolarHBondContact O-N 3.37Å; L111-L114 HydrophobicContact CD2-CD1 4.31Å; L111-L114 PolarHBondContact O-N 2.81Å; L114-R117 WeakPolarHBondContact O-CB 3.31Å; L114-R117 PolarHBondContact O-N 3.38Å; L114-L118 WeakPolarHBondContact O-CB 3.37Å; L114-L118 VanDerWaalsContact O-CG 3.27Å; L114-L118 WeakPolarHBondContact O-CG 3.48Å; L114-L118 PolarHBondContact O-N 3.23Å
115L89.4Confident89.8Confident35 Ų3559.7 Ų59.718%0.18330%0.3CS..Hα-helixtrans-67.1-41.1-178.8-162.4149.8000111E15 L18 V19 L111 C112 R117 L118 A119E15-L115 HydrophobicContact CB-CD1 4.37Å; L18-L115 HydrophobicContact CB-CD1 3.44Å; L18-L115 VanDerWaalsContact CB-CD1 3.44Å; L18-L115 HydrophobicContact CD1-CD1 4.08Å; L18-L115 HydrophobicContact CG-CD1 4.43Å; V19-L115 HydrophobicContact CG2-CB 4.21Å; V19-L115 HydrophobicContact CG2-CD1 3.78Å; V19-L115 HydrophobicContact CG2-CG 4.22Å; L111-L115 WeakPolarHBondContact O-CB 3.44Å; L111-L115 PolarHBondContact O-N 2.96Å; C112-L115 PolarHBondContact O-N 3.35Å; L115-R117 VanDerWaalsContact C-N 3.34Å; L115-R117 PolarHBondContact O-N 2.67Å; L115-L118 PolarHBondContact O-N 3.15Å; L115-A119 WeakPolarHBondContact O-CB 3.5Å; L115-A119 PolarHBondContact O-N 3.42Å
116R86.8Confident89.3Confident96 Ų9659.9 Ų59.936%0.36230%0.302SS..Hα-helixtrans-58.4-45170.5-178.966.5172.7173.3-2.8111.7N49 F52 C112 L113 T120N49-R116 PolarHBondContact OD1-NH2 3.06Å; N49-R116 VanDerWaalsContact OD1-NH2 3.12Å; F52-R116 HydrophobicContact CE1-CB 4.45Å; F52-R116 HydrophobicContact CE1-CG 4.18Å; F52-R116 HydrophobicContact CE2-CB 3.71Å; F52-R116 HydrophobicContact CE2-CG 4.14Å; F52-R116 HydrophobicContact CZ-CB 3.62Å; F52-R116 HydrophobicContact CZ-CG 3.83Å; C112-R116 PolarHBondContact O-N 3.26Å; L113-R116 PolarHBondContact O-N 2.7Å; R116-T120 PolarHBondContact O-N 3.45Å; R116-T120 PolarHBondContact O-OG1 2.94Å
117R89.4Confident88.9Confident166 Ų16661.8 Ų61.863%0.62631%0.309SS*.Hα-helixtrans-64.5-47178-178.861.5179-1552.2111.6L113 L114 L115 T120 L121L113-R117 WeakPolarHBondContact O-CB 3.5Å; L113-R117 PolarHBondContact O-N 3.45Å; L114-R117 WeakPolarHBondContact O-CB 3.31Å; L114-R117 PolarHBondContact O-N 3.38Å; L115-R117 VanDerWaalsContact C-N 3.34Å; L115-R117 PolarHBondContact O-N 2.67Å; R117-T120 PolarHBondContact O-N 3.01Å; R117-L121 HydrophobicContact CG-CD1 4Å; R117-L121 HydrophobicContact CG-CG 4.46Å; R117-L121 WeakPolarHBondContact O-CB 2.99Å; R117-L121 WeakPolarHBondContact O-CG 3.5Å; R117-L121 PolarHBondContact O-N 3.2Å
118L88.3Confident88.6Confident60 Ų6061.5 Ų61.531%0.31431%0.312SS..Hα-helixtrans-60.7-47.8179-75170.7000111.8V19 L114 L115 T120 L121 L122V19-L118 HydrophobicContact CG1-CD1 4.35Å; L114-L118 WeakPolarHBondContact O-CB 3.37Å; L114-L118 VanDerWaalsContact O-CG 3.27Å; L114-L118 WeakPolarHBondContact O-CG 3.48Å; L114-L118 PolarHBondContact O-N 3.23Å; L115-L118 PolarHBondContact O-N 3.15Å; L118-T120 VanDerWaalsContact C-N 3.29Å; L118-T120 PolarHBondContact O-N 3.13Å; L118-L121 PolarHBondContact O-N 3.49Å; L118-L122 VanDerWaalsContact O-CB 3.27Å; L118-L122 WeakPolarHBondContact O-CB 3.44Å; L118-L122 PolarHBondContact O-N 3.43Å
119A83.4Confident88.2Confident27 Ų2764.3 Ų64.322%0.22333%0.325CS..Hα-helixtrans-59.7-41.2178.300000112F36 L115 S123F36-A119 HydrophobicContact CZ-CB 4.39Å; L115-A119 WeakPolarHBondContact O-CB 3.5Å; L115-A119 PolarHBondContact O-N 3.42Å; A119-S123 WeakPolarHBondContact O-CB 3.45Å; A119-S123 PolarHBondContact O-N 2.92Å; A119-S123 VanDerWaalsContact O-N 3.1Å
120T83.6Confident87.8Confident58 Ų5865.2 Ų65.236%0.35634%0.338SS..Hα-helixtrans-65.8-48.8177.9-53.80000111.4R116 R117 L118 L122 S123 Q124R116-T120 PolarHBondContact O-N 3.45Å; R116-T120 PolarHBondContact O-OG1 2.94Å; R117-T120 PolarHBondContact O-N 3.01Å; L118-T120 VanDerWaalsContact C-N 3.29Å; L118-T120 PolarHBondContact O-N 3.13Å; T120-L122 VanDerWaalsContact C-N 3.32Å; T120-L122 PolarHBondContact O-N 3.45Å; T120-S123 PolarHBondContact O-N 3.46Å; T120-Q124 WeakPolarHBondContact O-CG 3.48Å; T120-Q124 PolarHBondContact O-N 2.81Å
121L86.2Confident87.5Confident70 Ų7062.6 Ų62.637%0.36633%0.328SS..Hα-helixtrans-61.2-40.9178.4-73.7175000111.7R117 L118 S123 Q124 Q125R117-L121 HydrophobicContact CG-CD1 4Å; R117-L121 HydrophobicContact CG-CG 4.46Å; R117-L121 WeakPolarHBondContact O-CB 2.99Å; R117-L121 WeakPolarHBondContact O-CG 3.5Å; R117-L121 PolarHBondContact O-N 3.2Å; L118-L121 PolarHBondContact O-N 3.49Å; L121-S123 VanDerWaalsContact C-N 3.34Å; L121-S123 PolarHBondContact O-N 3.39Å; L121-Q124 PolarHBondContact O-N 3.18Å; L121-Q125 VanDerWaalsContact O-CB 3.29Å; L121-Q125 WeakPolarHBondContact O-CB 3.42Å; L121-Q125 PolarHBondContact O-N 3.32Å
122L85.8Confident87.4Confident21 Ų2166.2 Ų66.211%0.1135%0.347CS..Hα-helixtrans-65.3-39.1179.5-166.962000111.7L22 P29 W32 F36 L118 T120 A126L22-L122 HydrophobicContact CD2-CD2 4.3Å; P29-L122 HydrophobicContact CB-CD1 3.77Å; P29-L122 HydrophobicContact CG-CD1 3.83Å; W32-L122 HydrophobicContact CB-CD2 3.6Å; W32-L122 HydrophobicContact CB-CG 4.01Å; W32-L122 HydrophobicContact CD2-CD2 3.96Å; W32-L122 HydrophobicContact CG-CD2 3.45Å; W32-L122 VanDerWaalsContact CG-CD2 3.45Å; W32-L122 HydrophobicContact CG-CG 4.33Å; F36-L122 HydrophobicContact CE2-CB 4.26Å; F36-L122 HydrophobicContact CE2-CD2 3.89Å; F36-L122 HydrophobicContact CE2-CG 4.26Å; F36-L122 HydrophobicContact CZ-CD2 4.32Å; L118-L122 VanDerWaalsContact O-CB 3.27Å; L118-L122 WeakPolarHBondContact O-CB 3.44Å; L118-L122 PolarHBondContact O-N 3.43Å; T120-L122 VanDerWaalsContact C-N 3.32Å; T120-L122 PolarHBondContact O-N 3.45Å; L122-A126 WeakPolarHBondContact O-CB 3.19Å; L122-A126 PolarHBondContact O-N 2.9Å
123S82.6Confident87.4Confident40 Ų4069.3 Ų69.328%0.2836%0.361SS..Hα-helixtrans-64.8-43174.3-172.10000112.3A119 T120 L121 T127A119-S123 WeakPolarHBondContact O-CB 3.45Å; A119-S123 PolarHBondContact O-N 2.92Å; A119-S123 VanDerWaalsContact O-N 3.1Å; T120-S123 PolarHBondContact O-N 3.46Å; L121-S123 VanDerWaalsContact C-N 3.34Å; L121-S123 PolarHBondContact O-N 3.39Å; S123-T127 PolarHBondContact O-N 3.4Å; S123-T127 VanDerWaalsContact O-N 3.12Å; S123-T127 PolarHBondContact O-OG1 3.2Å
124Q85.1Confident87.4Confident108 Ų10868 Ų6851%0.50536%0.363SS..Hα-helixtrans-64-48.8175.7-72.2175-12.600111.4T120 L121 A126 T127 L128T120-Q124 WeakPolarHBondContact O-CG 3.48Å; T120-Q124 PolarHBondContact O-N 2.81Å; L121-Q124 PolarHBondContact O-N 3.18Å; Q124-A126 VanDerWaalsContact C-N 3.31Å; Q124-A126 PolarHBondContact O-N 2.97Å; Q124-T127 PolarHBondContact O-N 2.92Å; Q124-T127 VanDerWaalsContact O-N 3.14Å; Q124-L128 WeakPolarHBondContact O-CG 2.96Å; Q124-L128 PolarHBondContact O-N 2.8Å
125Q87.2Confident87.4Confident99 Ų9970.1 Ų70.146%0.46337%0.368SS..Hα-helixtrans-59.9-42-179.9-167.7-173.9-0.200111.5L121 L128 M129L121-Q125 VanDerWaalsContact O-CB 3.29Å; L121-Q125 WeakPolarHBondContact O-CB 3.42Å; L121-Q125 PolarHBondContact O-N 3.32Å; Q125-L128 PolarHBondContact O-N 2.94Å; Q125-M129 HydrophobicContact CG-CE 3.72Å; Q125-M129 WeakPolarHBondContact O-CG 3.45Å; Q125-M129 PolarHBondContact O-N 3.35Å
126A84.8Confident87.6Confident3 Ų375.9 Ų75.93%0.02539%0.388CS..Hα-helixtrans-68.2-35177.700000113.3P29 L122 Q124 M129 A130P29-A126 HydrophobicContact CB-CB 4.14Å; P29-A126 VanDerWaalsContact O-CB 3.26Å; P29-A126 WeakPolarHBondContact O-CB 3.31Å; L122-A126 WeakPolarHBondContact O-CB 3.19Å; L122-A126 PolarHBondContact O-N 2.9Å; Q124-A126 VanDerWaalsContact C-N 3.31Å; Q124-A126 PolarHBondContact O-N 2.97Å; A126-M129 PolarHBondContact O-N 3.49Å; A126-A130 WeakPolarHBondContact O-CB 3.26Å; A126-A130 PolarHBondContact O-N 2.92Å
127T85.7Confident88Confident65 Ų6577 Ų7740%0.39940%0.395SS..Hα-helixtrans-66-43.4173.9-58.30000110.7S123 Q124 M129 A130 S131S123-T127 PolarHBondContact O-N 3.4Å; S123-T127 VanDerWaalsContact O-N 3.12Å; S123-T127 PolarHBondContact O-OG1 3.2Å; Q124-T127 PolarHBondContact O-N 2.92Å; Q124-T127 VanDerWaalsContact O-N 3.14Å; T127-M129 PolarHBondContact O-N 2.77Å; T127-A130 PolarHBondContact O-N 3.47Å; T127-S131 PolarHBondContact O-N 2.98Å; T127-S131 PolarHBondContact O-OG 2.86Å
128L88.3Confident88.2Confident107 Ų10775.3 Ų75.356%0.5639%0.394SS*.Hα-helixtrans-62.8-38.7174.2-75.6167.5000112.8Q124 Q125 S131 N132Q124-L128 WeakPolarHBondContact O-CG 2.96Å; Q124-L128 PolarHBondContact O-N 2.8Å; Q125-L128 PolarHBondContact O-N 2.94Å; L128-S131 WeakPolarHBondContact CA-OG 3.15Å; L128-S131 PolarHBondContact O-OG 3.19Å; L128-N132 WeakPolarHBondContact O-CB 3.09Å; L128-N132 PolarHBondContact O-N 3.42Å; L128-N132 PolarHBondContact O-ND2 2.72Å
129M87.3Confident88.5Confident59 Ų5975.5 Ų75.529%0.29140%0.404SS..Hα-helixtrans-65.2-41174.1-75.9-170.8-148.300112P29 Q125 A126 T127 E133P29-M129 HydrophobicContact CB-CE 3.8Å; P29-M129 HydrophobicContact CB-SD 4.43Å; P29-M129 HydrophobicContact CG-CE 3.58Å; Q125-M129 HydrophobicContact CG-CE 3.72Å; Q125-M129 WeakPolarHBondContact O-CG 3.45Å; Q125-M129 PolarHBondContact O-N 3.35Å; A126-M129 PolarHBondContact O-N 3.49Å; T127-M129 PolarHBondContact O-N 2.77Å; M129-E133 WeakPolarHBondContact O-CB 3.04Å; M129-E133 PolarHBondContact O-N 2.96Å
130A86.9Confident89.1Confident52 Ų5278.4 Ų78.443%0.4341%0.413SS..Hα-helixtrans-66.4-42178.700000111.6A126 T127 E133 A134A126-A130 WeakPolarHBondContact O-CB 3.26Å; A126-A130 PolarHBondContact O-N 2.92Å; T127-A130 PolarHBondContact O-N 3.47Å; A130-E133 PolarHBondContact O-N 3.39Å; A130-A134 PolarHBondContact O-N 2.93Å
131S88Confident89.7Confident42 Ų4277.6 Ų77.629%0.29442%0.416SS..Hα-helixtrans-66.8-42175.962.90000111.9T127 L128 E133 A134 F135T127-S131 PolarHBondContact O-N 2.98Å; T127-S131 PolarHBondContact O-OG 2.86Å; L128-S131 WeakPolarHBondContact CA-OG 3.15Å; L128-S131 PolarHBondContact O-OG 3.19Å; S131-E133 VanDerWaalsContact C-N 3.34Å; S131-E133 PolarHBondContact O-N 3.44Å; S131-A134 PolarHBondContact O-N 3.06Å; S131-F135 WeakPolarHBondContact O-CD2 3.46Å; S131-F135 WeakPolarHBondContact O-CG 2.99Å; S131-F135 PolarHBondContact O-N 2.82Å
132N90.1Very high90.1Very high106 Ų10677.1 Ų77.157%0.56742%0.423SS*.Hα-helixtrans-61.8-41.1175.3-91.5-45.6000112.2L128 A134 F135 R136L128-N132 WeakPolarHBondContact O-CB 3.09Å; L128-N132 PolarHBondContact O-N 3.42Å; L128-N132 PolarHBondContact O-ND2 2.72Å; N132-A134 VanDerWaalsContact C-N 3.34Å; N132-F135 PolarHBondContact O-N 3.12Å; N132-R136 VanDerWaalsContact O-CB 3.31Å; N132-R136 WeakPolarHBondContact O-CB 3.48Å; N132-R136 PolarHBondContact O-N 2.75Å
133E91.7Very high90.6Very high74 Ų7479.3 Ų79.335%0.34644%0.44SS..Hα-helixtrans-64.1-40.6176-170-175.6158.200111.7K30 M129 A130 S131 R136 K137K30-E133 IonicContact NZ-OE2 3.85Å; K30-E133 PolarHBondContact NZ-OE2 3.27Å; M129-E133 WeakPolarHBondContact O-CB 3.04Å; M129-E133 PolarHBondContact O-N 2.96Å; A130-E133 PolarHBondContact O-N 3.39Å; S131-E133 VanDerWaalsContact C-N 3.34Å; S131-E133 PolarHBondContact O-N 3.44Å; E133-R136 PolarHBondContact O-N 3.5Å; E133-K137 WeakPolarHBondContact O-CG 3.35Å; E133-K137 PolarHBondContact O-N 3.3Å; E133-K137 IonicContact OE1-NZ 2.83Å; E133-K137 PolarHBondContact OE1-NZ 3.25Å
134A92.1Very high91.2Very high58 Ų5880.8 Ų80.848%0.47945%0.447SS..Hα-helixtrans-64.3-46.2175.700000111.9A130 S131 N132 R136 K137 Q138A130-A134 PolarHBondContact O-N 2.93Å; S131-A134 PolarHBondContact O-N 3.06Å; N132-A134 VanDerWaalsContact C-N 3.34Å; A134-R136 VanDerWaalsContact C-N 3.33Å; A134-R136 PolarHBondContact O-N 3.05Å; A134-K137 PolarHBondContact O-N 3.16Å; A134-Q138 WeakPolarHBondContact O-CB 3.28Å; A134-Q138 PolarHBondContact O-N 3.28Å
135F92.9Very high91.7Very high127 Ų12777.5 Ų77.556%0.55744%0.439SS*.Hα-helixtrans-62.8-39.4176-71.9-48.5000112.4S131 N132 Q138 A139S131-F135 WeakPolarHBondContact O-CD2 3.46Å; S131-F135 WeakPolarHBondContact O-CG 2.99Å; S131-F135 PolarHBondContact O-N 2.82Å; N132-F135 PolarHBondContact O-N 3.12Å; F135-Q138 PolarHBondContact O-N 3.47Å; F135-A139 WeakPolarHBondContact O-CB 3.48Å; F135-A139 PolarHBondContact O-N 3.32Å
136R94.3Very high92.1Very high156 Ų15674.9 Ų74.959%0.58943%0.434SS*.Hα-helixtrans-62.8-45.9176.8-160.2-178.380.4122.815.7111.2N132 E133 A134 Q138 A139 E140N132-R136 VanDerWaalsContact O-CB 3.31Å; N132-R136 WeakPolarHBondContact O-CB 3.48Å; N132-R136 PolarHBondContact O-N 2.75Å; E133-R136 PolarHBondContact O-N 3.5Å; A134-R136 VanDerWaalsContact C-N 3.33Å; A134-R136 PolarHBondContact O-N 3.05Å; R136-Q138 VanDerWaalsContact C-N 3.3Å; R136-Q138 PolarHBondContact O-N 2.95Å; R136-A139 PolarHBondContact O-N 2.95Å; R136-E140 IonicContact CZ-OE1 3.7Å; R136-E140 VanDerWaalsContact CZ-OE1 3.24Å; R136-E140 IonicContact NE-OE1 3.24Å; R136-E140 PolarHBondContact NE-OE1 3.19Å; R136-E140 IonicContact NH1-OE1 2.6Å; R136-E140 IonicContact NH2-OE1 3.32Å; R136-E140 PolarHBondContact NH2-OE1 2.92Å; R136-E140 WeakPolarHBondContact O-CB 3.24Å; R136-E140 WeakPolarHBondContact O-CG 3.36Å; R136-E140 PolarHBondContact O-N 2.88Å
137K94.9Very high92.6Very high118 Ų11879.9 Ų79.951%0.51346%0.457SS..Hα-helixtrans-62.6-37.2174.5-74.4177-178.4165.40112.3E133 A134 G141E133-K137 WeakPolarHBondContact O-CG 3.35Å; E133-K137 PolarHBondContact O-N 3.3Å; E133-K137 IonicContact OE1-NZ 2.83Å; E133-K137 PolarHBondContact OE1-NZ 3.25Å; A134-K137 PolarHBondContact O-N 3.16Å; K137-G141 PolarHBondContact O-N 3.33Å
138Q93.8Very high93Very high132 Ų13280.4 Ų80.462%0.61746%0.457SS*.Hα-helixtrans-66.9-41.9176.6-171.1176.820.500111.8A134 F135 R136 A142A134-Q138 WeakPolarHBondContact O-CB 3.28Å; A134-Q138 PolarHBondContact O-N 3.28Å; F135-Q138 PolarHBondContact O-N 3.47Å; R136-Q138 VanDerWaalsContact C-N 3.3Å; R136-Q138 PolarHBondContact O-N 2.95Å; Q138-A142 WeakPolarHBondContact O-CB 3.35Å; Q138-A142 PolarHBondContact O-N 3.45Å
139A94.8Very high93.3Very high63 Ų6381.3 Ų81.352%0.52146%0.457SS..Hα-helixtrans-66.6-44.317600000111.8F135 R136 A142 S143F135-A139 WeakPolarHBondContact O-CB 3.48Å; F135-A139 PolarHBondContact O-N 3.32Å; R136-A139 PolarHBondContact O-N 2.95Å; A139-A142 PolarHBondContact O-N 3.48Å; A139-S143 WeakPolarHBondContact O-CB 3.44Å; A139-S143 PolarHBondContact O-N 3.47Å
140E96Very high93.7Very high88 Ų8884.7 Ų84.741%0.41147%0.473SS..Hα-helixtrans-59.1-49.4174.1-74.1168.4-173.800110.6R136 A142 S143 T144R136-E140 IonicContact CZ-OE1 3.7Å; R136-E140 VanDerWaalsContact CZ-OE1 3.24Å; R136-E140 IonicContact NE-OE1 3.24Å; R136-E140 PolarHBondContact NE-OE1 3.19Å; R136-E140 IonicContact NH1-OE1 2.6Å; R136-E140 IonicContact NH2-OE1 3.32Å; R136-E140 PolarHBondContact NH2-OE1 2.92Å; R136-E140 WeakPolarHBondContact O-CB 3.24Å; R136-E140 WeakPolarHBondContact O-CG 3.36Å; R136-E140 PolarHBondContact O-N 2.88Å; E140-A142 PolarHBondContact O-N 3.43Å; E140-S143 WeakPolarHBondContact O-CB 3.43Å; E140-S143 PolarHBondContact O-N 3.36Å; E140-T144 PolarHBondContact O-N 2.84Å; E140-T144 PolarHBondContact O-OG1 3.24Å
141G96Very high94Very high41 Ų4188.1 Ų88.142%0.42348%0.48SS..Hα-helixtrans-61.4-41.217800000113.7K137 T144 A145K137-G141 PolarHBondContact O-N 3.33Å; G141-T144 PolarHBondContact O-N 3.04Å; G141-A145 WeakPolarHBondContact O-CB 3.47Å; G141-A145 PolarHBondContact O-N 3.47Å
142A94.8Very high94.3Very high61 Ų6191.6 Ų91.650%0.50449%0.492SS..Hα-helixtrans-66.4-38.7175.100000112.1Q138 A139 E140 A145 A146Q138-A142 WeakPolarHBondContact O-CB 3.35Å; Q138-A142 PolarHBondContact O-N 3.45Å; A139-A142 PolarHBondContact O-N 3.48Å; E140-A142 PolarHBondContact O-N 3.43Å; A142-A145 PolarHBondContact O-N 3.43Å; A142-A146 WeakPolarHBondContact O-CB 3.41Å; A142-A146 PolarHBondContact O-N 2.98Å
143S94.7Very high94.3Very high67 Ų6790.7 Ų90.747%0.46949%0.487SS..Hα-helixtrans-64.7-44.8175.5-170.30000111.6A139 E140 A146 Q147A139-S143 WeakPolarHBondContact O-CB 3.44Å; A139-S143 PolarHBondContact O-N 3.47Å; E140-S143 WeakPolarHBondContact O-CB 3.43Å; E140-S143 PolarHBondContact O-N 3.36Å; S143-A146 PolarHBondContact O-N 3.3Å; S143-Q147 PolarHBondContact O-N 3.18Å
144T96Very high94.4Very high70 Ų7093.5 Ų93.543%0.42950%0.5SS..Hα-helixtrans-63.9-42.8175.5-57.50000111.3E140 G141 A146 Q147 N148E140-T144 PolarHBondContact O-N 2.84Å; E140-T144 PolarHBondContact O-OG1 3.24Å; G141-T144 PolarHBondContact O-N 3.04Å; T144-A146 VanDerWaalsContact C-N 3.32Å; T144-A146 PolarHBondContact O-N 3.01Å; T144-Q147 PolarHBondContact O-N 3.15Å; T144-N148 PolarHBondContact O-N 3.27Å; T144-N148 PolarHBondContact O-OD1 3.45Å
145A95.4Very high94.4Very high40 Ų4092.7 Ų92.733%0.33149%0.494SS..Hα-helixtrans-61.8-41175.500000111.8G141 A142 N148 F149G141-A145 WeakPolarHBondContact O-CB 3.47Å; G141-A145 PolarHBondContact O-N 3.47Å; A142-A145 PolarHBondContact O-N 3.43Å; A145-N148 PolarHBondContact O-N 3.39Å; A145-F149 HydrophobicContact CB-CE2 4.47Å; A145-F149 WeakPolarHBondContact O-CD2 3.45Å; A145-F149 WeakPolarHBondContact O-CG 3.43Å; A145-F149 PolarHBondContact O-N 2.87Å
146A95.3Very high94.2Very high43 Ų4391.5 Ų91.536%0.35549%0.492SS..Hα-helixtrans-63.9-42175.300000112.3A142 S143 T144 F149 M150A142-A146 WeakPolarHBondContact O-CB 3.41Å; A142-A146 PolarHBondContact O-N 2.98Å; S143-A146 PolarHBondContact O-N 3.3Å; T144-A146 VanDerWaalsContact C-N 3.32Å; T144-A146 PolarHBondContact O-N 3.01Å; A146-F149 PolarHBondContact O-N 3.49Å; A146-M150 VanDerWaalsContact O-CG 3.31Å; A146-M150 WeakPolarHBondContact O-CG 3.32Å; A146-M150 PolarHBondContact O-N 3.3Å
147Q94.9Very high93.7Very high109 Ų10989.9 Ų89.951%0.50949%0.49SS..Hα-helixtrans-60.5-48.4173.7-79.8180-31.900111.5S143 T144 F149 M150 E151S143-Q147 PolarHBondContact O-N 3.18Å; T144-Q147 PolarHBondContact O-N 3.15Å; Q147-F149 VanDerWaalsContact C-N 3.3Å; Q147-F149 PolarHBondContact O-N 3.41Å; Q147-M150 WeakPolarHBondContact O-CB 3.31Å; Q147-M150 PolarHBondContact O-N 2.95Å; Q147-E151 PolarHBondContact O-N 3.26Å
148N95.8Very high93.4Very high75 Ų7589.9 Ų89.940%0.40149%0.492SS..Hα-helixtrans-58.9-42.5177.3-65.7-4.5000111.3T144 A145 M150 E151 E152T144-N148 PolarHBondContact O-N 3.27Å; T144-N148 PolarHBondContact O-OD1 3.45Å; A145-N148 PolarHBondContact O-N 3.39Å; N148-M150 VanDerWaalsContact C-N 3.32Å; N148-M150 PolarHBondContact O-N 3.05Å; N148-E151 PolarHBondContact O-N 3.38Å; N148-E152 WeakPolarHBondContact O-CB 3.41Å; N148-E152 WeakPolarHBondContact O-CG 3.31Å; N148-E152 PolarHBondContact O-N 3.44Å
149F94.3Very high93Very high127 Ų12790.2 Ų90.256%0.55749%0.491SS*.Hα-helixtrans-66.5-31.7175.7-71.3-44.4000113.4A145 A146 Q147 N153A145-F149 HydrophobicContact CB-CE2 4.47Å; A145-F149 WeakPolarHBondContact O-CD2 3.45Å; A145-F149 WeakPolarHBondContact O-CG 3.43Å; A145-F149 PolarHBondContact O-N 2.87Å; A146-F149 PolarHBondContact O-N 3.49Å; Q147-F149 VanDerWaalsContact C-N 3.3Å; Q147-F149 PolarHBondContact O-N 3.41Å; F149-N153 VanDerWaalsContact O-CB 3.28Å; F149-N153 WeakPolarHBondContact O-CB 3.4Å; F149-N153 PolarHBondContact O-N 2.9Å; F149-N153 VanDerWaalsContact O-N 3.08Å; F149-N153 PolarHBondContact O-ND2 3.42Å
150M94Very high92.1Very high129 Ų12993.2 Ų93.264%0.63550%0.497SS*.Hα-helixtrans-69.1-46.6173.8-72.8179.3-177.400110.8A146 Q147 N148 N153 E154A146-M150 VanDerWaalsContact O-CG 3.31Å; A146-M150 WeakPolarHBondContact O-CG 3.32Å; A146-M150 PolarHBondContact O-N 3.3Å; Q147-M150 WeakPolarHBondContact O-CB 3.31Å; Q147-M150 PolarHBondContact O-N 2.95Å; N148-M150 VanDerWaalsContact C-N 3.32Å; N148-M150 PolarHBondContact O-N 3.05Å; M150-N153 PolarHBondContact O-N 2.86Å; M150-E154 WeakPolarHBondContact O-CG 3.35Å; M150-E154 PolarHBondContact O-N 3.44Å
151E95.2Very high91.3Very high124 Ų12497.7 Ų97.758%0.57951%0.511SS*.Hα-helixtrans-62.9-45.5177-71.7178.1-171.800112.1Q147 N148 N153 E154 A155Q147-E151 PolarHBondContact O-N 3.26Å; N148-E151 PolarHBondContact O-N 3.38Å; E151-N153 VanDerWaalsContact C-N 3.32Å; E151-N153 PolarHBondContact O-N 2.76Å; E151-E154 PolarHBondContact O-N 3.1Å; E151-A155 WeakPolarHBondContact O-CB 3.31Å; E151-A155 PolarHBondContact O-N 3.47Å
152E93.8Very high90.4Very high115 Ų115100.5 Ų100.554%0.53751%0.513SS..Hα-helixtrans-60.7-41.4175-77179.9-178.300111.5N148 A155 L156N148-E152 WeakPolarHBondContact O-CB 3.41Å; N148-E152 WeakPolarHBondContact O-CG 3.31Å; N148-E152 PolarHBondContact O-N 3.44Å; E152-A155 PolarHBondContact O-N 2.87Å; E152-L156 VanDerWaalsContact O-CB 3.31Å; E152-L156 WeakPolarHBondContact O-CB 3.37Å; E152-L156 WeakPolarHBondContact O-CG 3.37Å; E152-L156 PolarHBondContact O-N 3.35Å
153N90.6Very high89.2Confident88 Ų88100.5 Ų100.547%0.47151%0.513SS..Hα-helixtrans-64.2-39.6175.2-94.7-68.5000112.4F149 M150 E151 K157F149-N153 VanDerWaalsContact O-CB 3.28Å; F149-N153 WeakPolarHBondContact O-CB 3.4Å; F149-N153 PolarHBondContact O-N 2.9Å; F149-N153 VanDerWaalsContact O-N 3.08Å; F149-N153 PolarHBondContact O-ND2 3.42Å; M150-N153 PolarHBondContact O-N 2.86Å; E151-N153 VanDerWaalsContact C-N 3.32Å; E151-N153 PolarHBondContact O-N 2.76Å; N153-K157 WeakPolarHBondContact O-CB 3.48Å; N153-K157 VanDerWaalsContact O-CG 3.24Å; N153-K157 WeakPolarHBondContact O-CG 3.32Å; N153-K157 PolarHBondContact O-N 3.24Å
154E93.2Very high87.4Confident133 Ų133107.7 Ų107.762%0.62153%0.53SS*.Hα-helixtrans-66.3-46.6176.1-75-175.9175.300111.4M150 E151 L156 K157 E158M150-E154 WeakPolarHBondContact O-CG 3.35Å; M150-E154 PolarHBondContact O-N 3.44Å; E151-E154 PolarHBondContact O-N 3.1Å; E154-L156 VanDerWaalsContact C-N 3.34Å; E154-L156 PolarHBondContact O-N 3.47Å; E154-K157 WeakPolarHBondContact O-CB 3.25Å; E154-K157 PolarHBondContact O-N 3.07Å; E154-K157 VanDerWaalsContact O-N 3.14Å; E154-E158 PolarHBondContact O-N 2.98Å
155A90.8Very high85.3Confident41 Ų41111 Ų11134%0.33954%0.544SS..Hα-helixtrans-61.8-39.6176.400000112.4E151 E152 E158 K159E151-A155 WeakPolarHBondContact O-CB 3.31Å; E151-A155 PolarHBondContact O-N 3.47Å; E152-A155 PolarHBondContact O-N 2.87Å; A155-E158 PolarHBondContact O-N 3.17Å; A155-K159 WeakPolarHBondContact O-CB 3.36Å; A155-K159 VanDerWaalsContact O-CG 3.32Å; A155-K159 WeakPolarHBondContact O-CG 3.47Å; A155-K159 PolarHBondContact O-N 3.25Å
156L89.1Confident83Confident101 Ų101115.3 Ų115.353%0.52956%0.561SS.*Hα-helixtrans-65.8-40.6174-74.2171.7000111.8E152 E154 E158 L160E152-L156 VanDerWaalsContact O-CB 3.31Å; E152-L156 WeakPolarHBondContact O-CB 3.37Å; E152-L156 WeakPolarHBondContact O-CG 3.37Å; E152-L156 PolarHBondContact O-N 3.35Å; E154-L156 VanDerWaalsContact C-N 3.34Å; E154-L156 PolarHBondContact O-N 3.47Å; L156-E158 VanDerWaalsContact C-N 3.34Å; L156-L160 WeakPolarHBondContact O-CB 3.44Å; L156-L160 WeakPolarHBondContact O-CG 3.38Å; L156-L160 PolarHBondContact O-N 3.04Å
157K85Confident80.3Confident123 Ų123117.9 Ų117.954%0.53557%0.568SS.*Hα-helixtrans-64.2-38.9174.5-78.1171.2-176.5172.60111.8N153 E154 L160 R161N153-K157 WeakPolarHBondContact O-CB 3.48Å; N153-K157 VanDerWaalsContact O-CG 3.24Å; N153-K157 WeakPolarHBondContact O-CG 3.32Å; N153-K157 PolarHBondContact O-N 3.24Å; E154-K157 WeakPolarHBondContact O-CB 3.25Å; E154-K157 PolarHBondContact O-N 3.07Å; E154-K157 VanDerWaalsContact O-N 3.14Å; K157-L160 PolarHBondContact O-N 3.4Å; K157-R161 WeakPolarHBondContact O-CG 3.43Å; K157-R161 PolarHBondContact O-N 3.38Å
158E87.1Confident77.8Confident118 Ų118118 Ų11855%0.55158%0.578SS**Hα-helixtrans-66.7-49176.7-170.4170.5-15600111.2E154 A155 L156 L160 R161 E162E154-E158 PolarHBondContact O-N 2.98Å; A155-E158 PolarHBondContact O-N 3.17Å; L156-E158 VanDerWaalsContact C-N 3.34Å; E158-L160 VanDerWaalsContact C-N 3.26Å; E158-L160 PolarHBondContact O-N 3Å; E158-R161 CarbonylContact O-C 3.6Å; E158-R161 WeakPolarHBondContact O-CA 3.01Å; E158-R161 WeakPolarHBondContact O-CB 3.44Å; E158-R161 PolarHBondContact O-N 2.92Å; E158-E162 PolarHBondContact O-N 3.42Å
159K85.5Confident75.4Confident139 Ų139123.9 Ų123.960%0.60460%0.603SS**Hα-helixtrans-56.3-39172.7-73.7175.2-178177.10112.7A155 E162 A163A155-K159 WeakPolarHBondContact O-CB 3.36Å; A155-K159 VanDerWaalsContact O-CG 3.32Å; A155-K159 WeakPolarHBondContact O-CG 3.47Å; A155-K159 PolarHBondContact O-N 3.25Å; K159-E162 PolarHBondContact O-N 3.47Å; K159-A163 WeakPolarHBondContact O-CB 3.48Å; K159-A163 PolarHBondContact O-N 2.95Å
160L77.3Confident72.8Confident125 Ų125120.9 Ų120.965%0.65460%0.602SS**Hα-helixtrans-64.9-37.9173.4-87.4165.8000112.4L156 K157 E158 R164L156-L160 WeakPolarHBondContact O-CB 3.44Å; L156-L160 WeakPolarHBondContact O-CG 3.38Å; L156-L160 PolarHBondContact O-N 3.04Å; K157-L160 PolarHBondContact O-N 3.4Å; E158-L160 VanDerWaalsContact C-N 3.26Å; E158-L160 PolarHBondContact O-N 3Å; L160-R164 VanDerWaalsContact O-CB 3.24Å; L160-R164 WeakPolarHBondContact O-CB 3.37Å; L160-R164 PolarHBondContact O-N 2.99Å
161R79.2Confident70.3Confident182 Ų182119.2 Ų119.269%0.68762%0.617SS**Hα-helixtrans-68-44.7174.9-73.6174.1-178.7-174.31.4111.3K157 E158 R164 I165K157-R161 WeakPolarHBondContact O-CG 3.43Å; K157-R161 PolarHBondContact O-N 3.38Å; E158-R161 CarbonylContact O-C 3.6Å; E158-R161 WeakPolarHBondContact O-CA 3.01Å; E158-R161 WeakPolarHBondContact O-CB 3.44Å; E158-R161 PolarHBondContact O-N 2.92Å; R161-R164 CarbonylContact O-C 3.57Å; R161-R164 WeakPolarHBondContact O-CB 3.44Å; R161-R164 PolarHBondContact O-N 3.42Å; R161-I165 VanDerWaalsContact O-CG1 3.28Å; R161-I165 WeakPolarHBondContact O-CG1 3.32Å; R161-I165 PolarHBondContact O-N 3.47Å
162E76.4Confident68Low101 Ų101122.4 Ų122.447%0.47263%0.63SS.*Hα-helixtrans-65-43.1176.8-69-177.7164.700112.3E158 K159 R164 I165 N166E158-E162 PolarHBondContact O-N 3.42Å; K159-E162 PolarHBondContact O-N 3.47Å; E162-R164 PolarHBondContact O-N 2.95Å; E162-I165 CarbonylContact O-C 3.57Å; E162-I165 PolarHBondContact O-N 2.84Å; E162-N166 PolarHBondContact O-N 3.5Å; E162-N166 PolarHBondContact O-ND2 2.93Å
163A70.4Confident65.7Low61 Ų61124 Ų12450%0.50464%0.635SS.*Hα-helixtrans-64.4-29.7174.100000112.2K159 L167K159-A163 WeakPolarHBondContact O-CB 3.48Å; K159-A163 PolarHBondContact O-N 2.95Å; A163-L167 PolarHBondContact O-N 3.44Å
164R56.5Low63.6Low217 Ų217122.6 Ų122.682%0.81964%0.641SS**Hα-helixtrans-73.4-28.1171.9-167.8179.4-174.2-166.21.5112.6L160 R161 E162L160-R164 VanDerWaalsContact O-CB 3.24Å; L160-R164 WeakPolarHBondContact O-CB 3.37Å; L160-R164 PolarHBondContact O-N 2.99Å; R161-R164 CarbonylContact O-C 3.57Å; R161-R164 WeakPolarHBondContact O-CB 3.44Å; R161-R164 PolarHBondContact O-N 3.42Å; E162-R164 PolarHBondContact O-N 2.95Å
165I52.3Low61.6Low141 Ų141120.7 Ų120.772%0.72364%0.638SS**Hα-helixtrans-79.8-29.3174.6-66.9163000111.3R161 E162R161-I165 VanDerWaalsContact O-CG1 3.28Å; R161-I165 WeakPolarHBondContact O-CG1 3.32Å; R161-I165 PolarHBondContact O-N 3.47Å; E162-I165 CarbonylContact O-C 3.57Å; E162-I165 PolarHBondContact O-N 2.84Å
166N46.8Very low59.8Low129 Ų129120.5 Ų120.569%0.6964%0.64SS**SBendtrans-89.94.5-179.2-73.8-65000115.2E162E162-N166 PolarHBondContact O-N 3.5Å; E162-N166 PolarHBondContact O-ND2 2.93Å
167L38.7Very low58.2Low98 Ų98120.4 Ų120.451%0.51364%0.639SS.*SBendtrans-92.6116174.8-158.972.6000109.2A163 E169A163-L167 PolarHBondContact O-N 3.44Å; L167-E169 PolarHBondContact O-N 2.95Å
168P41.3Very low56.8Low110 Ų110120.7 Ų120.771%0.71464%0.642SS**  trans-62.3141.2175.427.6-31.4000108.9A170P168-A170 PolarHBondContact O-N 3.27Å
169E45.4Very low55.7Low200 Ų200121.1 Ų121.194%0.93564%0.644SS**  trans-7.5100.2174.9-66.6-174.5143.600115.9L167L167-E169 PolarHBondContact O-N 2.95Å
170A40.3Very low54.8Low64 Ų64120.8 Ų120.853%0.52965%0.645SS.*  trans-141.780.3166.900000110.4P168 K172P168-A170 PolarHBondContact O-N 3.27Å; A170-K172 PolarHBondContact O-N 3.25Å
171G42Very low54.4Low93 Ų93118.9 Ų118.996%0.95964%0.636SS**THydrogen-bonded Turntrans-6544.6173.200000115.3
172K46.8Very low54.4Low192 Ų192116.7 Ų116.784%0.83563%0.631SS**THydrogen-bonded Turntrans-133.30.4179.1-84.2-174.4177.6-179.40116.2A170A170-K172 PolarHBondContact O-N 3.25Å
173K44.8Very low54.5Low148 Ų148114 Ų11464%0.64363%0.626SS**Hα-helixtrans-93.12.3179.6-77-172.2177-179.10116I177K173-I177 WeakPolarHBondContact O-CD1 3.24Å
174G47.1Very low54.9Low58 Ų58115.6 Ų115.660%0.59863%0.626SS**Hα-helixtrans-77-28.3176.200000114.2
175V50.5Low56Low93 Ų93112.5 Ų112.556%0.56462%0.618SS**Hα-helixtrans-84-43.9-172.9-176.10000111.6I177 Q178 E179V175-I177 PolarHBondContact O-N 2.99Å; V175-Q178 PolarHBondContact O-N 2.88Å; V175-E179 PolarHBondContact O-N 2.94Å; V175-E179 VanDerWaalsContact O-N 3.12Å
176G53.7Low57.6Low37 Ų37112.4 Ų112.438%0.38162%0.615SS.*Hα-helixtrans-66-38.1-178.100000114.6Q178 E179 E180G176-Q178 VanDerWaalsContact C-N 3.26Å; G176-Q178 PolarHBondContact O-N 2.94Å; G176-E179 PolarHBondContact O-N 3.46Å; G176-E180 PolarHBondContact O-N 3.25Å
177I54.8Low59.3Low99 Ų99112 Ų11251%0.50861%0.609SS.*Hα-helixtrans-68.5-29.5178.2-61.7173.7000111K173 V175 N181K173-I177 WeakPolarHBondContact O-CD1 3.24Å; V175-I177 PolarHBondContact O-N 2.99Å; I177-N181 WeakPolarHBondContact O-CB 3.37Å; I177-N181 PolarHBondContact O-N 3.16Å; I177-N181 VanDerWaalsContact O-N 3.12Å; I177-N181 PolarHBondContact O-ND2 3.45Å
178Q57.2Low61.2Low129 Ų129113.1 Ų113.160%0.60361%0.614SS**Hα-helixtrans-78.8-32.1178.9-149.1176.215.600111.8V175 G176 K182V175-Q178 PolarHBondContact O-N 2.88Å; G176-Q178 VanDerWaalsContact C-N 3.26Å; G176-Q178 PolarHBondContact O-N 2.94Å; Q178-K182 WeakPolarHBondContact O-CG 3.27Å; Q178-K182 PolarHBondContact O-N 3.42Å
179E64Low63.4Low128 Ų128114.3 Ų114.360%0.59861%0.608SS**Hα-helixtrans-71.3-44.6171.2-74.4177.7166.500111.9V175 G176 N181 K182 A183V175-E179 PolarHBondContact O-N 2.94Å; V175-E179 VanDerWaalsContact O-N 3.12Å; G176-E179 PolarHBondContact O-N 3.46Å; E179-N181 PolarHBondContact O-N 3.04Å; E179-K182 PolarHBondContact O-N 2.85Å; E179-K182 VanDerWaalsContact O-N 3.1Å; E179-A183 PolarHBondContact O-N 2.92Å
180E65Low65.5Low131 Ų131108.2 Ų108.261%0.61259%0.585SS**Hα-helixtrans-60.6-41.6174.4-81-180163.200112.3G176 K182 A183 L184G176-E180 PolarHBondContact O-N 3.25Å; E180-K182 VanDerWaalsContact C-N 3.27Å; E180-K182 PolarHBondContact O-N 2.95Å; E180-A183 PolarHBondContact O-N 3.06Å; E180-L184 WeakPolarHBondContact O-CB 3.36Å; E180-L184 WeakPolarHBondContact O-CD1 3.47Å; E180-L184 VanDerWaalsContact O-CG 3.27Å; E180-L184 WeakPolarHBondContact O-CG 3.49Å; E180-L184 PolarHBondContact O-N 3.3Å
181N70.1Confident67.7Low86 Ų86110 Ų11046%0.4659%0.585SS.*Hα-helixtrans-67-26.1175.9-87.7-72.5000113.6I177 E179 K185I177-N181 WeakPolarHBondContact O-CB 3.37Å; I177-N181 PolarHBondContact O-N 3.16Å; I177-N181 VanDerWaalsContact O-N 3.12Å; I177-N181 PolarHBondContact O-ND2 3.45Å; E179-N181 PolarHBondContact O-N 3.04Å; N181-K185 VanDerWaalsContact O-CG 3.31Å; N181-K185 WeakPolarHBondContact O-CG 3.48Å; N181-K185 PolarHBondContact O-N 3.41Å
182K78.1Confident69.9Low135 Ų135113.1 Ų113.159%0.58757%0.572SS**Hα-helixtrans-77.2-45.8173.4-77.5176.4179.7-179.50110.7Q178 E179 E180 L184 K185 E186Q178-K182 WeakPolarHBondContact O-CG 3.27Å; Q178-K182 PolarHBondContact O-N 3.42Å; E179-K182 PolarHBondContact O-N 2.85Å; E179-K182 VanDerWaalsContact O-N 3.1Å; E180-K182 VanDerWaalsContact C-N 3.27Å; E180-K182 PolarHBondContact O-N 2.95Å; K182-L184 PolarHBondContact O-N 2.87Å; K182-K185 PolarHBondContact O-N 3.48Å; K182-K185 VanDerWaalsContact O-N 3.15Å; K182-E186 PolarHBondContact O-N 3.26Å
183A79.8Confident72Confident45 Ų45108.6 Ų108.637%0.37255%0.554SS.*Hα-helixtrans-58.1-46.8175.800000111.7E179 E180 K185 E186 E187E179-A183 PolarHBondContact O-N 2.92Å; E180-A183 PolarHBondContact O-N 3.06Å; A183-K185 VanDerWaalsContact C-N 3.3Å; A183-K185 PolarHBondContact O-N 3.28Å; A183-E186 PolarHBondContact O-N 3.46Å; A183-E186 VanDerWaalsContact O-N 3.13Å; A183-E187 PolarHBondContact O-N 2.92Å
184L77.8Confident74Confident95 Ų95107.3 Ų107.350%0.49755%0.55SS.*Hα-helixtrans-62-34.4176.7-74.6166.1000113E180 K182 L188E180-L184 WeakPolarHBondContact O-CB 3.36Å; E180-L184 WeakPolarHBondContact O-CD1 3.47Å; E180-L184 VanDerWaalsContact O-CG 3.27Å; E180-L184 WeakPolarHBondContact O-CG 3.49Å; E180-L184 PolarHBondContact O-N 3.3Å; K182-L184 PolarHBondContact O-N 2.87Å; L184-L188 WeakPolarHBondContact O-CB 3.43Å; L184-L188 VanDerWaalsContact O-CG 3.32Å; L184-L188 WeakPolarHBondContact O-CG 3.46Å; L184-L188 PolarHBondContact O-N 3.29Å
185K80.1Confident75.9Confident151 Ų151110.2 Ų110.266%0.65755%0.551SS**Hα-helixtrans-71.1-35.4175.3-81.4178.9-179.8-178.50112.4N181 K182 A183 K189N181-K185 VanDerWaalsContact O-CG 3.31Å; N181-K185 WeakPolarHBondContact O-CG 3.48Å; N181-K185 PolarHBondContact O-N 3.41Å; K182-K185 PolarHBondContact O-N 3.48Å; K182-K185 VanDerWaalsContact O-N 3.15Å; A183-K185 VanDerWaalsContact C-N 3.3Å; A183-K185 PolarHBondContact O-N 3.28Å; K185-K189 WeakPolarHBondContact O-CB 3.48Å; K185-K189 PolarHBondContact O-N 3.07Å; K185-K189 VanDerWaalsContact O-N 3.1Å
186E84.6Confident77.8Confident140 Ų140110.8 Ų110.865%0.65455%0.548SS*.Hα-helixtrans-67.9-44.7174.4-72.8-177.9177.400111K182 A183 L188 K189 T190K182-E186 PolarHBondContact O-N 3.26Å; A183-E186 PolarHBondContact O-N 3.46Å; A183-E186 VanDerWaalsContact O-N 3.13Å; E186-L188 PolarHBondContact O-N 3.27Å; E186-K189 WeakPolarHBondContact O-CB 3.45Å; E186-K189 PolarHBondContact O-N 2.86Å; E186-K189 VanDerWaalsContact O-N 3.09Å; E186-T190 WeakPolarHBondContact O-CG2 3.49Å; E186-T190 PolarHBondContact O-N 3.37Å; E186-T190 PolarHBondContact O-OG1 3.45Å
187E84.4Confident79.5Confident121 Ų121113.5 Ų113.557%0.56555%0.554SS**Hα-helixtrans-61-41.3173.9-71.9-177.4179.300112.6A183 K189 T190 L191A183-E187 PolarHBondContact O-N 2.92Å; E187-K189 VanDerWaalsContact C-N 3.25Å; E187-K189 PolarHBondContact O-N 3.36Å; E187-T190 WeakPolarHBondContact CA-OG1 3.15Å; E187-T190 PolarHBondContact O-N 2.84Å; E187-T190 PolarHBondContact O-OG1 3.3Å; E187-L191 WeakPolarHBondContact O-CB 3.44Å; E187-L191 PolarHBondContact O-N 3.1Å
188L78.3Confident81.1Confident120 Ų120113 Ų11363%0.62856%0.556SS**Hα-helixtrans-63.7-32.8174.3-78.1-179.1000112.5L184 E186 K192L184-L188 WeakPolarHBondContact O-CB 3.43Å; L184-L188 VanDerWaalsContact O-CG 3.32Å; L184-L188 WeakPolarHBondContact O-CG 3.46Å; L184-L188 PolarHBondContact O-N 3.29Å; E186-L188 PolarHBondContact O-N 3.27Å; L188-K192 VanDerWaalsContact O-CB 3.25Å; L188-K192 WeakPolarHBondContact O-CB 3.32Å; L188-K192 PolarHBondContact O-N 2.97Å; L188-K192 VanDerWaalsContact O-N 3.15Å
189K87.4Confident82.7Confident135 Ų135114 Ų11459%0.58756%0.558SS**Hα-helixtrans-73.1-46.6177.7-169.4-174.9173.9-1660111K185 E186 E187 K192 E193K185-K189 WeakPolarHBondContact O-CB 3.48Å; K185-K189 PolarHBondContact O-N 3.07Å; K185-K189 VanDerWaalsContact O-N 3.1Å; E186-K189 WeakPolarHBondContact O-CB 3.45Å; E186-K189 PolarHBondContact O-N 2.86Å; E186-K189 VanDerWaalsContact O-N 3.09Å; E187-K189 VanDerWaalsContact C-N 3.25Å; E187-K189 PolarHBondContact O-N 3.36Å; K189-K192 PolarHBondContact O-N 3.46Å; K189-E193 PolarHBondContact O-N 3.24Å
190T88.3Confident84.1Confident72 Ų72113.2 Ų113.244%0.44255%0.553SS.*Hα-helixtrans-64.6-41.7178.257.10000111.5E186 E187 K192 E193 Q194E186-T190 WeakPolarHBondContact O-CG2 3.49Å; E186-T190 PolarHBondContact O-N 3.37Å; E186-T190 PolarHBondContact O-OG1 3.45Å; E187-T190 WeakPolarHBondContact CA-OG1 3.15Å; E187-T190 PolarHBondContact O-N 2.84Å; E187-T190 PolarHBondContact O-OG1 3.3Å; T190-K192 VanDerWaalsContact C-N 3.28Å; T190-K192 PolarHBondContact O-N 3.34Å; T190-E193 PolarHBondContact O-N 3.08Å; T190-Q194 WeakPolarHBondContact O-CG 3.15Å; T190-Q194 PolarHBondContact O-N 2.93Å
191L86.2Confident85.3Confident103 Ų103110 Ų11054%0.53955%0.548SS..Hα-helixtrans-65-34.5177.2-163.770.7000111.7E187 L195E187-L191 WeakPolarHBondContact O-CB 3.44Å; E187-L191 PolarHBondContact O-N 3.1Å; L191-L195 VanDerWaalsContact O-CB 3.29Å; L191-L195 WeakPolarHBondContact O-CB 3.36Å; L191-L195 PolarHBondContact O-N 3.26Å
192K88.8Confident86.2Confident158 Ų158111.5 Ų111.569%0.68756%0.556SS**Hα-helixtrans-68.8-39.3174.4-170.4174.5-174.9178.50112.5L188 K189 T190 L195 Q196L188-K192 VanDerWaalsContact O-CB 3.25Å; L188-K192 WeakPolarHBondContact O-CB 3.32Å; L188-K192 PolarHBondContact O-N 2.97Å; L188-K192 VanDerWaalsContact O-N 3.15Å; K189-K192 PolarHBondContact O-N 3.46Å; T190-K192 VanDerWaalsContact C-N 3.28Å; T190-K192 PolarHBondContact O-N 3.34Å; K192-L195 PolarHBondContact O-N 3.12Å; K192-Q196 PolarHBondContact O-N 3.16Å
193E90.3Very high86.8Confident96 Ų96111.3 Ų111.345%0.44956%0.557SS.*Hα-helixtrans-64.2-47173.5-78.3171.4-17200111K189 T190 L195 Q196 D197K189-E193 PolarHBondContact O-N 3.24Å; T190-E193 PolarHBondContact O-N 3.08Å; E193-L195 VanDerWaalsContact C-N 3.32Å; E193-L195 PolarHBondContact O-N 3.32Å; E193-Q196 WeakPolarHBondContact O-CB 3.43Å; E193-Q196 PolarHBondContact O-N 3.27Å; E193-Q196 VanDerWaalsContact O-N 3.09Å; E193-D197 PolarHBondContact O-N 3.46Å
194Q88.6Confident87.5Confident121 Ų121115.9 Ų115.957%0.56557%0.568SS**Hα-helixtrans-59.8-39.7175-72.2179.1-9.100112.7T190 Q196 D197 T198T190-Q194 WeakPolarHBondContact O-CG 3.15Å; T190-Q194 PolarHBondContact O-N 2.93Å; Q194-Q196 VanDerWaalsContact C-N 3.32Å; Q194-D197 PolarHBondContact O-N 3.1Å; Q194-T198 WeakPolarHBondContact O-CB 3.39Å; Q194-T198 VanDerWaalsContact O-CG2 3.3Å; Q194-T198 WeakPolarHBondContact O-CG2 3.21Å; Q194-T198 PolarHBondContact O-N 3.47Å; Q194-T198 PolarHBondContact O-OG1 2.93Å
195L85.1Confident88Confident119 Ų119114.4 Ų114.462%0.62357%0.566SS**Hα-helixtrans-67.4-34.1176.7-168.6132.9000111.9L191 K192 E193 T198 K199L191-L195 VanDerWaalsContact O-CB 3.29Å; L191-L195 WeakPolarHBondContact O-CB 3.36Å; L191-L195 PolarHBondContact O-N 3.26Å; K192-L195 PolarHBondContact O-N 3.12Å; E193-L195 VanDerWaalsContact C-N 3.32Å; E193-L195 PolarHBondContact O-N 3.32Å; L195-T198 WeakPolarHBondContact CA-OG1 3.29Å; L195-T198 PolarHBondContact O-OG1 3.35Å; L195-T198 VanDerWaalsContact O-OG1 3.08Å; L195-K199 VanDerWaalsContact O-CB 3.25Å; L195-K199 WeakPolarHBondContact O-CB 3.16Å; L195-K199 PolarHBondContact O-N 2.92Å; L195-K199 VanDerWaalsContact O-N 3.13Å
196Q90.6Very high88.5Confident105 Ų105113.8 Ų113.849%0.49157%0.565SS.*Hα-helixtrans-71.4-40175.1-170.5176.6-4.700111.9K192 E193 Q194 K199 K200K192-Q196 PolarHBondContact O-N 3.16Å; E193-Q196 WeakPolarHBondContact O-CB 3.43Å; E193-Q196 PolarHBondContact O-N 3.27Å; E193-Q196 VanDerWaalsContact O-N 3.09Å; Q194-Q196 VanDerWaalsContact C-N 3.32Å; Q196-K199 PolarHBondContact O-N 3.29Å; Q196-K200 WeakPolarHBondContact O-CG 3.3Å; Q196-K200 PolarHBondContact O-N 3.43Å
197D91.1Very high88.8Confident94 Ų94110 Ų11050%0.50355%0.554SS.*Hα-helixtrans-71.7-42.4179.9-72.6-18.8000112.3E193 Q194 K199 K200 A201E193-D197 PolarHBondContact O-N 3.46Å; Q194-D197 PolarHBondContact O-N 3.1Å; D197-K199 VanDerWaalsContact C-N 3.31Å; D197-K199 PolarHBondContact O-N 3.33Å; D197-K200 PolarHBondContact O-N 3.49Å; D197-K200 IonicContact OD1-NZ 3.9Å; D197-A201 WeakPolarHBondContact O-CB 3.35Å; D197-A201 PolarHBondContact O-N 3.41Å
198T87.4Confident89.2Confident90 Ų90108.2 Ų108.255%0.55255%0.549SS*.Hα-helixtrans-61-39.5172.149.30000111.7Q194 L195 A201 L202Q194-T198 WeakPolarHBondContact O-CB 3.39Å; Q194-T198 VanDerWaalsContact O-CG2 3.3Å; Q194-T198 WeakPolarHBondContact O-CG2 3.21Å; Q194-T198 PolarHBondContact O-N 3.47Å; Q194-T198 PolarHBondContact O-OG1 2.93Å; L195-T198 WeakPolarHBondContact CA-OG1 3.29Å; L195-T198 PolarHBondContact O-OG1 3.35Å; L195-T198 VanDerWaalsContact O-OG1 3.08Å; T198-A201 PolarHBondContact O-N 3.46Å; T198-L202 WeakPolarHBondContact O-CB 3.04Å; T198-L202 PolarHBondContact O-N 2.89Å
199K91.2Very high89.9Confident148 Ų148107 Ų10764%0.64355%0.546SS*.Hα-helixtrans-62.8-42.5174.2-175.4174.7-177.9175.50112.6L195 Q196 D197 L202 Q203L195-K199 VanDerWaalsContact O-CB 3.25Å; L195-K199 WeakPolarHBondContact O-CB 3.16Å; L195-K199 PolarHBondContact O-N 2.92Å; L195-K199 VanDerWaalsContact O-N 3.13Å; Q196-K199 PolarHBondContact O-N 3.29Å; D197-K199 VanDerWaalsContact C-N 3.31Å; D197-K199 PolarHBondContact O-N 3.33Å; K199-L202 PolarHBondContact O-N 3.33Å; K199-Q203 PolarHBondContact O-N 2.8Å
200K92.2Very high90Very high113 Ų113103.5 Ų103.549%0.49154%0.539SS..Hα-helixtrans-64.5-42.1175.3-73.1172.2-174.4164.10111.6Q196 D197 Q203 K204Q196-K200 WeakPolarHBondContact O-CG 3.3Å; Q196-K200 PolarHBondContact O-N 3.43Å; D197-K200 PolarHBondContact O-N 3.49Å; D197-K200 IonicContact OD1-NZ 3.9Å; K200-Q203 PolarHBondContact O-N 2.89Å; K200-K204 PolarHBondContact O-N 2.87Å
201A91.8Very high90.2Very high63 Ų63102.1 Ų102.152%0.52153%0.534SS..Hα-helixtrans-62.8-42.417700000111.7D197 T198 K204 S205D197-A201 WeakPolarHBondContact O-CB 3.35Å; D197-A201 PolarHBondContact O-N 3.41Å; T198-A201 PolarHBondContact O-N 3.46Å; A201-K204 PolarHBondContact O-N 3.38Å; A201-S205 PolarHBondContact O-N 3.18Å
202L88.9Confident90.4Very high118 Ų118103.3 Ų103.362%0.61854%0.539SS*.Hα-helixtrans-62.5-45.6176.3-171.968.5000111.6T198 K199 K204 S205 E206T198-L202 WeakPolarHBondContact O-CB 3.04Å; T198-L202 PolarHBondContact O-N 2.89Å; K199-L202 PolarHBondContact O-N 3.33Å; L202-K204 VanDerWaalsContact C-N 3.32Å; L202-K204 PolarHBondContact O-N 3.04Å; L202-S205 PolarHBondContact O-N 2.94Å; L202-E206 WeakPolarHBondContact O-CB 3.49Å; L202-E206 PolarHBondContact O-N 2.9Å
203Q90.8Very high90.6Very high131 Ų131102.2 Ų102.261%0.61253%0.534SS*.Hα-helixtrans-63-38.8178.4-170.3178.81.300112.2K199 K200 E206 S207K199-Q203 PolarHBondContact O-N 2.8Å; K200-Q203 PolarHBondContact O-N 2.89Å; Q203-E206 PolarHBondContact O-N 3.12Å; Q203-S207 PolarHBondContact O-N 3.29Å
204K93.6Very high90.7Very high140 Ų140104.1 Ų104.161%0.60954%0.541SS*.Hα-helixtrans-63.5-48.1173.7-172.1179.1178.2-176.20111K200 A201 L202 E206 S207 D208K200-K204 PolarHBondContact O-N 2.87Å; A201-K204 PolarHBondContact O-N 3.38Å; L202-K204 VanDerWaalsContact C-N 3.32Å; L202-K204 PolarHBondContact O-N 3.04Å; K204-E206 VanDerWaalsContact C-N 3.3Å; K204-E206 PolarHBondContact O-N 2.95Å; K204-S207 PolarHBondContact O-N 3.24Å; K204-S207 VanDerWaalsContact O-N 3.15Å; K204-S207 PolarHBondContact O-OG 3.26Å; K204-D208 PolarHBondContact O-N 3.32Å
205S88.7Confident90.9Very high65 Ų65104.6 Ų104.646%0.45554%0.543SS..Hα-helixtrans-59.3-39.4177-172.90000112.5A201 L202 D208 V209A201-S205 PolarHBondContact O-N 3.18Å; L202-S205 PolarHBondContact O-N 2.94Å; S205-D208 PolarHBondContact O-N 2.93Å; S205-V209 VanDerWaalsContact O-CG2 3.31Å; S205-V209 WeakPolarHBondContact O-CG2 3.45Å; S205-V209 PolarHBondContact O-N 3.45Å
206E89.9Confident91.2Very high137 Ų137101.3 Ų101.364%0.6453%0.533SS*.Hα-helixtrans-65.8-40.5177.1-169.5177.2-177.800111.6L202 Q203 K204 V209 S210L202-E206 WeakPolarHBondContact O-CB 3.49Å; L202-E206 PolarHBondContact O-N 2.9Å; Q203-E206 PolarHBondContact O-N 3.12Å; K204-E206 VanDerWaalsContact C-N 3.3Å; K204-E206 PolarHBondContact O-N 2.95Å; E206-V209 PolarHBondContact O-N 2.98Å; E206-S210 WeakPolarHBondContact O-CB 3.4Å; E206-S210 PolarHBondContact O-N 2.89Å
207S90.9Very high91.2Very high60 Ų60101 Ų10142%0.4253%0.532SS..Hα-helixtrans-63.6-41.2174.269.80000112.5Q203 K204 S210 A211Q203-S207 PolarHBondContact O-N 3.29Å; K204-S207 PolarHBondContact O-N 3.24Å; K204-S207 VanDerWaalsContact O-N 3.15Å; K204-S207 PolarHBondContact O-OG 3.26Å; S207-S210 PolarHBondContact O-N 3.24Å; S207-S210 PolarHBondContact O-OG 2.93Å; S207-A211 WeakPolarHBondContact O-CB 3.39Å; S207-A211 PolarHBondContact O-N 3.33Å
208D92.6Very high91.3Very high85 Ų85101.9 Ų101.946%0.45554%0.536SS..Hα-helixtrans-64.8-44.1177.5-68.5-21000110.9K204 S205 S210 A211 M212K204-D208 PolarHBondContact O-N 3.32Å; S205-D208 PolarHBondContact O-N 2.93Å; D208-S210 VanDerWaalsContact C-N 3.33Å; D208-S210 PolarHBondContact O-N 3.45Å; D208-A211 PolarHBondContact O-N 2.97Å; D208-M212 WeakPolarHBondContact O-CG 3.34Å; D208-M212 PolarHBondContact O-N 3.49Å
209V92.6Very high91.6Very high94 Ų94103.6 Ų103.657%0.5754%0.542SS*.Hα-helixtrans-60.9-41.8174.7170.30000111.3S205 E206 A211 M212 K213S205-V209 VanDerWaalsContact O-CG2 3.31Å; S205-V209 WeakPolarHBondContact O-CG2 3.45Å; S205-V209 PolarHBondContact O-N 3.45Å; E206-V209 PolarHBondContact O-N 2.98Å; V209-A211 VanDerWaalsContact C-N 3.32Å; V209-A211 PolarHBondContact O-N 3.4Å; V209-M212 PolarHBondContact O-N 3.01Å; V209-K213 WeakPolarHBondContact O-CB 3.4Å; V209-K213 PolarHBondContact O-N 3.42Å
210S90.5Very high91.5Very high61 Ų61102.5 Ų102.543%0.42754%0.54SS..Hα-helixtrans-65-3717782.20000112.4E206 S207 D208 K213 K214E206-S210 WeakPolarHBondContact O-CB 3.4Å; E206-S210 PolarHBondContact O-N 2.89Å; S207-S210 PolarHBondContact O-N 3.24Å; S207-S210 PolarHBondContact O-OG 2.93Å; D208-S210 VanDerWaalsContact C-N 3.33Å; D208-S210 PolarHBondContact O-N 3.45Å; S210-K213 PolarHBondContact O-N 2.88Å; S210-K214 WeakPolarHBondContact O-CG 3.4Å; S210-K214 PolarHBondContact O-N 2.84Å; S210-K214 VanDerWaalsContact O-N 3.15Å
211A92.8Very high91.5Very high43 Ų43101.7 Ų101.736%0.35555%0.545SS..Hα-helixtrans-68.3-44.917600000111S207 D208 V209 K213 K214 Q215S207-A211 WeakPolarHBondContact O-CB 3.39Å; S207-A211 PolarHBondContact O-N 3.33Å; D208-A211 PolarHBondContact O-N 2.97Å; V209-A211 VanDerWaalsContact C-N 3.32Å; V209-A211 PolarHBondContact O-N 3.4Å; A211-K213 VanDerWaalsContact C-N 3.3Å; A211-K213 PolarHBondContact O-N 3.49Å; A211-K214 PolarHBondContact O-N 3.45Å; A211-Q215 WeakPolarHBondContact O-CG 3.12Å; A211-Q215 PolarHBondContact O-N 3.34Å
212M90.5Very high91.6Very high128 Ų128103.8 Ų103.863%0.63154%0.544SS*.Hα-helixtrans-60.9-39.4175.3-71.1-163.282.600111.9D208 V209 Q215 A216D208-M212 WeakPolarHBondContact O-CG 3.34Å; D208-M212 PolarHBondContact O-N 3.49Å; V209-M212 PolarHBondContact O-N 3.01Å; M212-Q215 PolarHBondContact O-N 2.83Å; M212-A216 WeakPolarHBondContact O-CB 3.49Å; M212-A216 PolarHBondContact O-N 3.15Å
213K92.1Very high91.7Very high135 Ų135105.4 Ų105.459%0.58754%0.543SS*.Hα-helixtrans-62.2-46.1176.3-171.7177.3177.4-1770111.9V209 S210 A211 Q215 A216 E217V209-K213 WeakPolarHBondContact O-CB 3.4Å; V209-K213 PolarHBondContact O-N 3.42Å; S210-K213 PolarHBondContact O-N 2.88Å; A211-K213 VanDerWaalsContact C-N 3.3Å; A211-K213 PolarHBondContact O-N 3.49Å; K213-Q215 VanDerWaalsContact C-N 3.32Å; K213-Q215 PolarHBondContact O-N 3.3Å; K213-A216 PolarHBondContact O-N 3.33Å; K213-E217 VanDerWaalsContact CE-OE1 3.24Å; K213-E217 WeakPolarHBondContact CE-OE1 3.25Å; K213-E217 WeakPolarHBondContact O-CG 3.3Å; K213-E217 PolarHBondContact O-N 2.99Å
214K92.8Very high91.8Very high137 Ų137103.3 Ų103.360%0.59654%0.536SS*.Hα-helixtrans-62.2-39.4175.4-71.8178.2-179.4179.70112.3S210 A211 E217 N218S210-K214 WeakPolarHBondContact O-CG 3.4Å; S210-K214 PolarHBondContact O-N 2.84Å; S210-K214 VanDerWaalsContact O-N 3.15Å; A211-K214 PolarHBondContact O-N 3.45Å; K214-E217 PolarHBondContact O-N 3.36Å; K214-N218 WeakPolarHBondContact O-CB 3.27Å; K214-N218 VanDerWaalsContact O-CG 3.29Å; K214-N218 PolarHBondContact O-N 3.36Å
215Q92.7Very high91.8Very high130 Ų130103 Ų10361%0.60753%0.531SS*.Hα-helixtrans-63.8-42.4175.5-73.5175.9-5.200111.6A211 M212 K213 N218 L219A211-Q215 WeakPolarHBondContact O-CG 3.12Å; A211-Q215 PolarHBondContact O-N 3.34Å; M212-Q215 PolarHBondContact O-N 2.83Å; K213-Q215 VanDerWaalsContact C-N 3.32Å; K213-Q215 PolarHBondContact O-N 3.3Å; Q215-N218 PolarHBondContact O-N 3.46Å; Q215-L219 WeakPolarHBondContact O-CB 3.34Å; Q215-L219 PolarHBondContact O-N 3.07Å
216A91.2Very high92Very high51 Ų51105.4 Ų105.442%0.42154%0.538SS..Hα-helixtrans-65.4-43176.900000112.2M212 K213 L219 M220M212-A216 WeakPolarHBondContact O-CB 3.49Å; M212-A216 PolarHBondContact O-N 3.15Å; K213-A216 PolarHBondContact O-N 3.33Å; A216-L219 PolarHBondContact O-N 3.3Å; A216-M220 WeakPolarHBondContact O-CG 3.45Å; A216-M220 PolarHBondContact O-N 3.48Å
217E91.3Very high91.9Very high99 Ų99103 Ų10346%0.46353%0.529SS..Hα-helixtrans-60.5-46.4175.2-75171.6-173.500111.3K213 K214 L219 M220 V221K213-E217 VanDerWaalsContact CE-OE1 3.24Å; K213-E217 WeakPolarHBondContact CE-OE1 3.25Å; K213-E217 WeakPolarHBondContact O-CG 3.3Å; K213-E217 PolarHBondContact O-N 2.99Å; K214-E217 PolarHBondContact O-N 3.36Å; E217-L219 VanDerWaalsContact C-N 3.33Å; E217-L219 PolarHBondContact O-N 2.93Å; E217-M220 PolarHBondContact O-N 3.07Å; E217-V221 WeakPolarHBondContact O-CG2 3.14Å; E217-V221 PolarHBondContact O-N 3.34Å; E217-V221 VanDerWaalsContact O-N 3.12Å
218N93.1Very high91.9Very high111 Ų111105.6 Ų105.659%0.59453%0.534SS*.Hα-helixtrans-62.2-40.1176-73.6-10.4000112.2K214 Q215 M220 V221 E222K214-N218 WeakPolarHBondContact O-CB 3.27Å; K214-N218 VanDerWaalsContact O-CG 3.29Å; K214-N218 PolarHBondContact O-N 3.36Å; Q215-N218 PolarHBondContact O-N 3.46Å; N218-M220 VanDerWaalsContact C-N 3.35Å; N218-V221 PolarHBondContact O-N 3.5Å; N218-E222 PolarHBondContact O-N 2.92Å; N218-E222 VanDerWaalsContact O-N 3.1Å
219L92.8Very high91.9Very high126 Ų126105.4 Ų105.466%0.6653%0.531SS*.Hα-helixtrans-64.5-39.3177.4-17564.4000111.8Q215 A216 E217 E222 Y223Q215-L219 WeakPolarHBondContact O-CB 3.34Å; Q215-L219 PolarHBondContact O-N 3.07Å; A216-L219 PolarHBondContact O-N 3.3Å; E217-L219 VanDerWaalsContact C-N 3.33Å; E217-L219 PolarHBondContact O-N 2.93Å; L219-E222 PolarHBondContact O-N 3.43Å; L219-Y223 WeakPolarHBondContact O-CB 3.45Å; L219-Y223 PolarHBondContact O-N 3.49Å
220M89.2Confident91.6Very high125 Ų125106.6 Ų106.662%0.61653%0.53SS*.Hα-helixtrans-62.5-42.1175-75-175.165.200111.9A216 E217 N218 Y223 D224A216-M220 WeakPolarHBondContact O-CG 3.45Å; A216-M220 PolarHBondContact O-N 3.48Å; E217-M220 PolarHBondContact O-N 3.07Å; N218-M220 VanDerWaalsContact C-N 3.35Å; M220-Y223 WeakPolarHBondContact O-CB 3.37Å; M220-Y223 PolarHBondContact O-N 2.74Å; M220-D224 PolarHBondContact O-N 3.47Å
221V93.6Very high91.5Very high97 Ų97106.8 Ų106.859%0.58853%0.531SS*.Hα-helixtrans-63.4-44.4178.31730000111.6E217 N218 Y223 D224 R225E217-V221 WeakPolarHBondContact O-CG2 3.14Å; E217-V221 PolarHBondContact O-N 3.34Å; E217-V221 VanDerWaalsContact O-N 3.12Å; N218-V221 PolarHBondContact O-N 3.5Å; V221-Y223 VanDerWaalsContact C-N 3.32Å; V221-D224 PolarHBondContact O-N 3.35Å; V221-R225 WeakPolarHBondContact O-CB 3.46Å; V221-R225 PolarHBondContact O-N 2.86Å
222E92.7Very high91.2Very high107 Ų107111.2 Ų111.250%0.554%0.543SS..Hα-helixtrans-66.3-36.1175.9-72.6-64.5169.100111.8N218 L219 R225 L226N218-E222 PolarHBondContact O-N 2.92Å; N218-E222 VanDerWaalsContact O-N 3.1Å; L219-E222 PolarHBondContact O-N 3.43Å; E222-R225 PolarHBondContact O-N 2.9Å; E222-R225 IonicContact OE2-NH1 3.34Å; E222-L226 WeakPolarHBondContact O-CB 3.35Å; E222-L226 PolarHBondContact O-N 3.18Å
223Y91.6Very high91Very high152 Ų152110.8 Ų110.860%0.59654%0.542SS*.Hα-helixtrans-62.8-46.6174.4-171.9-99.7000112.1L219 M220 V221 R225 L226 L227L219-Y223 WeakPolarHBondContact O-CB 3.45Å; L219-Y223 PolarHBondContact O-N 3.49Å; M220-Y223 WeakPolarHBondContact O-CB 3.37Å; M220-Y223 PolarHBondContact O-N 2.74Å; V221-Y223 VanDerWaalsContact C-N 3.32Å; Y223-R225 VanDerWaalsContact C-N 3.33Å; Y223-R225 PolarHBondContact O-N 3.35Å; Y223-L226 PolarHBondContact O-N 2.91Å; Y223-L227 HydrophobicContact CD1-CD1 3.64Å; Y223-L227 HydrophobicContact CE1-CD1 3.31Å; Y223-L227 HydrophobicContact CE1-CG 4.22Å; Y223-L227 PolarHBondContact O-N 3.5Å
224D92.9Very high90.3Very high87 Ų87109.6 Ų109.647%0.46554%0.539SS..Hα-helixtrans-62.3-40.2176.3-78-14.5000111.8M220 V221 L227 Q228M220-D224 PolarHBondContact O-N 3.47Å; V221-D224 PolarHBondContact O-N 3.35Å; D224-L227 PolarHBondContact O-N 3.41Å; D224-Q228 WeakPolarHBondContact O-CG 3.33Å; D224-Q228 PolarHBondContact O-N 3.45Å
225R93Very high89.7Confident134 Ų134105.5 Ų105.551%0.50653%0.53SS..Hα-helixtrans-61.3-46.1174.4-179.5-174.9170.2-177.30.4111.5V221 E222 Y223 L227 Q228 E229V221-R225 WeakPolarHBondContact O-CB 3.46Å; V221-R225 PolarHBondContact O-N 2.86Å; E222-R225 PolarHBondContact O-N 2.9Å; E222-R225 IonicContact OE2-NH1 3.34Å; Y223-R225 VanDerWaalsContact C-N 3.33Å; Y223-R225 PolarHBondContact O-N 3.35Å; R225-L227 VanDerWaalsContact C-N 3.34Å; R225-L227 PolarHBondContact O-N 3.03Å; R225-Q228 WeakPolarHBondContact O-CB 3.39Å; R225-Q228 PolarHBondContact O-N 3.41Å; R225-E229 IonicContact CZ-OE1 3.66Å; R225-E229 IonicContact NE-OE1 3.03Å; R225-E229 PolarHBondContact NE-OE1 3.31Å; R225-E229 IonicContact NH2-OE1 3.41Å; R225-E229 PolarHBondContact NH2-OE1 3.06Å; R225-E229 PolarHBondContact O-N 3.04Å
226L92.3Very high88.8Confident115 Ų115102.3 Ų102.360%0.60252%0.522SS*.Hα-helixtrans-64.3-40-179.7-156.375.4000111.5E222 Y223 Q228 E229 H230E222-L226 WeakPolarHBondContact O-CB 3.35Å; E222-L226 PolarHBondContact O-N 3.18Å; Y223-L226 PolarHBondContact O-N 2.91Å; L226-Q228 VanDerWaalsContact C-N 3.35Å; L226-Q228 PolarHBondContact O-N 2.89Å; L226-E229 PolarHBondContact O-N 3Å; L226-H230 WeakPolarHBondContact O-CB 3.44Å; L226-H230 PolarHBondContact O-N 3.19Å
227L89.1Confident87.8Confident87 Ų87103.3 Ų103.346%0.45553%0.526SS..Hα-helixtrans-59.2-43.7171.7-88.9162000112Y223 D224 R225 H230 S231Y223-L227 HydrophobicContact CD1-CD1 3.64Å; Y223-L227 HydrophobicContact CE1-CD1 3.31Å; Y223-L227 HydrophobicContact CE1-CG 4.22Å; Y223-L227 PolarHBondContact O-N 3.5Å; D224-L227 PolarHBondContact O-N 3.41Å; R225-L227 VanDerWaalsContact C-N 3.34Å; R225-L227 PolarHBondContact O-N 3.03Å; L227-H230 PolarHBondContact O-N 3Å; L227-S231 WeakPolarHBondContact O-CB 3.43Å; L227-S231 PolarHBondContact O-N 3.28Å; L227-S231 PolarHBondContact O-OG 3.01Å
228Q91.4Very high86.5Confident113 Ų113103.1 Ų103.153%0.52853%0.528SS..Hα-helixtrans-64.8-44.4176.3-72177.621.500112D224 R225 L226 S231 K232D224-Q228 WeakPolarHBondContact O-CG 3.33Å; D224-Q228 PolarHBondContact O-N 3.45Å; R225-Q228 WeakPolarHBondContact O-CB 3.39Å; R225-Q228 PolarHBondContact O-N 3.41Å; L226-Q228 VanDerWaalsContact C-N 3.35Å; L226-Q228 PolarHBondContact O-N 2.89Å; Q228-S231 PolarHBondContact O-N 3.5Å; Q228-S231 PolarHBondContact O-OG 3.14Å; Q228-K232 WeakPolarHBondContact O-CG 3.4Å; Q228-K232 PolarHBondContact O-N 3.27Å
229E91.2Very high85Confident81 Ų81106.1 Ų106.138%0.37954%0.536SS..Hα-helixtrans-62-43.8175.9-72.7-177.9-169.400111.3R225 L226 S231 K232 L233R225-E229 IonicContact CZ-OE1 3.66Å; R225-E229 IonicContact NE-OE1 3.03Å; R225-E229 PolarHBondContact NE-OE1 3.31Å; R225-E229 IonicContact NH2-OE1 3.41Å; R225-E229 PolarHBondContact NH2-OE1 3.06Å; R225-E229 PolarHBondContact O-N 3.04Å; L226-E229 PolarHBondContact O-N 3Å; E229-S231 PolarHBondContact O-N 3.07Å; E229-K232 PolarHBondContact O-N 2.93Å; E229-L233 WeakPolarHBondContact O-CG 3.5Å; E229-L233 PolarHBondContact O-N 2.72Å
230H87.8Confident83.3Confident120 Ų120109.1 Ų109.156%0.55654%0.544SS*.Hα-helixtrans-59.8-45.6174.8-172.1-82.4000111.9L226 L227 K232 L233 Q234L226-H230 WeakPolarHBondContact O-CB 3.44Å; L226-H230 PolarHBondContact O-N 3.19Å; L227-H230 PolarHBondContact O-N 3Å; H230-K232 VanDerWaalsContact C-N 3.34Å; H230-K232 PolarHBondContact O-N 2.9Å; H230-L233 PolarHBondContact O-N 3.31Å; H230-Q234 WeakPolarHBondContact O-CB 3.43Å; H230-Q234 PolarHBondContact O-N 3.3Å
231S86.8Confident81.5Confident65 Ų65107.4 Ų107.446%0.45554%0.544SS..Hα-helixtrans-62.1-39.5178.273.40000112.9L227 Q228 E229 A235L227-S231 WeakPolarHBondContact O-CB 3.43Å; L227-S231 PolarHBondContact O-N 3.28Å; L227-S231 PolarHBondContact O-OG 3.01Å; Q228-S231 PolarHBondContact O-N 3.5Å; Q228-S231 PolarHBondContact O-OG 3.14Å; E229-S231 PolarHBondContact O-N 3.07Å; S231-A235 WeakPolarHBondContact O-CB 3.41Å; S231-A235 PolarHBondContact O-N 3.03Å
232K87.7Confident79.1Confident136 Ų136112.8 Ų112.859%0.59157%0.57SS**Hα-helixtrans-67.4-43176.8-73171.5-176.4171.70111.5Q228 E229 H230 A235 S236Q228-K232 WeakPolarHBondContact O-CG 3.4Å; Q228-K232 PolarHBondContact O-N 3.27Å; E229-K232 PolarHBondContact O-N 2.93Å; H230-K232 VanDerWaalsContact C-N 3.34Å; H230-K232 PolarHBondContact O-N 2.9Å; K232-A235 PolarHBondContact O-N 3.45Å; K232-S236 WeakPolarHBondContact O-CB 3.48Å; K232-S236 PolarHBondContact O-N 3.46Å; K232-S236 PolarHBondContact O-OG 3.15Å
233L85Confident78.4Confident118 Ų118113.1 Ų113.162%0.61857%0.573SS**Hα-helixtrans-63.1-44.7177-73.9173.4000111.2E229 H230 S236 S237E229-L233 WeakPolarHBondContact O-CG 3.5Å; E229-L233 PolarHBondContact O-N 2.72Å; H230-L233 PolarHBondContact O-N 3.31Å; L233-S236 WeakPolarHBondContact CA-OG 3.48Å; L233-S236 PolarHBondContact O-N 2.94Å; L233-S236 VanDerWaalsContact O-N 3.15Å; L233-S236 PolarHBondContact O-OG 3.45Å; L233-S237 PolarHBondContact O-N 3.42Å
234Q78.4Confident77.7Confident111 Ų111111 Ų11152%0.51957%0.572SS.*Hα-helixtrans-60.5-47.6177.3-166.8169.84.600111.8H230 S236 S237 D238H230-Q234 WeakPolarHBondContact O-CB 3.43Å; H230-Q234 PolarHBondContact O-N 3.3Å; Q234-S236 VanDerWaalsContact C-N 3.26Å; Q234-S236 PolarHBondContact O-N 3.03Å; Q234-S237 WeakPolarHBondContact O-CB 3.36Å; Q234-S237 PolarHBondContact O-N 3.44Å; Q234-S237 VanDerWaalsContact O-N 3.14Å; Q234-D238 PolarHBondContact O-N 3.41Å
235A80.1Confident76.8Confident51 Ų51112.3 Ų112.342%0.42158%0.578SS.*Hα-helixtrans-63.8-28.4175.800000113.6S231 K232 K239S231-A235 WeakPolarHBondContact O-CB 3.41Å; S231-A235 PolarHBondContact O-N 3.03Å; K232-A235 PolarHBondContact O-N 3.45Å; A235-K239 WeakPolarHBondContact O-CG 3.37Å; A235-K239 PolarHBondContact O-N 2.97Å
236S74.6Confident75.9Confident62 Ų62111.1 Ų111.143%0.43458%0.582SS.*Hα-helixtrans-79.2-29175.375.20000113.2K232 L233 Q234K232-S236 WeakPolarHBondContact O-CB 3.48Å; K232-S236 PolarHBondContact O-N 3.46Å; K232-S236 PolarHBondContact O-OG 3.15Å; L233-S236 WeakPolarHBondContact CA-OG 3.48Å; L233-S236 PolarHBondContact O-N 2.94Å; L233-S236 VanDerWaalsContact O-N 3.15Å; L233-S236 PolarHBondContact O-OG 3.45Å; Q234-S236 VanDerWaalsContact C-N 3.26Å; Q234-S236 PolarHBondContact O-N 3.03Å
237S69.5Low74.9Confident73 Ų73110.8 Ų110.851%0.5158%0.581SS.*Hα-helixtrans-69.2-47.4172.8-177.40000110.5L233 Q234 K239 K240 S241L233-S237 PolarHBondContact O-N 3.42Å; Q234-S237 WeakPolarHBondContact O-CB 3.36Å; Q234-S237 PolarHBondContact O-N 3.44Å; Q234-S237 VanDerWaalsContact O-N 3.14Å; S237-K239 VanDerWaalsContact C-N 3.27Å; S237-K239 PolarHBondContact O-N 3.33Å; S237-K240 PolarHBondContact O-N 3.48Å; S237-S241 PolarHBondContact O-N 3.01Å; S237-S241 PolarHBondContact O-OG 3.01Å
238D64.4Low73.9Confident94 Ų94112.4 Ų112.450%0.50359%0.589SS.*Hα-helixtrans-62.8-34.2179.6-68.5-16.1000111.9Q234 K240 S241Q234-D238 PolarHBondContact O-N 3.41Å; D238-K240 VanDerWaalsContact C-N 3.26Å; D238-K240 PolarHBondContact O-N 3.35Å; D238-S241 PolarHBondContact O-N 3.38Å; D238-S241 PolarHBondContact O-OG 3.44Å
239K61.3Low72.7Confident174 Ų174112.4 Ų112.476%0.75759%0.594SS**THydrogen-bonded Turntrans-71.6-13174.1-79.2-178.8-179.6-1790115.1A235 S237A235-K239 WeakPolarHBondContact O-CG 3.37Å; A235-K239 PolarHBondContact O-N 2.97Å; S237-K239 VanDerWaalsContact C-N 3.27Å; S237-K239 PolarHBondContact O-N 3.33Å
240K56Low71.2Confident189 Ų189114.8 Ų114.882%0.82261%0.61SS**THydrogen-bonded Turntrans-98.3-10.5-179.7-123.6180-176.7179.60112.6S237 D238S237-K240 PolarHBondContact O-N 3.48Å; D238-K240 VanDerWaalsContact C-N 3.26Å; D238-K240 PolarHBondContact O-N 3.35Å
241S53Low69.9Low90 Ų90114.3 Ų114.363%0.62962%0.615SS**  trans-99.30.2179.147.40000114.7S237 D238S237-S241 PolarHBondContact O-N 3.01Å; S237-S241 PolarHBondContact O-OG 3.01Å; D238-S241 PolarHBondContact O-N 3.38Å; D238-S241 PolarHBondContact O-OG 3.44Å
242D41.5Very low68.3Low209 Ų209118.8 Ų118.8100%1.11863%0.629SS**  trans-105.90166.4-82.1-21.9000110.2

Retrieved 242 of 242 residues in 147.2 ms (Link to these results)