A0A2K6M798_RHIBE Loading...

Transmembrane protein 41A

AlphaFold DB , UniProt , Accession A0A2K6M798, Species RHIBE (Rhinopithecus bieti, Black snub-nosed monkey), Gene TMEM41A, Length 264 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
1M59Low76Confident209 Ų209100.9 Ų100.9100%1.0350%0.502SS*.  0-39.80-63.9-167.9123.900114.1L4 L5M1-L4 PolarHBondContact O-N 3.43Å; M1-L5 PolarHBondContact O-N 3.49Å
2R70.6Confident76.3Confident231 Ų23197.1 Ų97.187%0.87250%0.498SS*.Hα-helixtrans-50-44.2176.2-69.6178.1164.3174.2-5.5116.7L4 L5 G6R2-L4 PolarHBondContact O-N 3.16Å; R2-L5 PolarHBondContact O-N 3.22Å; R2-G6 PolarHBondContact O-N 3.22Å; R2-G6 VanDerWaalsContact O-N 3.16Å
3P70.4Confident76.5Confident30 Ų3092.7 Ų92.720%0.19549%0.492CS..Hα-helixtrans-70.2-31.7-18024.4-33.2000113.2G6 L7 F126P3-G6 PolarHBondContact O-N 2.86Å; P3-L7 PolarHBondContact O-N 3.45Å; P3-F126 HydrophobicContact CB-CB 4.42Å; P3-F126 HydrophobicContact CB-CD1 3.96Å; P3-F126 WeakPolarHBondContact O-CD1 3.38Å
4L74.7Confident76.6Confident92 Ų9289.7 Ų89.748%0.48248%0.481SS..Hα-helixtrans-68.7-39176.8-121.3120000111.6M1 R2 L7 L8 L130M1-L4 PolarHBondContact O-N 3.43Å; R2-L4 PolarHBondContact O-N 3.16Å; L4-L7 PolarHBondContact O-N 2.95Å; L4-L8 WeakPolarHBondContact O-CG 3.35Å; L4-L8 PolarHBondContact O-N 3.29Å; L4-L130 HydrophobicContact CD1-CD2 4.18Å
5L77.8Confident76.6Confident111 Ų11187.2 Ų87.258%0.58147%0.47SS*.Hα-helixtrans-64.9-41.2175.5-16477.8000111.5M1 R2 L8 L9M1-L5 PolarHBondContact O-N 3.49Å; R2-L5 PolarHBondContact O-N 3.22Å; L5-L8 PolarHBondContact O-N 3.48Å; L5-L9 WeakPolarHBondContact O-CG 3.36Å; L5-L9 PolarHBondContact O-N 3.06Å
6G77.9Confident76.7Confident19 Ų1989.8 Ų89.820%0.19648%0.476CS..Hα-helixtrans-61.6-43174.900000112.8R2 P3 L8 L9 V10R2-G6 PolarHBondContact O-N 3.22Å; R2-G6 VanDerWaalsContact O-N 3.16Å; P3-G6 PolarHBondContact O-N 2.86Å; G6-L8 PolarHBondContact O-N 3.03Å; G6-L9 PolarHBondContact O-N 3.42Å; G6-V10 WeakPolarHBondContact O-CG2 3.49Å; G6-V10 PolarHBondContact O-N 3.16Å
7L79.9Confident76.5Confident63 Ų6387.8 Ų87.833%0.3348%0.476SS..Hα-helixtrans-60.5-44.1174.4-178.866.7000111.9P3 L4 V10 F11 L122 F126P3-L7 PolarHBondContact O-N 3.45Å; L4-L7 PolarHBondContact O-N 2.95Å; L7-V10 PolarHBondContact O-N 3.31Å; L7-F11 WeakPolarHBondContact O-CB 3.41Å; L7-F11 PolarHBondContact O-N 3.44Å; L7-L122 HydrophobicContact CD1-CD1 4.46Å; L7-L122 HydrophobicContact CD1-CD2 3.4Å; L7-L122 VanDerWaalsContact CD1-CD2 3.4Å; L7-L122 HydrophobicContact CD1-CG 3.64Å; L7-F126 HydrophobicContact CB-CB 4.39Å; L7-F126 HydrophobicContact CB-CD2 4.17Å; L7-F126 HydrophobicContact CB-CG 4.12Å; L7-F126 HydrophobicContact CD1-CD2 4.04Å
8L79.2Confident76.4Confident103 Ų10384.8 Ų84.854%0.53946%0.459SS..Hα-helixtrans-64.3-38177.6-74.3170.2000112.4L4 L5 G6 F11 A12L4-L8 WeakPolarHBondContact O-CG 3.35Å; L4-L8 PolarHBondContact O-N 3.29Å; L5-L8 PolarHBondContact O-N 3.48Å; G6-L8 PolarHBondContact O-N 3.03Å; L8-F11 PolarHBondContact O-N 3.39Å; L8-A12 VanDerWaalsContact O-CB 3.29Å; L8-A12 WeakPolarHBondContact O-CB 3.43Å; L8-A12 PolarHBondContact O-N 2.99Å
9L82.1Confident76.2Confident118 Ų11888.1 Ų88.162%0.61847%0.465SS*.Hα-helixtrans-67-42.7175.6-73.5172000112.1L5 G6 F11 A12 G13L5-L9 WeakPolarHBondContact O-CG 3.36Å; L5-L9 PolarHBondContact O-N 3.06Å; G6-L9 PolarHBondContact O-N 3.42Å; L9-F11 VanDerWaalsContact C-N 3.35Å; L9-A12 PolarHBondContact O-N 3.46Å; L9-G13 PolarHBondContact O-N 3.14Å
10V80.8Confident76Confident56 Ų5686.6 Ų86.634%0.33946%0.457SS..Hα-helixtrans-63.9-43.6175.3174.40000110.4G6 L7 G13 C14 F83 L122 F126G6-V10 WeakPolarHBondContact O-CG2 3.49Å; G6-V10 PolarHBondContact O-N 3.16Å; L7-V10 PolarHBondContact O-N 3.31Å; V10-G13 PolarHBondContact O-N 2.84Å; V10-C14 WeakPolarHBondContact O-CB 2.98Å; V10-C14 PolarHBondContact O-N 3.41Å; V10-C14 PolarHBondContact O-SG 3.21Å; V10-F83 HydrophobicContact CG1-CZ 4.34Å; V10-L122 HydrophobicContact CG1-CD1 3.99Å; V10-F126 HydrophobicContact CG2-CE2 4.49Å; V10-F126 HydrophobicContact CG2-CZ 4.43Å
11F84.1Confident75.6Confident78 Ų7884.3 Ų84.334%0.34245%0.445SS..Hα-helixtrans-57.3-55.5174.3-176.2-96.7000111.2L7 L8 L9 G13 C14 T15 Y79 F83L7-F11 WeakPolarHBondContact O-CB 3.41Å; L7-F11 PolarHBondContact O-N 3.44Å; L8-F11 PolarHBondContact O-N 3.39Å; L9-F11 VanDerWaalsContact C-N 3.35Å; F11-G13 VanDerWaalsContact C-N 3.32Å; F11-G13 PolarHBondContact O-N 3.4Å; F11-C14 PolarHBondContact O-N 3.24Å; F11-C14 VanDerWaalsContact O-N 3.16Å; F11-T15 PolarHBondContact O-N 3.32Å; F11-T15 PolarHBondContact O-OG1 3.42Å; F11-Y79 AromaticContact CE2-CZ 3.88Å; F11-Y79 WeakPolarHBondContact CE2-OH 3.42Å; F11-Y79 WeakPolarHBondContact CZ-OH 3.42Å; F11-F83 HydrophobicContact CB-CE1 3.87Å; F11-F83 HydrophobicContact CB-CZ 4.12Å; F11-F83 AromaticContact CD2-CD1 3.57Å; F11-F83 HydrophobicContact CD2-CD1 3.57Å; F11-F83 HydrophobicContact CD2-CD2 4.03Å; F11-F83 AromaticContact CD2-CE1 3.61Å; F11-F83 HydrophobicContact CD2-CE1 3.61Å; F11-F83 HydrophobicContact CD2-CE2 4.11Å; F11-F83 AromaticContact CD2-CG 3.78Å; F11-F83 HydrophobicContact CD2-CG 3.78Å; F11-F83 AromaticContact CD2-CZ 3.91Å; F11-F83 HydrophobicContact CD2-CZ 3.91Å; F11-F83 HydrophobicContact CE2-CB 4.48Å; F11-F83 HydrophobicContact CE2-CD1 4.29Å; F11-F83 HydrophobicContact CE2-CD2 4.33Å; F11-F83 HydrophobicContact CE2-CG 4.11Å; F11-F83 HydrophobicContact CG-CE1 4.24Å; F11-F83 HydrophobicContact CG-CZ 4.45Å
12A78.6Confident75.9Confident55 Ų5575.7 Ų75.746%0.45541%0.405SS..Hα-helixtrans-58.5-41179.800000112.5L8 L9 T15 F16L8-A12 VanDerWaalsContact O-CB 3.29Å; L8-A12 WeakPolarHBondContact O-CB 3.43Å; L8-A12 PolarHBondContact O-N 2.99Å; L9-A12 PolarHBondContact O-N 3.46Å; A12-T15 PolarHBondContact O-N 2.95Å; A12-F16 VanDerWaalsContact O-CB 3.23Å; A12-F16 WeakPolarHBondContact O-CB 3.37Å; A12-F16 PolarHBondContact O-N 3.42Å
13G79.6Confident75.6Confident40 Ų4068.2 Ų68.241%0.41239%0.386SS..Hα-helixtrans-64.1-43.9176.200000112.6L9 V10 F11 F16 A17L9-G13 PolarHBondContact O-N 3.14Å; V10-G13 PolarHBondContact O-N 2.84Å; F11-G13 VanDerWaalsContact C-N 3.32Å; F11-G13 PolarHBondContact O-N 3.4Å; G13-F16 PolarHBondContact O-N 2.86Å; G13-A17 WeakPolarHBondContact O-CB 3.38Å; G13-A17 PolarHBondContact O-N 2.85Å
14C78.3Confident75.3Confident51 Ų5175.8 Ų75.835%0.34541%0.41SS..Hα-helixtrans-67.1-40.2175.1-69.70000112.2V10 F11 F16 A17 L18 Y79 F83V10-C14 WeakPolarHBondContact O-CB 2.98Å; V10-C14 PolarHBondContact O-N 3.41Å; V10-C14 PolarHBondContact O-SG 3.21Å; F11-C14 PolarHBondContact O-N 3.24Å; F11-C14 VanDerWaalsContact O-N 3.16Å; C14-F16 VanDerWaalsContact C-N 3.33Å; C14-A17 PolarHBondContact O-N 2.81Å; C14-L18 WeakPolarHBondContact O-CB 3.19Å; C14-L18 PolarHBondContact O-N 3.16Å; C14-Y79 HydrophobicContact CB-CD2 3.77Å; C14-Y79 HydrophobicContact CB-CE2 3.76Å; C14-F83 HydrophobicContact CB-CE2 3.74Å; C14-F83 HydrophobicContact CB-CZ 4Å
15T76.8Confident74.6Confident52 Ų5274.2 Ų74.232%0.31940%0.402SS..Hα-helixtrans-61.9-43.4174.2-47.40000110.5F11 A12 L18 Y19 Y79F11-T15 PolarHBondContact O-N 3.32Å; F11-T15 PolarHBondContact O-OG1 3.42Å; A12-T15 PolarHBondContact O-N 2.95Å; T15-L18 PolarHBondContact O-N 3.33Å; T15-Y19 VanDerWaalsContact O-CB 3.28Å; T15-Y19 WeakPolarHBondContact O-CB 3.36Å; T15-Y19 PolarHBondContact O-N 3.46Å; T15-Y79 PolarHBondContact OG1-OH 3.42Å
16F77.4Confident73.4Confident128 Ų12871.3 Ų71.356%0.56139%0.39SS*.Hα-helixtrans-66.5-41.6178.1-176-109.2000112.2A12 G13 C14 Y19 L20A12-F16 VanDerWaalsContact O-CB 3.23Å; A12-F16 WeakPolarHBondContact O-CB 3.37Å; A12-F16 PolarHBondContact O-N 3.42Å; G13-F16 PolarHBondContact O-N 2.86Å; C14-F16 VanDerWaalsContact C-N 3.33Å; F16-Y19 PolarHBondContact O-N 2.88Å; F16-L20 HydrophobicContact CD1-CD1 3.73Å; F16-L20 HydrophobicContact CD1-CG 4.35Å; F16-L20 HydrophobicContact CE1-CD1 3.31Å; F16-L20 HydrophobicContact CE1-CG 4.03Å; F16-L20 HydrophobicContact CE2-CG 4.4Å; F16-L20 HydrophobicContact CG-CD1 4.5Å; F16-L20 HydrophobicContact CZ-CD1 3.77Å; F16-L20 HydrophobicContact CZ-CD2 4.27Å; F16-L20 HydrophobicContact CZ-CG 4.05Å; F16-L20 WeakPolarHBondContact O-CB 3.3Å; F16-L20 WeakPolarHBondContact O-CG 3.23Å; F16-L20 PolarHBondContact O-N 3.18Å
17A73.6Confident71.9Confident57 Ų5782 Ų8247%0.47142%0.424SS..Hα-helixtrans-62.4-42.8173.700000111.6G13 C14 Y19 L20 L21G13-A17 WeakPolarHBondContact O-CB 3.38Å; G13-A17 PolarHBondContact O-N 2.85Å; C14-A17 PolarHBondContact O-N 2.81Å; A17-Y19 VanDerWaalsContact C-N 3.35Å; A17-L20 PolarHBondContact O-N 3.4Å; A17-L21 WeakPolarHBondContact O-CB 3.49Å; A17-L21 PolarHBondContact O-N 3.08Å
18L73.8Confident70.1Confident33 Ų3380.4 Ų80.417%0.17342%0.422CS..Hα-helixtrans-64.2-40.5175.1-160.496.9000111.5C14 T15 L21 S22 A76C14-L18 WeakPolarHBondContact O-CB 3.19Å; C14-L18 PolarHBondContact O-N 3.16Å; T15-L18 PolarHBondContact O-N 3.33Å; L18-L21 CarbonylContact O-C 3.42Å; L18-L21 PolarHBondContact O-N 3.42Å; L18-S22 WeakPolarHBondContact O-CB 3.29Å; L18-S22 PolarHBondContact O-N 3Å; L18-A76 HydrophobicContact CD1-CB 4.21Å
19Y72.8Confident68.5Low147 Ų14786.6 Ų86.658%0.57644%0.438SS*.Hα-helixtrans-65.2-43.4176.6178.4-100000111.9T15 F16 A17 L21 S22 T23T15-Y19 VanDerWaalsContact O-CB 3.28Å; T15-Y19 WeakPolarHBondContact O-CB 3.36Å; T15-Y19 PolarHBondContact O-N 3.46Å; F16-Y19 PolarHBondContact O-N 2.88Å; A17-Y19 VanDerWaalsContact C-N 3.35Å; Y19-L21 VanDerWaalsContact C-N 3.32Å; Y19-L21 PolarHBondContact O-N 3.38Å; Y19-S22 PolarHBondContact O-N 2.96Å; Y19-T23 HydrophobicContact CD1-CG2 4.32Å; Y19-T23 HydrophobicContact CD2-CG2 4.23Å; Y19-T23 HydrophobicContact CE1-CG2 3.91Å; Y19-T23 HydrophobicContact CE2-CG2 3.81Å; Y19-T23 HydrophobicContact CG-CG2 4.47Å; Y19-T23 WeakPolarHBondContact O-CB 3.41Å; Y19-T23 WeakPolarHBondContact O-CG2 3.22Å; Y19-T23 PolarHBondContact O-N 3.4Å; Y19-T23 PolarHBondContact O-OG1 2.87Å
20L72.3Confident66.5Low59 Ų5992 Ų9231%0.30945%0.451SS..Hα-helixtrans-62.1-41.1173.5-78173.8000111.7F16 A17 S22 T23 R24F16-L20 HydrophobicContact CD1-CD1 3.73Å; F16-L20 HydrophobicContact CD1-CG 4.35Å; F16-L20 HydrophobicContact CE1-CD1 3.31Å; F16-L20 HydrophobicContact CE1-CG 4.03Å; F16-L20 HydrophobicContact CE2-CG 4.4Å; F16-L20 HydrophobicContact CG-CD1 4.5Å; F16-L20 HydrophobicContact CZ-CD1 3.77Å; F16-L20 HydrophobicContact CZ-CD2 4.27Å; F16-L20 HydrophobicContact CZ-CG 4.05Å; F16-L20 WeakPolarHBondContact O-CB 3.3Å; F16-L20 WeakPolarHBondContact O-CG 3.23Å; F16-L20 PolarHBondContact O-N 3.18Å; A17-L20 PolarHBondContact O-N 3.4Å; L20-S22 VanDerWaalsContact C-N 3.31Å; L20-T23 WeakPolarHBondContact CA-OG1 3.47Å; L20-T23 PolarHBondContact O-N 3.46Å; L20-T23 PolarHBondContact O-OG1 3.41Å; L20-R24 VanDerWaalsContact O-CB 3.3Å; L20-R24 WeakPolarHBondContact O-CB 3.46Å; L20-R24 WeakPolarHBondContact O-CG 3.38Å; L20-R24 PolarHBondContact O-N 2.94Å
21L68.3Low64.7Low38 Ų3897.9 Ų97.920%0.19948%0.479CS..Hα-helixtrans-70.7-28176.4-162.872.6000112.3A17 L18 Y19 Y68 L71 L72A17-L21 WeakPolarHBondContact O-CB 3.49Å; A17-L21 PolarHBondContact O-N 3.08Å; L18-L21 CarbonylContact O-C 3.42Å; L18-L21 PolarHBondContact O-N 3.42Å; Y19-L21 VanDerWaalsContact C-N 3.32Å; Y19-L21 PolarHBondContact O-N 3.38Å; L21-Y68 HydrophobicContact CD1-CE2 4.45Å; L21-Y68 PolarHBondContact O-OH 3.25Å; L21-L71 HydrophobicContact CD1-CD2 4Å; L21-L71 HydrophobicContact CD2-CD2 3.59Å; L21-L71 HydrophobicContact CG-CD2 4.44Å; L21-L72 HydrophobicContact CB-CD1 4.47Å; L21-L72 HydrophobicContact CD2-CB 4.32Å; L21-L72 HydrophobicContact CD2-CD1 3.9Å; L21-L72 HydrophobicContact CG-CD1 4.05Å
22S65.9Low62.3Low28 Ų2897 Ų9720%0.19649%0.493CS..Hα-helixtrans-75.4-39.2173.2-1770000111.7L18 Y19 L20 L25L18-S22 WeakPolarHBondContact O-CB 3.29Å; L18-S22 PolarHBondContact O-N 3Å; Y19-S22 PolarHBondContact O-N 2.96Å; L20-S22 VanDerWaalsContact C-N 3.31Å; S22-L25 VanDerWaalsContact O-CD1 3.27Å; S22-L25 WeakPolarHBondContact O-CD1 3.38Å
23T64.4Low60.1Low75 Ų7599.9 Ų99.946%0.4651%0.509SS..Hα-helixtrans-84.2-21.8-175.351.50000114.3Y19 L20 L25Y19-T23 HydrophobicContact CD1-CG2 4.32Å; Y19-T23 HydrophobicContact CD2-CG2 4.23Å; Y19-T23 HydrophobicContact CE1-CG2 3.91Å; Y19-T23 HydrophobicContact CE2-CG2 3.81Å; Y19-T23 HydrophobicContact CG-CG2 4.47Å; Y19-T23 WeakPolarHBondContact O-CB 3.41Å; Y19-T23 WeakPolarHBondContact O-CG2 3.22Å; Y19-T23 PolarHBondContact O-N 3.4Å; Y19-T23 PolarHBondContact O-OG1 2.87Å; L20-T23 WeakPolarHBondContact CA-OG1 3.47Å; L20-T23 PolarHBondContact O-N 3.46Å; L20-T23 PolarHBondContact O-OG1 3.41Å; T23-L25 VanDerWaalsContact C-N 3.28Å; T23-L25 PolarHBondContact O-N 2.9Å
24R63.6Low57.9Low189 Ų189104.2 Ų104.271%0.71353%0.528SS*.THydrogen-bonded Turntrans-89.927.9175.4-67.2-160.2-176-166.63.9114.1L20 P26 Y68L20-R24 VanDerWaalsContact O-CB 3.3Å; L20-R24 WeakPolarHBondContact O-CB 3.46Å; L20-R24 WeakPolarHBondContact O-CG 3.38Å; L20-R24 PolarHBondContact O-N 2.94Å; R24-P26 WeakPolarHBondContact O-CD 3.32Å; R24-P26 VanDerWaalsContact O-N 3.15Å; R24-Y68 PolarHBondContact O-OH 2.88Å; R24-Y68 VanDerWaalsContact O-OH 3.13Å
25L59.2Low56Low59 Ų59110.9 Ų110.931%0.30955%0.554SS.*  trans-56120.6174-115.885.3000109.8S22 T23 R27 L42 Y61 Y68 L72S22-L25 VanDerWaalsContact O-CD1 3.27Å; S22-L25 WeakPolarHBondContact O-CD1 3.38Å; T23-L25 VanDerWaalsContact C-N 3.28Å; T23-L25 PolarHBondContact O-N 2.9Å; L25-R27 PolarHBondContact O-N 2.92Å; L25-R27 VanDerWaalsContact O-N 3.07Å; L25-L42 HydrophobicContact CD1-CD1 3.59Å; L25-Y61 HydrophobicContact CD2-CE1 4.15Å; L25-Y61 HydrophobicContact CD2-CE2 4.17Å; L25-Y61 HydrophobicContact CG-CE1 4.41Å; L25-Y68 HydrophobicContact CD1-CE1 3.58Å; L25-Y68 HydrophobicContact CG-CE1 3.83Å; L25-Y68 PolarHBondContact N-OH 3.45Å; L25-L72 HydrophobicContact CD1-CD2 4.4Å
26P52.7Low54.1Low49 Ų49117.6 Ų117.632%0.31858%0.582SS.*  trans-64.1112.8177.220-25.4000109.1R24 G28 Y61 Y68R24-P26 WeakPolarHBondContact O-CD 3.32Å; R24-P26 VanDerWaalsContact O-N 3.15Å; P26-G28 PolarHBondContact O-N 3.47Å; P26-Y61 WeakPolarHBondContact CD-OH 3.24Å; P26-Y61 PolarHBondContact O-OH 3.28Å; P26-Y68 HydrophobicContact CG-CD2 4.24Å; P26-Y68 HydrophobicContact CG-CE2 4.45Å; P26-Y68 HydrophobicContact CG-CG 4.43Å
27R46.6Very low52Low245 Ų245114.6 Ų114.693%0.92558%0.58SS**  trans-50.1104.2-176.5-73.5-179.1170.5130.6-3.4111.5L25L25-R27 PolarHBondContact O-N 2.92Å; L25-R27 VanDerWaalsContact O-N 3.07Å
28G43.3Very low50Low28 Ų28115.2 Ų115.229%0.28959%0.592SS.*  trans-68128.4172.200000109.3P26 R30P26-G28 PolarHBondContact O-N 3.47Å; G28-R30 VanDerWaalsContact C-N 3.31Å; G28-R30 PolarHBondContact O-N 2.83Å
29R43.5Very low48.1Very low233 Ų233117.5 Ų117.588%0.87962%0.624SS**SBendtrans-86.269.5-172.1-168.3177.3-175.7156.30.1110.1
30R41.2Very low46.7Very low233 Ų233120 Ų12088%0.87963%0.632SS**  trans17578.7153.9-100.3-178.9-143.8-152.86.4109.6G28 G32G28-R30 VanDerWaalsContact C-N 3.31Å; G28-R30 PolarHBondContact O-N 2.83Å; R30-G32 VanDerWaalsContact C-N 3.32Å
31L42Very low45.4Very low179 Ų179121.6 Ų121.694%0.93765%0.649SS**  trans-103.653.4149.3-15282.7000107.9
32G34Very low44.7Very low60 Ų60122.4 Ų122.462%0.61965%0.653SS**  trans-109.2112.2165.500000105.7R30R30-G32 VanDerWaalsContact C-N 3.32Å
33S33Very low44.2Very low114 Ų114128.9 Ų128.980%0.79767%0.673SS**SBend-167.189.758.4350000108.9
34T33.3Very low43.8Very low131 Ų131128.9 Ų128.980%0.80467%0.667SS**  trans-152.295.3147.7-360000105.3E36T34-E36 PolarHBondContact O-N 2.79Å
35E38Very low43.4Very low191 Ų191120.4 Ų120.489%0.89364%0.637SS**THydrogen-bonded Turntrans-52.1107.7162.7-64.2-178.8142.500106.6
36E37.6Very low43.3Very low194 Ų194121.7 Ų121.791%0.90765%0.65SS**THydrogen-bonded Turntrans164.8-6.3150.5-91.5-170.5-174.600116.3T34 G38T34-E36 PolarHBondContact O-N 2.79Å; E36-G38 PolarHBondContact O-N 3.47Å
37A33.2Very low43.7Very low64 Ų64123.7 Ų123.753%0.52966%0.658SS.*  trans-92.886.8-179.900000113.3G39A37-G39 PolarHBondContact O-N 2.89Å
38G30.7Very low44.3Very low70 Ų70116.5 Ų116.572%0.72264%0.638SS**  trans-54134.9166.900000112.9E36 R40E36-G38 PolarHBondContact O-N 3.47Å; G38-R40 PolarHBondContact O-N 3.37Å
39G34.8Very low44.9Very low82 Ų82117.8 Ų117.885%0.84565%0.646SS**  trans5346.4151.600000118.5A37 S41A37-G39 PolarHBondContact O-N 2.89Å; G39-S41 PolarHBondContact O-N 3.44Å
40R42.5Very low45.8Very low198 Ų198109 Ų10975%0.74761%0.614SS**  trans-76.392173.5-75.6-175.2174.5170.7-1111.7G38 E53G38-R40 PolarHBondContact O-N 3.37Å; R40-E53 IonicContact NH1-OE1 3.71Å
41S45.4Very low46.9Very low94 Ų9497.9 Ų97.966%0.65757%0.573SS**  trans-54.8139.2162.1-1800000109.9G39 W43G39-S41 PolarHBondContact O-N 3.44Å; S41-W43 PolarHBondContact O-N 3.47Å
42L53.8Low47.9Very low55 Ų5591.2 Ų91.229%0.28854%0.535SS..  trans-54.3111.5169.3-73.6161.9000108.7L25 L54 L72L25-L42 HydrophobicContact CD1-CD1 3.59Å; L42-L54 HydrophobicContact CD2-CD1 4.02Å; L42-L72 HydrophobicContact CD1-CD2 3.6Å
43W56Low49.4Very low164 Ų16493.3 Ų93.362%0.62153%0.529SS*.PPolyproline II helixtrans-98.1147.4-178.2-176.637.7000110.1S41 P45 E50S41-W43 PolarHBondContact O-N 3.47Å; W43-P45 WeakPolarHBondContact O-CD 3.37Å; W43-E50 HydrophobicContact CE3-CG 4.33Å; W43-E50 HydrophobicContact CH2-CG 4.37Å; W43-E50 WeakPolarHBondContact CH2-OE1 3.48Å; W43-E50 VanDerWaalsContact CH2-OE2 3.3Å; W43-E50 WeakPolarHBondContact CH2-OE2 3.39Å; W43-E50 HydrophobicContact CZ3-CG 3.75Å; W43-E50 WeakPolarHBondContact CZ3-OE1 3.39Å; W43-E50 VanDerWaalsContact CZ3-OE2 3.29Å; W43-E50 WeakPolarHBondContact CZ3-OE2 3.3Å
44F55.2Low51Low74 Ų7489.4 Ų89.433%0.32550%0.499SS..PPolyproline II helixtrans-80.8120.3173.9-104.4-70.4000108.7S46 A76 K80 L91F44-S46 PolarHBondContact O-N 3.44Å; F44-A76 HydrophobicContact CZ-CB 4.24Å; F44-K80 HydrophobicContact CD1-CD 4.45Å; F44-K80 VanDerWaalsContact CD1-CE 3.44Å; F44-K80 HydrophobicContact CE1-CD 3.67Å; F44-K80 HydrophobicContact CE1-CG 4.46Å; F44-K80 HydrophobicContact CZ-CD 3.93Å; F44-K80 HydrophobicContact CZ-CG 4.22Å; F44-L91 HydrophobicContact CE1-CD1 4.46Å; F44-L91 HydrophobicContact CE1-CD2 4.21Å
45P55.5Low52.5Low12 Ų1283.7 Ų83.78%0.07846%0.464CS..PPolyproline II helixtrans-66.3126.3-175.625.9-33.5000109.8W43 E50 L51 L54W43-P45 WeakPolarHBondContact O-CD 3.37Å; P45-E50 WeakPolarHBondContact CA-OE2 3.37Å; P45-E50 HydrophobicContact CB-CB 3.74Å; P45-L51 HydrophobicContact CB-CB 3.94Å; P45-L51 HydrophobicContact CB-CD1 4.41Å; P45-L51 HydrophobicContact CG-CB 4.19Å; P45-L51 HydrophobicContact CG-CD1 3.84Å; P45-L51 HydrophobicContact CG-CG 4.33Å; P45-L54 HydrophobicContact CG-CD2 4.04Å
46S56.6Low53.9Low86 Ų8679 Ų7960%0.60144%0.442SS*.SBendtrans-95.2-21.6174.3-56.60000111.3F44 E50F44-S46 PolarHBondContact O-N 3.44Å; S46-E50 PolarHBondContact N-OE2 2.71Å
47D61.2Low55.3Low90 Ų9073.8 Ų73.848%0.48142%0.423SS..SBendtrans-127.5161.3178.3-167.930.3000113.3A49 E50 L51D47-A49 PolarHBondContact O-N 2.97Å; D47-E50 PolarHBondContact O-N 2.98Å; D47-L51 PolarHBondContact O-N 3.15Å
48L58.9Low56.9Low95 Ų9571.7 Ų71.750%0.49740%0.403SS..Hα-helixtrans-61.8-33178.4-70.7171.6000112.3L51 R52L48-L51 PolarHBondContact O-N 2.78Å; L48-R52 PolarHBondContact O-N 2.84Å; L48-R52 VanDerWaalsContact O-N 3.09Å
49A57.5Low58.7Low55 Ų5574.5 Ų74.546%0.45539%0.392SS..Hα-helixtrans-65.4-46176.100000111.8D47 L51 R52 E53D47-A49 PolarHBondContact O-N 2.97Å; A49-L51 VanDerWaalsContact C-N 3.31Å; A49-L51 PolarHBondContact O-N 3.46Å; A49-R52 WeakPolarHBondContact O-CB 3.4Å; A49-R52 PolarHBondContact O-N 3.31Å; A49-E53 PolarHBondContact O-N 2.91Å
50E62Low60.2Low47 Ų4774.9 Ų74.922%0.2238%0.375CS..Hα-helixtrans-65.1-36.7176-68.2167.2-161.800111.8W43 P45 S46 D47 R52 E53 L54W43-E50 HydrophobicContact CE3-CG 4.33Å; W43-E50 HydrophobicContact CH2-CG 4.37Å; W43-E50 WeakPolarHBondContact CH2-OE1 3.48Å; W43-E50 VanDerWaalsContact CH2-OE2 3.3Å; W43-E50 WeakPolarHBondContact CH2-OE2 3.39Å; W43-E50 HydrophobicContact CZ3-CG 3.75Å; W43-E50 WeakPolarHBondContact CZ3-OE1 3.39Å; W43-E50 VanDerWaalsContact CZ3-OE2 3.29Å; W43-E50 WeakPolarHBondContact CZ3-OE2 3.3Å; P45-E50 WeakPolarHBondContact CA-OE2 3.37Å; P45-E50 HydrophobicContact CB-CB 3.74Å; S46-E50 PolarHBondContact N-OE2 2.71Å; D47-E50 PolarHBondContact O-N 2.98Å; E50-R52 VanDerWaalsContact C-N 3.26Å; E50-R52 PolarHBondContact O-N 3.17Å; E50-E53 PolarHBondContact O-N 2.81Å; E50-L54 VanDerWaalsContact O-CB 3.25Å; E50-L54 WeakPolarHBondContact O-CB 3.11Å; E50-L54 PolarHBondContact O-N 3.3Å
51L63.3Low61.1Low1 Ų167.4 Ų67.41%0.00535%0.347CS..Hα-helixtrans-62.7-37.6175.7-168.1120.9000111.2P45 D47 L48 A49 S55 F90 V93 L94 L207P45-L51 HydrophobicContact CB-CB 3.94Å; P45-L51 HydrophobicContact CB-CD1 4.41Å; P45-L51 HydrophobicContact CG-CB 4.19Å; P45-L51 HydrophobicContact CG-CD1 3.84Å; P45-L51 HydrophobicContact CG-CG 4.33Å; D47-L51 PolarHBondContact O-N 3.15Å; L48-L51 PolarHBondContact O-N 2.78Å; A49-L51 VanDerWaalsContact C-N 3.31Å; A49-L51 PolarHBondContact O-N 3.46Å; L51-S55 VanDerWaalsContact O-CB 3.27Å; L51-S55 WeakPolarHBondContact O-CB 3.36Å; L51-S55 PolarHBondContact O-N 3.36Å; L51-F90 HydrophobicContact CD1-CB 3.68Å; L51-F90 HydrophobicContact CD1-CD1 4.01Å; L51-F90 HydrophobicContact CD1-CG 4.3Å; L51-F90 WeakPolarHBondContact CD1-O 3.26Å; L51-V93 HydrophobicContact CD2-CB 4.31Å; L51-V93 HydrophobicContact CD2-CG1 3.77Å; L51-L94 HydrophobicContact CD1-CB 4.33Å; L51-L94 HydrophobicContact CG-CB 4.49Å; L51-L207 HydrophobicContact CD2-CD2 4.32Å
52R62.8Low62.1Low38 Ų3866.7 Ų66.714%0.14333%0.33CS..Hα-helixtrans-68.4-49.9175.4-177-177.3167.1169.1-1111.4L48 A49 E50 L54 S55 E56 L210 T211L48-R52 PolarHBondContact O-N 2.84Å; L48-R52 VanDerWaalsContact O-N 3.09Å; A49-R52 WeakPolarHBondContact O-CB 3.4Å; A49-R52 PolarHBondContact O-N 3.31Å; E50-R52 VanDerWaalsContact C-N 3.26Å; E50-R52 PolarHBondContact O-N 3.17Å; R52-L54 VanDerWaalsContact C-N 3.3Å; R52-L54 PolarHBondContact O-N 3.28Å; R52-S55 WeakPolarHBondContact CA-OG 3.42Å; R52-S55 CarbonylContact O-C 3.58Å; R52-S55 WeakPolarHBondContact O-CA 3.35Å; R52-S55 WeakPolarHBondContact O-CB 3.12Å; R52-S55 PolarHBondContact O-N 2.77Å; R52-S55 PolarHBondContact O-OG 3.28Å; R52-E56 IonicContact CZ-OE1 3.12Å; R52-E56 IonicContact NE-OE1 3.45Å; R52-E56 PolarHBondContact NE-OE1 2.94Å; R52-E56 IonicContact NH2-OE1 2.82Å; R52-E56 PolarHBondContact NH2-OE1 2.93Å; R52-E56 VanDerWaalsContact NH2-OE1 3.12Å; R52-E56 PolarHBondContact O-N 2.77Å; R52-L210 PolarHBondContact NH1-O 3.21Å; R52-L210 VanDerWaalsContact NH1-O 3.13Å; R52-L210 PolarHBondContact NH2-O 3.48Å; R52-T211 PolarHBondContact NH2-O 3.31Å
53E65.4Low62.6Low105 Ų10571.7 Ų71.749%0.49135%0.349SS..Hα-helixtrans-57.4-45.5178-169.7-178175.900110.7R40 A49 E50 S55 E56 V57R40-E53 IonicContact NH1-OE1 3.71Å; A49-E53 PolarHBondContact O-N 2.91Å; E50-E53 PolarHBondContact O-N 2.81Å; E53-S55 VanDerWaalsContact C-N 3.32Å; E53-S55 PolarHBondContact O-N 3.08Å; E53-E56 PolarHBondContact O-N 2.86Å; E53-V57 VanDerWaalsContact O-CG2 3.3Å; E53-V57 WeakPolarHBondContact O-CG2 3.42Å; E53-V57 PolarHBondContact O-N 3.35Å
54L68.1Low63.1Low31 Ų3169.3 Ų69.316%0.16235%0.345CS..Hα-helixtrans-61.6-40.1174.3-178.162.6000111.9L42 P45 E50 R52 L58 L94L42-L54 HydrophobicContact CD2-CD1 4.02Å; P45-L54 HydrophobicContact CG-CD2 4.04Å; E50-L54 VanDerWaalsContact O-CB 3.25Å; E50-L54 WeakPolarHBondContact O-CB 3.11Å; E50-L54 PolarHBondContact O-N 3.3Å; R52-L54 VanDerWaalsContact C-N 3.3Å; R52-L54 PolarHBondContact O-N 3.28Å; L54-L58 HydrophobicContact CD1-CD1 3.92Å; L54-L58 HydrophobicContact CD1-CG 4.06Å; L54-L58 HydrophobicContact CD2-CD1 4.43Å; L54-L58 HydrophobicContact CG-CD1 3.79Å; L54-L58 HydrophobicContact CG-CG 4.33Å; L54-L58 VanDerWaalsContact O-CB 3.26Å; L54-L58 WeakPolarHBondContact O-CB 3.42Å; L54-L58 WeakPolarHBondContact O-CG 3.34Å; L54-L58 PolarHBondContact O-N 2.81Å; L54-L94 HydrophobicContact CD2-CD2 4.25Å
55S63.8Low64Low12 Ų1269.1 Ų69.18%0.08435%0.345CS..Hα-helixtrans-65.5-39.2177.579.70000112.6L51 R52 E53 R59 L94 L98L51-S55 VanDerWaalsContact O-CB 3.27Å; L51-S55 WeakPolarHBondContact O-CB 3.36Å; L51-S55 PolarHBondContact O-N 3.36Å; R52-S55 WeakPolarHBondContact CA-OG 3.42Å; R52-S55 CarbonylContact O-C 3.58Å; R52-S55 WeakPolarHBondContact O-CA 3.35Å; R52-S55 WeakPolarHBondContact O-CB 3.12Å; R52-S55 PolarHBondContact O-N 2.77Å; R52-S55 PolarHBondContact O-OG 3.28Å; E53-S55 VanDerWaalsContact C-N 3.32Å; E53-S55 PolarHBondContact O-N 3.08Å; S55-R59 WeakPolarHBondContact O-CB 3.28Å; S55-R59 PolarHBondContact O-N 2.9Å; S55-L94 VanDerWaalsContact CB-CD1 3.5Å; S55-L98 WeakPolarHBondContact O-CD2 3.5Å
56E67.4Low64.8Low91 Ų9174.9 Ų74.943%0.42537%0.371SS..Hα-helixtrans-67.6-48.1178.2-73.3179.7-174.400110.3R52 E53 L58 R59 D60R52-E56 IonicContact CZ-OE1 3.12Å; R52-E56 IonicContact NE-OE1 3.45Å; R52-E56 PolarHBondContact NE-OE1 2.94Å; R52-E56 IonicContact NH2-OE1 2.82Å; R52-E56 PolarHBondContact NH2-OE1 2.93Å; R52-E56 VanDerWaalsContact NH2-OE1 3.12Å; R52-E56 PolarHBondContact O-N 2.77Å; E53-E56 PolarHBondContact O-N 2.86Å; E56-L58 PolarHBondContact O-N 2.82Å; E56-R59 PolarHBondContact O-N 3.48Å; E56-D60 PolarHBondContact O-N 3.48Å
57V67.3Low65.6Low85 Ų8574.7 Ų74.752%0.51537%0.374SS..Hα-helixtrans-58.2-48175.4172.30000111.4E53 R59 Y61E53-V57 VanDerWaalsContact O-CG2 3.3Å; E53-V57 WeakPolarHBondContact O-CG2 3.42Å; E53-V57 PolarHBondContact O-N 3.35Å; V57-R59 VanDerWaalsContact C-N 3.32Å; V57-R59 PolarHBondContact O-N 3.42Å; V57-Y61 VanDerWaalsContact O-CB 3.32Å; V57-Y61 WeakPolarHBondContact O-CB 3.14Å; V57-Y61 PolarHBondContact O-N 3.43Å
58L67.2Low66.2Low20 Ų2072.5 Ų72.511%0.10536%0.36CS..Hα-helixtrans-67-33178.6-74.1172000112.3L54 E56 R62 V69 L94 L98L54-L58 HydrophobicContact CD1-CD1 3.92Å; L54-L58 HydrophobicContact CD1-CG 4.06Å; L54-L58 HydrophobicContact CD2-CD1 4.43Å; L54-L58 HydrophobicContact CG-CD1 3.79Å; L54-L58 HydrophobicContact CG-CG 4.33Å; L54-L58 VanDerWaalsContact O-CB 3.26Å; L54-L58 WeakPolarHBondContact O-CB 3.42Å; L54-L58 WeakPolarHBondContact O-CG 3.34Å; L54-L58 PolarHBondContact O-N 2.81Å; E56-L58 PolarHBondContact O-N 2.82Å; L58-R62 VanDerWaalsContact O-CB 3.31Å; L58-R62 WeakPolarHBondContact O-CB 3.4Å; L58-R62 PolarHBondContact O-N 3.01Å; L58-V69 HydrophobicContact CB-CG1 4.35Å; L58-V69 HydrophobicContact CD2-CG1 4.12Å; L58-V69 HydrophobicContact CD2-CG2 4.45Å; L58-L94 HydrophobicContact CD1-CD2 4.23Å; L58-L98 HydrophobicContact CB-CD1 4.34Å; L58-L98 HydrophobicContact CB-CD2 3.93Å; L58-L98 HydrophobicContact CD1-CD1 4.11Å
59R67.8Low66.9Low129 Ų12968.2 Ų68.249%0.48734%0.337SS..Hα-helixtrans-71.4-38.6-179.8-167171.492.5135.61.9112.1S55 E56 V57 R62 L98S55-R59 WeakPolarHBondContact O-CB 3.28Å; S55-R59 PolarHBondContact O-N 2.9Å; E56-R59 PolarHBondContact O-N 3.48Å; V57-R59 VanDerWaalsContact C-N 3.32Å; V57-R59 PolarHBondContact O-N 3.42Å; R59-R62 WeakPolarHBondContact O-CB 3.33Å; R59-L98 HydrophobicContact CB-CD2 4.15Å
60D66.8Low67.9Low90 Ų9069.7 Ų69.748%0.48133%0.334SS..Hα-helixtrans-71.4-40.2173.7-78.7-27000111.6E56 R62 K63E56-D60 PolarHBondContact O-N 3.48Å; D60-R62 VanDerWaalsContact C-N 3.26Å; D60-R62 PolarHBondContact O-N 3.01Å; D60-K63 WeakPolarHBondContact O-CB 3.3Å; D60-K63 PolarHBondContact O-N 2.99Å; D60-K63 VanDerWaalsContact O-N 3.12Å; D60-K63 IonicContact OD1-NZ 2.68Å; D60-K63 PolarHBondContact OD1-NZ 3.37Å
61Y61.3Low68.8Low42 Ų4271.8 Ų71.817%0.16535%0.346CS..Hα-helixtrans-65.9-28.9174.9-157.9-95.2000113.1L25 P26 V57 K63 E64 H65 V69L25-Y61 HydrophobicContact CD2-CE1 4.15Å; L25-Y61 HydrophobicContact CD2-CE2 4.17Å; L25-Y61 HydrophobicContact CG-CE1 4.41Å; P26-Y61 WeakPolarHBondContact CD-OH 3.24Å; P26-Y61 PolarHBondContact O-OH 3.28Å; V57-Y61 VanDerWaalsContact O-CB 3.32Å; V57-Y61 WeakPolarHBondContact O-CB 3.14Å; V57-Y61 PolarHBondContact O-N 3.43Å; Y61-K63 PolarHBondContact O-N 2.7Å; Y61-E64 PolarHBondContact O-N 2.85Å; Y61-H65 HydrophobicContact CD1-CB 4.36Å; Y61-H65 HydrophobicContact CE1-CB 4.08Å; Y61-H65 PolarHBondContact O-N 3.01Å; Y61-V69 HydrophobicContact CD1-CG2 3.68Å
62R65.3Low69.6Low78 Ų7872.6 Ų72.629%0.29435%0.35SS..Hα-helixtrans-60.6-29.4173.5-166.8-174.579.2-179.10.4112.5L58 R59 D60 E64 Q66 L98L58-R62 VanDerWaalsContact O-CB 3.31Å; L58-R62 WeakPolarHBondContact O-CB 3.4Å; L58-R62 PolarHBondContact O-N 3.01Å; R59-R62 WeakPolarHBondContact O-CB 3.33Å; D60-R62 VanDerWaalsContact C-N 3.26Å; D60-R62 PolarHBondContact O-N 3.01Å; R62-E64 PolarHBondContact O-N 3.5Å; R62-Q66 HydrophobicContact CG-CB 4.07Å; R62-Q66 HydrophobicContact CG-CG 3.98Å; R62-Q66 WeakPolarHBondContact O-CA 3.42Å; R62-Q66 PolarHBondContact O-N 2.87Å; R62-L98 PolarHBondContact NH1-O 3.46Å
63K66.2Low70.6Confident160 Ų16071.4 Ų71.470%0.69635%0.346SS*.Hα-helixtrans-64.4-30.3-179.9-67.4174.5-178.5151.80112.1D60 Y61D60-K63 WeakPolarHBondContact O-CB 3.3Å; D60-K63 PolarHBondContact O-N 2.99Å; D60-K63 VanDerWaalsContact O-N 3.12Å; D60-K63 IonicContact OD1-NZ 2.68Å; D60-K63 PolarHBondContact OD1-NZ 3.37Å; Y61-K63 PolarHBondContact O-N 2.7Å
64E66.3Low71.6Confident115 Ų11567.4 Ų67.454%0.53733%0.329SS..Hα-helixtrans-99.1-33.9178.2-69.4-175.4164.600112.8Y61 R62Y61-E64 PolarHBondContact O-N 2.85Å; R62-E64 PolarHBondContact O-N 3.5Å
65H72.4Confident72.3Confident70 Ų7067.9 Ų67.932%0.32434%0.336SS..Hα-helixtrans-138.460.3-173.4-65.4-52000113.9Y61 A67 Y68 V69Y61-H65 HydrophobicContact CD1-CB 4.36Å; Y61-H65 HydrophobicContact CE1-CB 4.08Å; Y61-H65 PolarHBondContact O-N 3.01Å; H65-A67 VanDerWaalsContact C-N 3.34Å; H65-A67 PolarHBondContact O-N 3.3Å; H65-Y68 PolarHBondContact O-N 3.33Å; H65-Y68 VanDerWaalsContact O-N 3.14Å; H65-V69 PolarHBondContact O-N 3.24Å
66Q73.4Confident73.3Confident132 Ų13268 Ų6862%0.61734%0.337SS*.Hα-helixtrans-53-44.2-178.2-176.9175.3-1600114.1R62 Y68 F70R62-Q66 HydrophobicContact CG-CB 4.07Å; R62-Q66 HydrophobicContact CG-CG 3.98Å; R62-Q66 WeakPolarHBondContact O-CA 3.42Å; R62-Q66 PolarHBondContact O-N 2.87Å; Q66-Y68 VanDerWaalsContact C-N 3.33Å; Q66-Y68 PolarHBondContact O-N 3.48Å; Q66-F70 WeakPolarHBondContact O-CB 3.36Å; Q66-F70 PolarHBondContact O-N 2.94Å; Q66-F70 VanDerWaalsContact O-N 3.11Å
67A74.2Confident74.1Confident82 Ų8263.7 Ų63.768%0.67832%0.317SS*.Hα-helixtrans-65.4-35.5-178.500000112.6H65 L71H65-A67 VanDerWaalsContact C-N 3.34Å; H65-A67 PolarHBondContact O-N 3.3Å; A67-L71 WeakPolarHBondContact O-CB 3.22Å; A67-L71 PolarHBondContact O-N 3.5Å
68Y73Confident75.1Confident45 Ų4562.3 Ų62.318%0.17631%0.306CS..Hα-helixtrans-70.9-47-178.9-166.5-86000111.8L21 R24 L25 P26 H65 Q66 F70 L71 L72L21-Y68 HydrophobicContact CD1-CE2 4.45Å; L21-Y68 PolarHBondContact O-OH 3.25Å; R24-Y68 PolarHBondContact O-OH 2.88Å; R24-Y68 VanDerWaalsContact O-OH 3.13Å; L25-Y68 HydrophobicContact CD1-CE1 3.58Å; L25-Y68 HydrophobicContact CG-CE1 3.83Å; L25-Y68 PolarHBondContact N-OH 3.45Å; P26-Y68 HydrophobicContact CG-CD2 4.24Å; P26-Y68 HydrophobicContact CG-CE2 4.45Å; P26-Y68 HydrophobicContact CG-CG 4.43Å; H65-Y68 PolarHBondContact O-N 3.33Å; H65-Y68 VanDerWaalsContact O-N 3.14Å; Q66-Y68 VanDerWaalsContact C-N 3.33Å; Q66-Y68 PolarHBondContact O-N 3.48Å; Y68-F70 VanDerWaalsContact C-N 3.29Å; Y68-F70 PolarHBondContact O-N 3.25Å; Y68-L71 PolarHBondContact O-N 3.05Å; Y68-L72 VanDerWaalsContact O-CB 3.31Å; Y68-L72 WeakPolarHBondContact O-CB 3.36Å; Y68-L72 PolarHBondContact O-N 3.31Å
69V73.4Confident76Confident4 Ų462.8 Ų62.82%0.02431%0.307CS..Hα-helixtrans-60.1-42.9176.7173.30000110.7L58 Y61 H65 F73L58-V69 HydrophobicContact CB-CG1 4.35Å; L58-V69 HydrophobicContact CD2-CG1 4.12Å; L58-V69 HydrophobicContact CD2-CG2 4.45Å; Y61-V69 HydrophobicContact CD1-CG2 3.68Å; H65-V69 PolarHBondContact O-N 3.24Å; V69-F73 VanDerWaalsContact O-CB 3.25Å; V69-F73 WeakPolarHBondContact O-CB 3.33Å; V69-F73 PolarHBondContact O-N 3.37Å
70F79.4Confident76.8Confident87 Ų8757.6 Ų57.638%0.38229%0.288SS..Hα-helixtrans-61.7-47.3176-177.4-96.2000112Q66 Y68 F73 C74 F99 L107Q66-F70 WeakPolarHBondContact O-CB 3.36Å; Q66-F70 PolarHBondContact O-N 2.94Å; Q66-F70 VanDerWaalsContact O-N 3.11Å; Y68-F70 VanDerWaalsContact C-N 3.29Å; Y68-F70 PolarHBondContact O-N 3.25Å; F70-F73 PolarHBondContact O-N 2.92Å; F70-C74 WeakPolarHBondContact O-CB 3.38Å; F70-C74 PolarHBondContact O-N 2.93Å; F70-C74 PolarHBondContact O-SG 2.86Å; F70-F99 AromaticContact CD2-CE1 3.92Å; F70-F99 HydrophobicContact CD2-CE1 3.92Å; F70-F99 AromaticContact CD2-CZ 3.89Å; F70-F99 HydrophobicContact CD2-CZ 3.89Å; F70-L107 HydrophobicContact CD2-CD2 4.3Å; F70-L107 HydrophobicContact CE2-CD1 3.43Å; F70-L107 VanDerWaalsContact CE2-CD1 3.43Å; F70-L107 HydrophobicContact CE2-CD2 3.73Å; F70-L107 HydrophobicContact CE2-CG 4.25Å; F70-L107 HydrophobicContact CZ-CD1 3.58Å
71L80.7Confident77.8Confident91 Ų9154.1 Ų54.148%0.47627%0.269SS..Hα-helixtrans-64-46.9-179.9-161.2161.7000111L21 A67 Y68 F73 C74 S75L21-L71 HydrophobicContact CD1-CD2 4Å; L21-L71 HydrophobicContact CD2-CD2 3.59Å; L21-L71 HydrophobicContact CG-CD2 4.44Å; A67-L71 WeakPolarHBondContact O-CB 3.22Å; A67-L71 PolarHBondContact O-N 3.5Å; Y68-L71 PolarHBondContact O-N 3.05Å; L71-F73 PolarHBondContact O-N 3.39Å; L71-C74 PolarHBondContact O-N 3.35Å; L71-S75 WeakPolarHBondContact O-CB 3.4Å; L71-S75 PolarHBondContact O-N 3.27Å; L71-S75 PolarHBondContact O-OG 2.65Å; L71-S75 VanDerWaalsContact O-OG 3.09Å
72L80Confident78.9Confident18 Ų1852.5 Ų52.59%0.09426%0.264CS..Hα-helixtrans-58.6-46.6176.6179.467000112L21 L25 L42 Y68 S75 A76L21-L72 HydrophobicContact CB-CD1 4.47Å; L21-L72 HydrophobicContact CD2-CB 4.32Å; L21-L72 HydrophobicContact CD2-CD1 3.9Å; L21-L72 HydrophobicContact CG-CD1 4.05Å; L25-L72 HydrophobicContact CD1-CD2 4.4Å; L42-L72 HydrophobicContact CD1-CD2 3.6Å; Y68-L72 VanDerWaalsContact O-CB 3.31Å; Y68-L72 WeakPolarHBondContact O-CB 3.36Å; Y68-L72 PolarHBondContact O-N 3.31Å; L72-S75 PolarHBondContact O-N 3.3Å; L72-A76 WeakPolarHBondContact O-CB 3.33Å; L72-A76 PolarHBondContact O-N 3.43Å
73F83.9Confident79.7Confident12 Ų1250.8 Ų50.85%0.05326%0.259CS..Hα-helixtrans-59.3-49176178.3-92.3000111.1V69 F70 L71 S75 A76 Y77 L91 L94 A95 F99 L107 L111V69-F73 VanDerWaalsContact O-CB 3.25Å; V69-F73 WeakPolarHBondContact O-CB 3.33Å; V69-F73 PolarHBondContact O-N 3.37Å; F70-F73 PolarHBondContact O-N 2.92Å; L71-F73 PolarHBondContact O-N 3.39Å; F73-S75 PolarHBondContact O-N 2.88Å; F73-A76 PolarHBondContact O-N 2.78Å; F73-Y77 HydrophobicContact CE1-CD2 4.1Å; F73-Y77 AromaticContact CZ-CD2 3.94Å; F73-Y77 HydrophobicContact CZ-CD2 3.94Å; F73-Y77 VanDerWaalsContact O-CB 3.31Å; F73-Y77 WeakPolarHBondContact O-CB 3.44Å; F73-Y77 PolarHBondContact O-N 2.91Å; F73-L91 HydrophobicContact CE2-CB 4.3Å; F73-L91 HydrophobicContact CE2-CD2 4.2Å; F73-L91 HydrophobicContact CZ-CB 4.37Å; F73-L91 WeakPolarHBondContact CZ-O 3.34Å; F73-L94 HydrophobicContact CD2-CD2 4.24Å; F73-L94 HydrophobicContact CE2-CB 4.33Å; F73-L94 HydrophobicContact CE2-CD2 4.14Å; F73-L94 HydrophobicContact CE2-CG 4.23Å; F73-A95 HydrophobicContact CE1-CB 4.13Å; F73-A95 HydrophobicContact CE2-CB 4.37Å; F73-A95 HydrophobicContact CZ-CB 3.61Å; F73-F99 HydrophobicContact CD1-CE2 4.19Å; F73-F99 HydrophobicContact CG-CE2 4.36Å; F73-L107 HydrophobicContact CD1-CD2 4.28Å; F73-L107 HydrophobicContact CE1-CD2 4.17Å; F73-L111 HydrophobicContact CE1-CD1 4.42Å
74C85.5Confident80.4Confident21 Ų2144.7 Ų44.714%0.14224%0.239CC..Hα-helixtrans-59.6-46.2178.5-73.70000112F70 L71 Y77 L78 L111F70-C74 WeakPolarHBondContact O-CB 3.38Å; F70-C74 PolarHBondContact O-N 2.93Å; F70-C74 PolarHBondContact O-SG 2.86Å; L71-C74 PolarHBondContact O-N 3.35Å; C74-Y77 PolarHBondContact O-N 2.91Å; C74-L78 WeakPolarHBondContact O-CB 3.36Å; C74-L78 VanDerWaalsContact O-CG 3.31Å; C74-L78 WeakPolarHBondContact O-CG 3.42Å; C74-L78 PolarHBondContact O-N 3.26Å; C74-L111 HydrophobicContact CB-CD2 3.93Å; C74-L111 WeakPolarHBondContact O-CD2 3.25Å
75S83.3Confident81.1Confident42 Ų4241.8 Ų41.829%0.29423%0.226SC..Hα-helixtrans-63.3-45.4178.2-62.80000112.2L71 L72 F73 Y77 L78 Y79L71-S75 WeakPolarHBondContact O-CB 3.4Å; L71-S75 PolarHBondContact O-N 3.27Å; L71-S75 PolarHBondContact O-OG 2.65Å; L71-S75 VanDerWaalsContact O-OG 3.09Å; L72-S75 PolarHBondContact O-N 3.3Å; F73-S75 PolarHBondContact O-N 2.88Å; S75-Y77 VanDerWaalsContact C-N 3.32Å; S75-Y77 PolarHBondContact O-N 3.36Å; S75-L78 PolarHBondContact O-N 3.13Å; S75-Y79 VanDerWaalsContact O-CB 3.26Å; S75-Y79 WeakPolarHBondContact O-CB 3.31Å; S75-Y79 PolarHBondContact O-N 3.19Å
76A83.8Confident81Confident13 Ų1344 Ų4411%0.10725%0.247CC..Hα-helixtrans-63-39.4177.900000112.3L18 F44 L72 F73 K80L18-A76 HydrophobicContact CD1-CB 4.21Å; F44-A76 HydrophobicContact CZ-CB 4.24Å; L72-A76 WeakPolarHBondContact O-CB 3.33Å; L72-A76 PolarHBondContact O-N 3.43Å; F73-A76 PolarHBondContact O-N 2.78Å; A76-K80 PolarHBondContact O-N 2.89Å
77Y85.9Confident80.8Confident1 Ų138.6 Ų38.60%0.00423%0.227CC..Hα-helixtrans-64.8-53175.7-166-64.3000111.7F73 C74 S75 Y79 K80 Q81 L91 N92 L111 T112F73-Y77 HydrophobicContact CE1-CD2 4.1Å; F73-Y77 AromaticContact CZ-CD2 3.94Å; F73-Y77 HydrophobicContact CZ-CD2 3.94Å; F73-Y77 VanDerWaalsContact O-CB 3.31Å; F73-Y77 WeakPolarHBondContact O-CB 3.44Å; F73-Y77 PolarHBondContact O-N 2.91Å; C74-Y77 PolarHBondContact O-N 2.91Å; S75-Y77 VanDerWaalsContact C-N 3.32Å; S75-Y77 PolarHBondContact O-N 3.36Å; Y77-Y79 PolarHBondContact O-N 3.4Å; Y77-K80 PolarHBondContact O-N 3.16Å; Y77-Q81 HydrophobicContact CD1-CB 4.1Å; Y77-Q81 HydrophobicContact CE1-CB 4.01Å; Y77-Q81 HydrophobicContact CE1-CG 4.22Å; Y77-Q81 VanDerWaalsContact O-CB 3.27Å; Y77-Q81 WeakPolarHBondContact O-CB 3.45Å; Y77-Q81 PolarHBondContact O-N 3.47Å; Y77-L91 HydrophobicContact CD2-CB 3.72Å; Y77-L91 HydrophobicContact CD2-CD1 4.11Å; Y77-L91 HydrophobicContact CE2-CB 4.03Å; Y77-L91 HydrophobicContact CG-CD1 4.29Å; Y77-N92 WeakPolarHBondContact CE2-OD1 3.27Å; Y77-N92 VanDerWaalsContact CZ-OD1 3.29Å; Y77-N92 PolarHBondContact OH-OD1 3.35Å; Y77-L111 HydrophobicContact CD1-CB 3.65Å; Y77-L111 HydrophobicContact CD1-CD2 4.01Å; Y77-L111 HydrophobicContact CD1-CG 4.46Å; Y77-L111 HydrophobicContact CD2-CB 4.47Å; Y77-L111 HydrophobicContact CE1-CB 3.81Å; Y77-L111 HydrophobicContact CG-CB 4.03Å; Y77-L111 HydrophobicContact CG-CD2 3.9Å; Y77-T112 PolarHBondContact OH-OG1 3.11Å
78L87.6Confident80.9Confident57 Ų5735.8 Ų35.830%0.29820%0.202SC..Hα-helixtrans-60.5-36.7179.7-70.6-179.6000111.5C74 S75 G82 L111 V114C74-L78 WeakPolarHBondContact O-CB 3.36Å; C74-L78 VanDerWaalsContact O-CG 3.31Å; C74-L78 WeakPolarHBondContact O-CG 3.42Å; C74-L78 PolarHBondContact O-N 3.26Å; S75-L78 PolarHBondContact O-N 3.13Å; L78-G82 WeakPolarHBondContact O-CA 3.32Å; L78-G82 PolarHBondContact O-N 3.35Å; L78-L111 HydrophobicContact CD2-CD2 4.06Å; L78-L111 HydrophobicContact CG-CD2 3.89Å; L78-V114 HydrophobicContact CD1-CG1 4.47Å; L78-V114 HydrophobicContact CD2-CB 4Å; L78-V114 HydrophobicContact CD2-CG1 3.76Å
79Y85.5Confident81.2Confident30 Ų3035.4 Ų35.412%0.11821%0.206CC..Hα-helixtrans-60.1-57.1173.8-177.8-93.2000111.4F11 C14 T15 S75 Y77 Q81 G82 F83 I85F11-Y79 AromaticContact CE2-CZ 3.88Å; F11-Y79 WeakPolarHBondContact CE2-OH 3.42Å; F11-Y79 WeakPolarHBondContact CZ-OH 3.42Å; C14-Y79 HydrophobicContact CB-CD2 3.77Å; C14-Y79 HydrophobicContact CB-CE2 3.76Å; T15-Y79 PolarHBondContact OG1-OH 3.42Å; S75-Y79 VanDerWaalsContact O-CB 3.26Å; S75-Y79 WeakPolarHBondContact O-CB 3.31Å; S75-Y79 PolarHBondContact O-N 3.19Å; Y77-Y79 PolarHBondContact O-N 3.4Å; Y79-Q81 VanDerWaalsContact C-N 3.35Å; Y79-Q81 PolarHBondContact O-N 2.96Å; Y79-G82 PolarHBondContact O-N 3.07Å; Y79-F83 HydrophobicContact CD1-CD2 4.39Å; Y79-F83 AromaticContact CD2-CD2 3.63Å; Y79-F83 HydrophobicContact CD2-CD2 3.63Å; Y79-F83 AromaticContact CD2-CE2 3.49Å; Y79-F83 HydrophobicContact CD2-CE2 3.49Å; Y79-F83 VanDerWaalsContact CD2-CE2 3.49Å; Y79-F83 HydrophobicContact CE1-CD2 4.38Å; Y79-F83 AromaticContact CE2-CD2 3.61Å; Y79-F83 HydrophobicContact CE2-CD2 3.61Å; Y79-F83 AromaticContact CE2-CE2 3.44Å; Y79-F83 HydrophobicContact CE2-CE2 3.44Å; Y79-F83 VanDerWaalsContact CE2-CE2 3.44Å; Y79-F83 HydrophobicContact CE2-CZ 4.49Å; Y79-F83 HydrophobicContact CG-CD2 4.03Å; Y79-F83 HydrophobicContact CG-CE2 4.31Å; Y79-F83 WeakPolarHBondContact O-CD2 3.45Å; Y79-F83 PolarHBondContact O-N 3.13Å; Y79-I85 HydrophobicContact CD1-CD1 4.1Å; Y79-I85 HydrophobicContact CE1-CD1 3.64Å
80K84.9Confident81.5Confident19 Ų1938.3 Ų38.38%0.08322%0.219CC..Hα-helixtrans-59.2-46.1179.7-85.5-168.7163.8178.90112.1F44 A76 Y77 A84 I85 G87 L91F44-K80 HydrophobicContact CD1-CD 4.45Å; F44-K80 VanDerWaalsContact CD1-CE 3.44Å; F44-K80 HydrophobicContact CE1-CD 3.67Å; F44-K80 HydrophobicContact CE1-CG 4.46Å; F44-K80 HydrophobicContact CZ-CD 3.93Å; F44-K80 HydrophobicContact CZ-CG 4.22Å; A76-K80 PolarHBondContact O-N 2.89Å; Y77-K80 PolarHBondContact O-N 3.16Å; K80-A84 PolarHBondContact O-N 3.16Å; K80-A84 VanDerWaalsContact O-N 3.16Å; K80-I85 HydrophobicContact CB-CB 4.5Å; K80-I85 HydrophobicContact CG-CB 4.33Å; K80-I85 PolarHBondContact O-N 2.92Å; K80-G87 PolarHBondContact NZ-O 3.33Å; K80-G87 VanDerWaalsContact NZ-O 3.16Å; K80-L91 HydrophobicContact CB-CD1 4.45Å; K80-L91 HydrophobicContact CD-CD1 3.85Å; K80-L91 HydrophobicContact CD-CG 4.49Å
81Q86.8Confident81.7Confident18 Ų1834.6 Ų34.68%0.08420%0.203CC..Hα-helixtrans-70.2-39.9-177-168.568.17.800112.1Y77 Y79 A84 S88Y77-Q81 HydrophobicContact CD1-CB 4.1Å; Y77-Q81 HydrophobicContact CE1-CB 4.01Å; Y77-Q81 HydrophobicContact CE1-CG 4.22Å; Y77-Q81 VanDerWaalsContact O-CB 3.27Å; Y77-Q81 WeakPolarHBondContact O-CB 3.45Å; Y77-Q81 PolarHBondContact O-N 3.47Å; Y79-Q81 VanDerWaalsContact C-N 3.35Å; Y79-Q81 PolarHBondContact O-N 2.96Å; Q81-A84 PolarHBondContact O-N 2.54Å; Q81-S88 PolarHBondContact OE1-OG 3.05Å
82G84.9Confident82Confident7 Ų730.3 Ų30.37%0.07218%0.18CC..Hα-helixtrans-67.6-40.7179.600000112.7L78 Y79 A84 G115 C119L78-G82 WeakPolarHBondContact O-CA 3.32Å; L78-G82 PolarHBondContact O-N 3.35Å; Y79-G82 PolarHBondContact O-N 3.07Å; G82-A84 VanDerWaalsContact C-N 3.28Å; G82-A84 PolarHBondContact O-N 2.82Å; G82-G115 WeakPolarHBondContact CA-O 3.4Å; G82-C119 WeakPolarHBondContact O-CA 3.36Å; G82-C119 VanDerWaalsContact O-CB 3.25Å; G82-C119 WeakPolarHBondContact O-CB 3.43Å; G82-C119 PolarHBondContact O-SG 3.31Å
83F83.3Confident82.3Confident42 Ų4230.2 Ų30.218%0.18418%0.18CC..THydrogen-bonded Turntrans-87.78.9176.4-67.7-67.2000113.8V10 F11 C14 Y79 I85 L122V10-F83 HydrophobicContact CG1-CZ 4.34Å; F11-F83 HydrophobicContact CB-CE1 3.87Å; F11-F83 HydrophobicContact CB-CZ 4.12Å; F11-F83 AromaticContact CD2-CD1 3.57Å; F11-F83 HydrophobicContact CD2-CD1 3.57Å; F11-F83 HydrophobicContact CD2-CD2 4.03Å; F11-F83 AromaticContact CD2-CE1 3.61Å; F11-F83 HydrophobicContact CD2-CE1 3.61Å; F11-F83 HydrophobicContact CD2-CE2 4.11Å; F11-F83 AromaticContact CD2-CG 3.78Å; F11-F83 HydrophobicContact CD2-CG 3.78Å; F11-F83 AromaticContact CD2-CZ 3.91Å; F11-F83 HydrophobicContact CD2-CZ 3.91Å; F11-F83 HydrophobicContact CE2-CB 4.48Å; F11-F83 HydrophobicContact CE2-CD1 4.29Å; F11-F83 HydrophobicContact CE2-CD2 4.33Å; F11-F83 HydrophobicContact CE2-CG 4.11Å; F11-F83 HydrophobicContact CG-CE1 4.24Å; F11-F83 HydrophobicContact CG-CZ 4.45Å; C14-F83 HydrophobicContact CB-CE2 3.74Å; C14-F83 HydrophobicContact CB-CZ 4Å; Y79-F83 HydrophobicContact CD1-CD2 4.39Å; Y79-F83 AromaticContact CD2-CD2 3.63Å; Y79-F83 HydrophobicContact CD2-CD2 3.63Å; Y79-F83 AromaticContact CD2-CE2 3.49Å; Y79-F83 HydrophobicContact CD2-CE2 3.49Å; Y79-F83 VanDerWaalsContact CD2-CE2 3.49Å; Y79-F83 HydrophobicContact CE1-CD2 4.38Å; Y79-F83 AromaticContact CE2-CD2 3.61Å; Y79-F83 HydrophobicContact CE2-CD2 3.61Å; Y79-F83 AromaticContact CE2-CE2 3.44Å; Y79-F83 HydrophobicContact CE2-CE2 3.44Å; Y79-F83 VanDerWaalsContact CE2-CE2 3.44Å; Y79-F83 HydrophobicContact CE2-CZ 4.49Å; Y79-F83 HydrophobicContact CG-CD2 4.03Å; Y79-F83 HydrophobicContact CG-CE2 4.31Å; Y79-F83 WeakPolarHBondContact O-CD2 3.45Å; Y79-F83 PolarHBondContact O-N 3.13Å; F83-I85 HydrophobicContact CB-CD1 3.93Å; F83-I85 HydrophobicContact CB-CG1 3.83Å; F83-I85 PolarHBondContact O-N 3.36Å; F83-I85 VanDerWaalsContact O-N 3.16Å; F83-L122 HydrophobicContact CD1-CD2 3.96Å; F83-L122 HydrophobicContact CE1-CD2 3.66Å
84A81Confident82.2Confident33 Ų3329.9 Ų29.927%0.27318%0.179SC..THydrogen-bonded Turntrans56.130.2178.500000113.9K80 Q81 G82 W169K80-A84 PolarHBondContact O-N 3.16Å; K80-A84 VanDerWaalsContact O-N 3.16Å; Q81-A84 PolarHBondContact O-N 2.54Å; G82-A84 VanDerWaalsContact C-N 3.28Å; G82-A84 PolarHBondContact O-N 2.82Å; A84-W169 HydrophobicContact CB-CB 3.56Å
85I79.4Confident82.2Confident53 Ų5328.9 Ų28.927%0.27217%0.172SC..  trans-75.5126.8-178.1-58.1173.6000108.8Y79 K80 F83Y79-I85 HydrophobicContact CD1-CD1 4.1Å; Y79-I85 HydrophobicContact CE1-CD1 3.64Å; K80-I85 HydrophobicContact CB-CB 4.5Å; K80-I85 HydrophobicContact CG-CB 4.33Å; K80-I85 PolarHBondContact O-N 2.92Å; F83-I85 HydrophobicContact CB-CD1 3.93Å; F83-I85 HydrophobicContact CB-CG1 3.83Å; F83-I85 PolarHBondContact O-N 3.36Å; F83-I85 VanDerWaalsContact O-N 3.16Å
86P70.8Confident82.3Confident118 Ų11826.9 Ų26.977%0.76616%0.158SC*.SBendtrans-61148.9177.124.9-32.8000111.5
87G70.4Confident82.2Confident18 Ų1826.6 Ų26.619%0.18616%0.156CC..  trans93.622.2-17800000114.9K80K80-G87 PolarHBondContact NZ-O 3.33Å; K80-G87 VanDerWaalsContact NZ-O 3.16Å
88S75.4Confident82Confident23 Ų2326.9 Ų26.916%0.16116%0.158CC..Hα-helixtrans-70.8-20.5163.455.80000112.6Q81 F90 L91 N92Q81-S88 PolarHBondContact OE1-OG 3.05Å; S88-F90 VanDerWaalsContact C-N 3.3Å; S88-F90 PolarHBondContact O-N 3.24Å; S88-L91 WeakPolarHBondContact O-CB 3.48Å; S88-L91 PolarHBondContact O-N 3.44Å; S88-N92 PolarHBondContact O-N 2.77Å
89S79.2Confident81.7Confident37 Ų3725.5 Ų25.526%0.25915%0.149SC..Hα-helixtrans-54.8-42.6171.854.70000112.8L91 N92 V93 Y196S89-L91 VanDerWaalsContact C-N 3.28Å; S89-L91 PolarHBondContact O-N 3.43Å; S89-N92 WeakPolarHBondContact O-CB 3.34Å; S89-N92 PolarHBondContact O-N 3.39Å; S89-N92 VanDerWaalsContact O-N 3.12Å; S89-V93 PolarHBondContact O-N 3.06Å; S89-V93 VanDerWaalsContact O-N 3.15Å; S89-Y196 WeakPolarHBondContact CB-OH 3.37Å
90F80.1Confident81.6Confident65 Ų6525 Ų2529%0.28515%0.153SC..Hα-helixtrans-61.5-37.1176.4-69.2-69.7000111.9L51 S88 N92 V93 L94L51-F90 HydrophobicContact CD1-CB 3.68Å; L51-F90 HydrophobicContact CD1-CD1 4.01Å; L51-F90 HydrophobicContact CD1-CG 4.3Å; L51-F90 WeakPolarHBondContact CD1-O 3.26Å; S88-F90 VanDerWaalsContact C-N 3.3Å; S88-F90 PolarHBondContact O-N 3.24Å; F90-N92 VanDerWaalsContact C-N 3.32Å; F90-N92 PolarHBondContact O-N 2.85Å; F90-V93 PolarHBondContact O-N 2.91Å; F90-L94 WeakPolarHBondContact O-CB 3.42Å; F90-L94 PolarHBondContact O-N 3.32Å
91L83.6Confident81.5Confident9 Ų925.8 Ų25.85%0.04716%0.16CC..Hα-helixtrans-68-32.7175.9-66.2179.9000112.3F44 F73 Y77 K80 S88 S89 L94 A95F44-L91 HydrophobicContact CE1-CD1 4.46Å; F44-L91 HydrophobicContact CE1-CD2 4.21Å; F73-L91 HydrophobicContact CE2-CB 4.3Å; F73-L91 HydrophobicContact CE2-CD2 4.2Å; F73-L91 HydrophobicContact CZ-CB 4.37Å; F73-L91 WeakPolarHBondContact CZ-O 3.34Å; Y77-L91 HydrophobicContact CD2-CB 3.72Å; Y77-L91 HydrophobicContact CD2-CD1 4.11Å; Y77-L91 HydrophobicContact CE2-CB 4.03Å; Y77-L91 HydrophobicContact CG-CD1 4.29Å; K80-L91 HydrophobicContact CB-CD1 4.45Å; K80-L91 HydrophobicContact CD-CD1 3.85Å; K80-L91 HydrophobicContact CD-CG 4.49Å; S88-L91 WeakPolarHBondContact O-CB 3.48Å; S88-L91 PolarHBondContact O-N 3.44Å; S89-L91 VanDerWaalsContact C-N 3.28Å; S89-L91 PolarHBondContact O-N 3.43Å; L91-L94 HydrophobicContact CD2-CD2 4.19Å; L91-L94 PolarHBondContact O-N 3.02Å; L91-A95 WeakPolarHBondContact O-CB 3.49Å; L91-A95 PolarHBondContact O-N 3.42Å
92N87.7Confident81.6Confident1 Ų134.1 Ų34.11%0.00519%0.191CC..Hα-helixtrans-63.8-42.1172.2-71-9.4000111.8Y77 S88 S89 F90 A95 G96 C108 Y196 N197 C200 V201Y77-N92 WeakPolarHBondContact CE2-OD1 3.27Å; Y77-N92 VanDerWaalsContact CZ-OD1 3.29Å; Y77-N92 PolarHBondContact OH-OD1 3.35Å; S88-N92 PolarHBondContact O-N 2.77Å; S89-N92 WeakPolarHBondContact O-CB 3.34Å; S89-N92 PolarHBondContact O-N 3.39Å; S89-N92 VanDerWaalsContact O-N 3.12Å; F90-N92 VanDerWaalsContact C-N 3.32Å; F90-N92 PolarHBondContact O-N 2.85Å; N92-A95 PolarHBondContact O-N 3.36Å; N92-G96 PolarHBondContact O-N 3.39Å; N92-C108 PolarHBondContact OD1-SG 3.36Å; N92-Y196 WeakPolarHBondContact ND2-CE1 3.49Å; N92-N197 PolarHBondContact ND2-OD1 2.97Å; N92-C200 HydrophobicContact CB-CB 3.47Å; N92-C200 VanDerWaalsContact CB-CB 3.47Å; N92-V201 VanDerWaalsContact O-CG2 3.31Å; N92-V201 WeakPolarHBondContact O-CG2 3.36Å
93V84.8Confident81.7Confident16 Ų1638.6 Ų38.610%0.09721%0.213CC..Hα-helixtrans-63.7-46.3174.8179.90000110.1L51 S89 F90 A95 G96 A97 C200 G204L51-V93 HydrophobicContact CD2-CB 4.31Å; L51-V93 HydrophobicContact CD2-CG1 3.77Å; S89-V93 PolarHBondContact O-N 3.06Å; S89-V93 VanDerWaalsContact O-N 3.15Å; F90-V93 PolarHBondContact O-N 2.91Å; V93-A95 VanDerWaalsContact C-N 3.31Å; V93-A95 PolarHBondContact O-N 3.09Å; V93-G96 PolarHBondContact O-N 3.47Å; V93-A97 PolarHBondContact O-N 2.84Å; V93-C200 WeakPolarHBondContact CA-O 3.36Å; V93-C200 HydrophobicContact CG2-CB 4.11Å; V93-G204 VanDerWaalsContact CG1-CA 3.44Å; V93-G204 VanDerWaalsContact O-CA 3.27Å; V93-G204 WeakPolarHBondContact O-CA 3.38Å
94L83.1Confident81.9Confident4 Ų436.6 Ų36.62%0.02120%0.204CC..Hα-helixtrans-60.2-39.6177.2-17761.6000112.2L51 L54 S55 L58 F73 F90 L91 G96 A97 L98L51-L94 HydrophobicContact CD1-CB 4.33Å; L51-L94 HydrophobicContact CG-CB 4.49Å; L54-L94 HydrophobicContact CD2-CD2 4.25Å; S55-L94 VanDerWaalsContact CB-CD1 3.5Å; L58-L94 HydrophobicContact CD1-CD2 4.23Å; F73-L94 HydrophobicContact CD2-CD2 4.24Å; F73-L94 HydrophobicContact CE2-CB 4.33Å; F73-L94 HydrophobicContact CE2-CD2 4.14Å; F73-L94 HydrophobicContact CE2-CG 4.23Å; F90-L94 WeakPolarHBondContact O-CB 3.42Å; F90-L94 PolarHBondContact O-N 3.32Å; L91-L94 HydrophobicContact CD2-CD2 4.19Å; L91-L94 PolarHBondContact O-N 3.02Å; L94-G96 VanDerWaalsContact C-N 3.29Å; L94-G96 PolarHBondContact O-N 3.39Å; L94-A97 PolarHBondContact O-N 3.46Å; L94-L98 HydrophobicContact CD1-CD1 3.93Å; L94-L98 HydrophobicContact CD1-CG 4.01Å; L94-L98 HydrophobicContact CD2-CD1 4.42Å; L94-L98 HydrophobicContact CG-CD1 3.81Å; L94-L98 HydrophobicContact CG-CG 4.28Å; L94-L98 WeakPolarHBondContact O-CB 3.34Å; L94-L98 WeakPolarHBondContact O-CG 3.42Å; L94-L98 PolarHBondContact O-N 2.69Å
95A85.4Confident82.3Confident0 Ų036.1 Ų36.10%020%0.197CC..Hα-helixtrans-59.4-40.2173.700000112.3F73 L91 N92 V93 L98 F99 C108F73-A95 HydrophobicContact CE1-CB 4.13Å; F73-A95 HydrophobicContact CE2-CB 4.37Å; F73-A95 HydrophobicContact CZ-CB 3.61Å; L91-A95 WeakPolarHBondContact O-CB 3.49Å; L91-A95 PolarHBondContact O-N 3.42Å; N92-A95 PolarHBondContact O-N 3.36Å; V93-A95 VanDerWaalsContact C-N 3.31Å; V93-A95 PolarHBondContact O-N 3.09Å; A95-L98 PolarHBondContact O-N 3.25Å; A95-F99 HydrophobicContact CB-CD2 4.4Å; A95-F99 WeakPolarHBondContact O-CB 3.26Å; A95-F99 WeakPolarHBondContact O-CD2 3.25Å; A95-F99 PolarHBondContact O-N 2.92Å; A95-C108 WeakPolarHBondContact CB-SG 3.37Å
96G84.9Confident82.9Confident0 Ų039.2 Ų39.20%021%0.213CC..Hα-helixtrans-66.2-39.7174.900000113.5N92 V93 L94 G100 V201N92-G96 PolarHBondContact O-N 3.39Å; V93-G96 PolarHBondContact O-N 3.47Å; L94-G96 VanDerWaalsContact C-N 3.29Å; L94-G96 PolarHBondContact O-N 3.39Å; G96-G100 VanDerWaalsContact O-CA 3.22Å; G96-G100 WeakPolarHBondContact O-CA 3.23Å; G96-G100 PolarHBondContact O-N 2.83Å; G96-V201 WeakPolarHBondContact CA-O 3.35Å
97A82.5Confident83.8Confident8 Ų834.6 Ų34.67%0.06618%0.182CC..Hα-helixtrans-67.2-36.9176.300000112.7V93 L94 G204V93-A97 PolarHBondContact O-N 2.84Å; L94-A97 PolarHBondContact O-N 3.46Å; A97-G204 WeakPolarHBondContact CA-O 3.49Å; A97-G204 WeakPolarHBondContact CB-O 3.42Å
98L80.2Confident84.8Confident7 Ų733.7 Ų33.74%0.03717%0.173CC..Hα-helixtrans-84-52.3-177.8-68.8176.4000112.5S55 L58 R59 R62 L94 A95S55-L98 WeakPolarHBondContact O-CD2 3.5Å; L58-L98 HydrophobicContact CB-CD1 4.34Å; L58-L98 HydrophobicContact CB-CD2 3.93Å; L58-L98 HydrophobicContact CD1-CD1 4.11Å; R59-L98 HydrophobicContact CB-CD2 4.15Å; R62-L98 PolarHBondContact NH1-O 3.46Å; L94-L98 HydrophobicContact CD1-CD1 3.93Å; L94-L98 HydrophobicContact CD1-CG 4.01Å; L94-L98 HydrophobicContact CD2-CD1 4.42Å; L94-L98 HydrophobicContact CG-CD1 3.81Å; L94-L98 HydrophobicContact CG-CG 4.28Å; L94-L98 WeakPolarHBondContact O-CB 3.34Å; L94-L98 WeakPolarHBondContact O-CG 3.42Å; L94-L98 PolarHBondContact O-N 2.69Å; A95-L98 PolarHBondContact O-N 3.25Å
99F81.8Confident85.6Confident28 Ų2833.2 Ų33.212%0.12317%0.169CC..Hα-helixtrans-101-6.1-169.3-57.4-76.1000113.4F70 F73 A95 L103 L107F70-F99 AromaticContact CD2-CE1 3.92Å; F70-F99 HydrophobicContact CD2-CE1 3.92Å; F70-F99 AromaticContact CD2-CZ 3.89Å; F70-F99 HydrophobicContact CD2-CZ 3.89Å; F73-F99 HydrophobicContact CD1-CE2 4.19Å; F73-F99 HydrophobicContact CG-CE2 4.36Å; A95-F99 HydrophobicContact CB-CD2 4.4Å; A95-F99 WeakPolarHBondContact O-CB 3.26Å; A95-F99 WeakPolarHBondContact O-CD2 3.25Å; A95-F99 PolarHBondContact O-N 2.92Å; F99-L103 HydrophobicContact CB-CB 4.3Å; F99-L103 HydrophobicContact CB-CD2 4.22Å; F99-L103 HydrophobicContact CB-CG 4.28Å; F99-L103 HydrophobicContact CD1-CD2 4.38Å; F99-L107 HydrophobicContact CD2-CD2 3.65Å; F99-L107 HydrophobicContact CE2-CD2 3.66Å; F99-L107 HydrophobicContact CG-CD2 4.15Å; F99-L107 HydrophobicContact CZ-CD2 4.16Å
100G83.3Confident86.3Confident19 Ų1935 Ų3520%0.19618%0.178CC..  trans81.7179.4-175.500000112.9G96 G104G96-G100 VanDerWaalsContact O-CA 3.22Å; G96-G100 WeakPolarHBondContact O-CA 3.23Å; G96-G100 PolarHBondContact O-N 2.83Å; G100-G104 VanDerWaalsContact O-CA 3.29Å; G100-G104 WeakPolarHBondContact O-CA 3.33Å; G100-G104 PolarHBondContact O-N 2.99Å
101P82.8Confident86.8Confident35 Ų3532.3 Ų32.323%0.22717%0.167CC..Hα-helixtrans-71.3-43.5-165.924.9-31.7000113.3L105 V201P101-L105 WeakPolarHBondContact O-CB 3.47Å; P101-L105 PolarHBondContact O-N 2.91Å; P101-L105 VanDerWaalsContact O-N 3.13Å; P101-V201 WeakPolarHBondContact O-CG1 3.22Å
102W88.4Confident87.2Confident193 Ų19332 Ų3273%0.73117%0.166SC*.Hα-helixtrans-80.5-48-175.6-60.3111.7000113L105 L106W102-L105 PolarHBondContact O-N 3.1Å; W102-L106 PolarHBondContact O-N 3.46Å
103L87.1Confident87.3Confident101 Ų10132 Ų3253%0.52917%0.165SC..Hα-helixtrans-70.3-38.7179.4-170.566.4000110.9F99 L105 L106 L107F99-L103 HydrophobicContact CB-CB 4.3Å; F99-L103 HydrophobicContact CB-CD2 4.22Å; F99-L103 HydrophobicContact CB-CG 4.28Å; F99-L103 HydrophobicContact CD1-CD2 4.38Å; L103-L105 VanDerWaalsContact C-N 3.34Å; L103-L106 PolarHBondContact O-N 3.4Å; L103-L107 WeakPolarHBondContact O-CB 3.46Å; L103-L107 PolarHBondContact O-N 3.25Å
104G87.2Confident87.7Confident0 Ų033.9 Ų33.90%018%0.177CC..Hα-helixtrans-61.2-40.6172.400000112.3G100 C108G100-G104 VanDerWaalsContact O-CA 3.29Å; G100-G104 WeakPolarHBondContact O-CA 3.33Å; G100-G104 PolarHBondContact O-N 2.99Å; G104-C108 VanDerWaalsContact O-CB 3.24Å; G104-C108 WeakPolarHBondContact O-CB 3.47Å; G104-C108 PolarHBondContact O-N 2.85Å; G104-C108 PolarHBondContact O-SG 2.81Å
105L90.3Very high88Confident24 Ų2433.7 Ų33.713%0.12618%0.176CC..Hα-helixtrans-63.2-52.5176.5174.665.8000111.4P101 W102 L103 L107 C108 C109 I194 N197 F198 V201P101-L105 WeakPolarHBondContact O-CB 3.47Å; P101-L105 PolarHBondContact O-N 2.91Å; P101-L105 VanDerWaalsContact O-N 3.13Å; W102-L105 PolarHBondContact O-N 3.1Å; L103-L105 VanDerWaalsContact C-N 3.34Å; L105-L107 VanDerWaalsContact C-N 3.27Å; L105-L107 PolarHBondContact O-N 3.27Å; L105-C108 PolarHBondContact O-N 2.9Å; L105-C109 WeakPolarHBondContact O-CB 3.48Å; L105-C109 PolarHBondContact O-N 3.29Å; L105-C109 PolarHBondContact O-SG 3.42Å; L105-I194 HydrophobicContact CD1-CG2 4.47Å; L105-N197 HydrophobicContact CD1-CB 3.94Å; L105-F198 HydrophobicContact CD1-CB 3.95Å; L105-F198 HydrophobicContact CD2-CD2 4.05Å; L105-V201 HydrophobicContact CB-CG1 4.43Å
106L92.6Very high88.3Confident117 Ų11733.7 Ų33.761%0.61318%0.176SC*.Hα-helixtrans-56.1-48179.5-172.987.1000110.3W102 L103 C109 V110W102-L106 PolarHBondContact O-N 3.46Å; L103-L106 PolarHBondContact O-N 3.4Å; L106-C109 PolarHBondContact O-N 3.42Å; L106-V110 WeakPolarHBondContact O-CG2 3.31Å; L106-V110 PolarHBondContact O-N 3.18Å; L106-V110 VanDerWaalsContact O-N 3.08Å
107L90.2Very high88.6Confident21 Ų2134.7 Ų34.711%0.1118%0.182CC..Hα-helixtrans-60.4-52.7179.7-172.362.7000110.7F70 F73 F99 L103 L105 C109 V110 L111F70-L107 HydrophobicContact CD2-CD2 4.3Å; F70-L107 HydrophobicContact CE2-CD1 3.43Å; F70-L107 VanDerWaalsContact CE2-CD1 3.43Å; F70-L107 HydrophobicContact CE2-CD2 3.73Å; F70-L107 HydrophobicContact CE2-CG 4.25Å; F70-L107 HydrophobicContact CZ-CD1 3.58Å; F73-L107 HydrophobicContact CD1-CD2 4.28Å; F73-L107 HydrophobicContact CE1-CD2 4.17Å; F99-L107 HydrophobicContact CD2-CD2 3.65Å; F99-L107 HydrophobicContact CE2-CD2 3.66Å; F99-L107 HydrophobicContact CG-CD2 4.15Å; F99-L107 HydrophobicContact CZ-CD2 4.16Å; L103-L107 WeakPolarHBondContact O-CB 3.46Å; L103-L107 PolarHBondContact O-N 3.25Å; L105-L107 VanDerWaalsContact C-N 3.27Å; L105-L107 PolarHBondContact O-N 3.27Å; L107-C109 PolarHBondContact O-N 3.09Å; L107-V110 PolarHBondContact O-N 3.15Å; L107-L111 HydrophobicContact CB-CD1 4.41Å; L107-L111 HydrophobicContact CD1-CD1 3.35Å; L107-L111 HydrophobicContact CD2-CD1 4.3Å; L107-L111 HydrophobicContact CG-CD1 3.36Å; L107-L111 WeakPolarHBondContact O-CB 3.48Å; L107-L111 VanDerWaalsContact O-CD1 3.23Å; L107-L111 WeakPolarHBondContact O-CD1 3.12Å; L107-L111 PolarHBondContact O-N 3.01Å
108C91.4Very high88.9Confident0 Ų037 Ų370%020%0.197CC..Hα-helixtrans-55.5-49.4176.7-75.10000111.7N92 A95 G104 L105 V110 L111 T112 N197 V201N92-C108 PolarHBondContact OD1-SG 3.36Å; A95-C108 WeakPolarHBondContact CB-SG 3.37Å; G104-C108 VanDerWaalsContact O-CB 3.24Å; G104-C108 WeakPolarHBondContact O-CB 3.47Å; G104-C108 PolarHBondContact O-N 2.85Å; G104-C108 PolarHBondContact O-SG 2.81Å; L105-C108 PolarHBondContact O-N 2.9Å; C108-V110 VanDerWaalsContact C-N 3.33Å; C108-V110 PolarHBondContact O-N 2.87Å; C108-L111 PolarHBondContact O-N 2.72Å; C108-T112 VanDerWaalsContact O-CB 3.3Å; C108-T112 WeakPolarHBondContact O-CB 3.26Å; C108-T112 PolarHBondContact O-N 3.18Å; C108-T112 PolarHBondContact O-OG1 2.98Å; C108-N197 HydrophobicContact CB-CB 4.29Å; C108-V201 HydrophobicContact CB-CG2 4.22Å
109C92.3Very high89.4Confident12 Ų1237 Ų378%0.08120%0.197CC..Hα-helixtrans-58.1-42.9179.9-71.50000112.8L105 L106 L107 S113 L190 N197L105-C109 WeakPolarHBondContact O-CB 3.48Å; L105-C109 PolarHBondContact O-N 3.29Å; L105-C109 PolarHBondContact O-SG 3.42Å; L106-C109 PolarHBondContact O-N 3.42Å; L107-C109 PolarHBondContact O-N 3.09Å; C109-S113 WeakPolarHBondContact O-CB 3.31Å; C109-S113 PolarHBondContact O-N 3.22Å; C109-S113 VanDerWaalsContact O-N 3.1Å; C109-S113 PolarHBondContact O-OG 3.5Å; C109-L190 HydrophobicContact CB-CD1 4.06Å; C109-N197 PolarHBondContact N-ND2 3.22Å
110V92.5Very high89.8Confident75 Ų7536.8 Ų36.846%0.45520%0.196SC..Hα-helixtrans-65.4-50.5176173.60000110.7L106 L107 C108 T112 S113 V114L106-V110 WeakPolarHBondContact O-CG2 3.31Å; L106-V110 PolarHBondContact O-N 3.18Å; L106-V110 VanDerWaalsContact O-N 3.08Å; L107-V110 PolarHBondContact O-N 3.15Å; C108-V110 VanDerWaalsContact C-N 3.33Å; C108-V110 PolarHBondContact O-N 2.87Å; V110-T112 PolarHBondContact O-N 3.05Å; V110-S113 PolarHBondContact O-N 3.23Å; V110-V114 HydrophobicContact CG1-CG2 4.28Å; V110-V114 WeakPolarHBondContact O-CB 3.38Å; V110-V114 VanDerWaalsContact O-CG2 3.31Å; V110-V114 WeakPolarHBondContact O-CG2 3.27Å; V110-V114 PolarHBondContact O-N 2.98Å
111L91.5Very high90.1Very high8 Ų839.7 Ų39.74%0.04221%0.207CC..Hα-helixtrans-64.2-39.6-179.2-87132.7000113.3F73 C74 Y77 L78 L107 C108 S113 G115F73-L111 HydrophobicContact CE1-CD1 4.42Å; C74-L111 HydrophobicContact CB-CD2 3.93Å; C74-L111 WeakPolarHBondContact O-CD2 3.25Å; Y77-L111 HydrophobicContact CD1-CB 3.65Å; Y77-L111 HydrophobicContact CD1-CD2 4.01Å; Y77-L111 HydrophobicContact CD1-CG 4.46Å; Y77-L111 HydrophobicContact CD2-CB 4.47Å; Y77-L111 HydrophobicContact CE1-CB 3.81Å; Y77-L111 HydrophobicContact CG-CB 4.03Å; Y77-L111 HydrophobicContact CG-CD2 3.9Å; L78-L111 HydrophobicContact CD2-CD2 4.06Å; L78-L111 HydrophobicContact CG-CD2 3.89Å; L107-L111 HydrophobicContact CB-CD1 4.41Å; L107-L111 HydrophobicContact CD1-CD1 3.35Å; L107-L111 HydrophobicContact CD2-CD1 4.3Å; L107-L111 HydrophobicContact CG-CD1 3.36Å; L107-L111 WeakPolarHBondContact O-CB 3.48Å; L107-L111 VanDerWaalsContact O-CD1 3.23Å; L107-L111 WeakPolarHBondContact O-CD1 3.12Å; L107-L111 PolarHBondContact O-N 3.01Å; C108-L111 PolarHBondContact O-N 2.72Å; L111-S113 VanDerWaalsContact C-N 3.33Å; L111-G115 PolarHBondContact O-N 3.24Å
112T90.8Very high90.4Very high3 Ų339.6 Ų39.62%0.01820%0.204CC..Hα-helixtrans-61.2-44.4173.6-51.60000110.3Y77 C108 V110 A116 V189 L193 N197Y77-T112 PolarHBondContact OH-OG1 3.11Å; C108-T112 VanDerWaalsContact O-CB 3.3Å; C108-T112 WeakPolarHBondContact O-CB 3.26Å; C108-T112 PolarHBondContact O-N 3.18Å; C108-T112 PolarHBondContact O-OG1 2.98Å; V110-T112 PolarHBondContact O-N 3.05Å; T112-A116 WeakPolarHBondContact O-CB 3.5Å; T112-A116 PolarHBondContact O-N 3.42Å; T112-V189 HydrophobicContact CG2-CG1 4.04Å; T112-L193 HydrophobicContact CG2-CD1 3.45Å; T112-L193 VanDerWaalsContact CG2-CD1 3.45Å; T112-N197 PolarHBondContact OG1-ND2 3.26Å; T112-N197 VanDerWaalsContact OG1-ND2 3.08Å
113S91.6Very high90.4Very high0 Ų030.6 Ų30.60%017%0.171CC..Hα-helixtrans-69-45.9-178.2-560000112.1C109 V110 L111 T117 L190C109-S113 WeakPolarHBondContact O-CB 3.31Å; C109-S113 PolarHBondContact O-N 3.22Å; C109-S113 VanDerWaalsContact O-N 3.1Å; C109-S113 PolarHBondContact O-OG 3.5Å; V110-S113 PolarHBondContact O-N 3.23Å; L111-S113 VanDerWaalsContact C-N 3.33Å; S113-T117 WeakPolarHBondContact O-CB 3.31Å; S113-T117 PolarHBondContact O-N 2.82Å; S113-T117 PolarHBondContact O-OG1 3.4Å; S113-L190 VanDerWaalsContact OG-CA 3.23Å; S113-L190 WeakPolarHBondContact OG-CA 3.5Å; S113-L190 WeakPolarHBondContact OG-CB 3.27Å; S113-L190 WeakPolarHBondContact OG-CD1 3.47Å; S113-L190 PolarHBondContact OG-N 2.97Å
114V92.4Very high90.4Very high57 Ų5727.9 Ų27.935%0.34516%0.16SC..Hα-helixtrans-63.9-48.4176175.10000110.3L78 V110 A116 T117 C118L78-V114 HydrophobicContact CD1-CG1 4.47Å; L78-V114 HydrophobicContact CD2-CB 4Å; L78-V114 HydrophobicContact CD2-CG1 3.76Å; V110-V114 HydrophobicContact CG1-CG2 4.28Å; V110-V114 WeakPolarHBondContact O-CB 3.38Å; V110-V114 VanDerWaalsContact O-CG2 3.31Å; V110-V114 WeakPolarHBondContact O-CG2 3.27Å; V110-V114 PolarHBondContact O-N 2.98Å; V114-A116 PolarHBondContact O-N 3.16Å; V114-T117 CarbonylContact O-C 3.3Å; V114-T117 WeakPolarHBondContact O-CA 3.31Å; V114-T117 WeakPolarHBondContact O-CB 3.37Å; V114-T117 PolarHBondContact O-N 3.22Å; V114-T117 VanDerWaalsContact O-N 3.1Å; V114-C118 PolarHBondContact O-N 3.4Å; V114-C118 PolarHBondContact O-SG 3.22Å; V114-C118 VanDerWaalsContact O-SG 3.33Å
115G89.9Confident90.3Very high0 Ų032.7 Ų32.70%019%0.185CC..Hα-helixtrans-63.1-41.3178.800000113.2G82 L111 T117 C118 C119G82-G115 WeakPolarHBondContact CA-O 3.4Å; L111-G115 PolarHBondContact O-N 3.24Å; G115-T117 VanDerWaalsContact C-N 3.26Å; G115-T117 PolarHBondContact O-N 2.51Å; G115-C118 WeakPolarHBondContact O-CB 3.27Å; G115-C118 PolarHBondContact O-N 2.92Å; G115-C119 PolarHBondContact O-N 2.86Å
116A90.3Very high90Very high0 Ų033.2 Ų33.20%019%0.186CC..Hα-helixtrans-62.6-36173.600000111.8T112 V114 C119 Y120 N172 F185 V189T112-A116 WeakPolarHBondContact O-CB 3.5Å; T112-A116 PolarHBondContact O-N 3.42Å; V114-A116 PolarHBondContact O-N 3.16Å; A116-C119 WeakPolarHBondContact O-CB 3.25Å; A116-C119 PolarHBondContact O-N 3.22Å; A116-Y120 WeakPolarHBondContact O-CB 3.23Å; A116-Y120 PolarHBondContact O-N 2.86Å; A116-N172 WeakPolarHBondContact CB-ND2 3.44Å; A116-F185 HydrophobicContact CB-CE1 4.08Å; A116-F185 HydrophobicContact CB-CZ 4.09Å; A116-F185 WeakPolarHBondContact O-CE1 3.33Å; A116-V189 HydrophobicContact CB-CB 4.45Å; A116-V189 HydrophobicContact CB-CG1 3.83Å; A116-V189 HydrophobicContact CB-CG2 3.85Å
117T91.3Very high89.5Confident20 Ų2028.3 Ų28.312%0.12316%0.164CC..Hα-helixtrans-69.3-40.1175.5-56.40000111.4S113 V114 G115 C119 Y120 L121 I182 F186S113-T117 WeakPolarHBondContact O-CB 3.31Å; S113-T117 PolarHBondContact O-N 2.82Å; S113-T117 PolarHBondContact O-OG1 3.4Å; V114-T117 CarbonylContact O-C 3.3Å; V114-T117 WeakPolarHBondContact O-CA 3.31Å; V114-T117 WeakPolarHBondContact O-CB 3.37Å; V114-T117 PolarHBondContact O-N 3.22Å; V114-T117 VanDerWaalsContact O-N 3.1Å; G115-T117 VanDerWaalsContact C-N 3.26Å; G115-T117 PolarHBondContact O-N 2.51Å; T117-C119 VanDerWaalsContact C-N 3.32Å; T117-C119 PolarHBondContact O-N 3.14Å; T117-Y120 WeakPolarHBondContact O-CB 3.34Å; T117-Y120 PolarHBondContact O-N 3.24Å; T117-L121 HydrophobicContact CG2-CD1 4.46Å; T117-L121 WeakPolarHBondContact O-CG 3.31Å; T117-L121 PolarHBondContact O-N 3.41Å; T117-I182 HydrophobicContact CG2-CD1 3.69Å; T117-I182 HydrophobicContact CG2-CG1 4Å; T117-F186 WeakPolarHBondContact OG1-CD2 3.4Å
118C89.8Confident89.1Confident57 Ų5730.3 Ų30.339%0.38517%0.172SC..Hα-helixtrans-58.4-45.4170.8-65.50000111.1V114 G115 Y120 L121 L122V114-C118 PolarHBondContact O-N 3.4Å; V114-C118 PolarHBondContact O-SG 3.22Å; V114-C118 VanDerWaalsContact O-SG 3.33Å; G115-C118 WeakPolarHBondContact O-CB 3.27Å; G115-C118 PolarHBondContact O-N 2.92Å; C118-Y120 PolarHBondContact O-N 2.97Å; C118-L121 PolarHBondContact O-N 3.11Å; C118-L122 WeakPolarHBondContact O-CB 3.3Å; C118-L122 PolarHBondContact O-N 3.42Å
119C89.9Confident88.6Confident6 Ų636.8 Ų36.84%0.04120%0.202CC..Hα-helixtrans-59.8-44.7175.4-171.60000111.9G82 G115 A116 T117 L121 L122 S123 N172G82-C119 WeakPolarHBondContact O-CA 3.36Å; G82-C119 VanDerWaalsContact O-CB 3.25Å; G82-C119 WeakPolarHBondContact O-CB 3.43Å; G82-C119 PolarHBondContact O-SG 3.31Å; G115-C119 PolarHBondContact O-N 2.86Å; A116-C119 WeakPolarHBondContact O-CB 3.25Å; A116-C119 PolarHBondContact O-N 3.22Å; T117-C119 VanDerWaalsContact C-N 3.32Å; T117-C119 PolarHBondContact O-N 3.14Å; C119-L121 PolarHBondContact O-N 3.26Å; C119-L122 PolarHBondContact O-N 3.25Å; C119-S123 WeakPolarHBondContact O-CB 3.35Å; C119-S123 PolarHBondContact O-N 2.73Å; C119-N172 HydrophobicContact CB-CB 4.18Å
120Y91.1Very high88Confident24 Ų2439.6 Ų39.69%0.09422%0.216CC..Hα-helixtrans-57.3-47.7174.2174.1-75.8000111.4A116 T117 C118 S123 S124 A175 P176 I180 I182 F185A116-Y120 WeakPolarHBondContact O-CB 3.23Å; A116-Y120 PolarHBondContact O-N 2.86Å; T117-Y120 WeakPolarHBondContact O-CB 3.34Å; T117-Y120 PolarHBondContact O-N 3.24Å; C118-Y120 PolarHBondContact O-N 2.97Å; Y120-S123 PolarHBondContact O-N 3.47Å; Y120-S124 WeakPolarHBondContact O-CB 3.25Å; Y120-S124 PolarHBondContact O-N 3.08Å; Y120-A175 HydrophobicContact CD2-CB 3.78Å; Y120-A175 HydrophobicContact CE2-CB 3.84Å; Y120-P176 HydrophobicContact CD1-CB 4.29Å; Y120-P176 HydrophobicContact CD2-CB 4.02Å; Y120-P176 VanDerWaalsContact CD2-CD 3.45Å; Y120-P176 HydrophobicContact CD2-CG 4.03Å; Y120-P176 HydrophobicContact CE1-CB 3.97Å; Y120-P176 HydrophobicContact CE2-CB 3.71Å; Y120-P176 HydrophobicContact CE2-CG 4.18Å; Y120-P176 HydrophobicContact CG-CB 4.27Å; Y120-P176 HydrophobicContact CG-CG 4.26Å; Y120-P176 WeakPolarHBondContact O-CG 3.21Å; Y120-I180 PolarHBondContact OH-O 3.18Å; Y120-I182 HydrophobicContact CD1-CD1 4.41Å; Y120-I182 HydrophobicContact CD1-CG1 4.45Å; Y120-I182 HydrophobicContact CE1-CB 4.35Å; Y120-I182 HydrophobicContact CE1-CD1 4.46Å; Y120-I182 HydrophobicContact CE1-CG1 4.41Å; Y120-F185 HydrophobicContact CD2-CD1 4.01Å; Y120-F185 HydrophobicContact CD2-CD2 4.17Å; Y120-F185 HydrophobicContact CD2-CE1 4.21Å; Y120-F185 HydrophobicContact CD2-CE2 4.33Å; Y120-F185 AromaticContact CD2-CG 3.99Å; Y120-F185 HydrophobicContact CD2-CG 3.99Å; Y120-F185 HydrophobicContact CD2-CZ 4.35Å; Y120-F185 HydrophobicContact CE2-CG 4.47Å; Y120-F185 HydrophobicContact CG-CD1 4.34Å; Y120-F185 HydrophobicContact CG-CE1 4.32Å
121L89.8Confident87.5Confident81 Ų8138.3 Ų38.342%0.42421%0.208SC..Hα-helixtrans-65.1-43.6-179.5-70173.8000111.3T117 C118 C119 S123 S124 I125 I182T117-L121 HydrophobicContact CG2-CD1 4.46Å; T117-L121 WeakPolarHBondContact O-CG 3.31Å; T117-L121 PolarHBondContact O-N 3.41Å; C118-L121 PolarHBondContact O-N 3.11Å; C119-L121 PolarHBondContact O-N 3.26Å; L121-S123 VanDerWaalsContact C-N 3.32Å; L121-S123 PolarHBondContact O-N 3.1Å; L121-S124 WeakPolarHBondContact O-CB 3.39Å; L121-S124 PolarHBondContact O-N 2.93Å; L121-S124 VanDerWaalsContact O-N 3.17Å; L121-I125 VanDerWaalsContact O-CG1 3.3Å; L121-I125 WeakPolarHBondContact O-CG1 3.35Å; L121-I125 PolarHBondContact O-N 2.92Å; L121-I182 HydrophobicContact CD2-CD1 4.06Å
122L87.7Confident87.1Confident33 Ų3340.7 Ų40.717%0.17322%0.223CC..Hα-helixtrans-61-43.5177.4-142.769.2000111.1L7 V10 F83 C118 C119 I125 F126L7-L122 HydrophobicContact CD1-CD1 4.46Å; L7-L122 HydrophobicContact CD1-CD2 3.4Å; L7-L122 VanDerWaalsContact CD1-CD2 3.4Å; L7-L122 HydrophobicContact CD1-CG 3.64Å; V10-L122 HydrophobicContact CG1-CD1 3.99Å; F83-L122 HydrophobicContact CD1-CD2 3.96Å; F83-L122 HydrophobicContact CE1-CD2 3.66Å; C118-L122 WeakPolarHBondContact O-CB 3.3Å; C118-L122 PolarHBondContact O-N 3.42Å; C119-L122 PolarHBondContact O-N 3.25Å; L122-I125 PolarHBondContact O-N 3.21Å; L122-F126 HydrophobicContact CD1-CD2 4.1Å; L122-F126 HydrophobicContact CD1-CE2 3.8Å; L122-F126 HydrophobicContact CG-CD2 3.99Å; L122-F126 HydrophobicContact CG-CE2 4.21Å; L122-F126 WeakPolarHBondContact O-CB 3.28Å; L122-F126 VanDerWaalsContact O-CD2 3.3Å; L122-F126 WeakPolarHBondContact O-CD2 3.36Å; L122-F126 PolarHBondContact O-N 3.33Å
123S88.4Confident86.6Confident4 Ų445 Ų453%0.02825%0.253CS..Iπ-helixtrans-66.6-37.5174.2-173.30000112.8C119 Y120 L121 I125 G127 K128 L173C119-S123 WeakPolarHBondContact O-CB 3.35Å; C119-S123 PolarHBondContact O-N 2.73Å; Y120-S123 PolarHBondContact O-N 3.47Å; L121-S123 VanDerWaalsContact C-N 3.32Å; L121-S123 PolarHBondContact O-N 3.1Å; S123-I125 VanDerWaalsContact C-N 3.35Å; S123-I125 PolarHBondContact O-N 3.2Å; S123-G127 CarbonylContact O-C 3.6Å; S123-G127 WeakPolarHBondContact O-CA 3.19Å; S123-G127 PolarHBondContact O-N 3.36Å; S123-K128 PolarHBondContact O-N 2.89Å; S123-L173 VanDerWaalsContact OG-CD1 3.24Å; S123-L173 WeakPolarHBondContact OG-CD1 3.38Å; S123-L173 PolarHBondContact OG-O 3.4Å
124S87.8Confident86.3Confident43 Ų4353 Ų5330%0.30129%0.285SS..Iπ-helixtrans-62.1-43.2176.8-168.90000111.9Y120 L121 K128Y120-S124 WeakPolarHBondContact O-CB 3.25Å; Y120-S124 PolarHBondContact O-N 3.08Å; L121-S124 WeakPolarHBondContact O-CB 3.39Å; L121-S124 PolarHBondContact O-N 2.93Å; L121-S124 VanDerWaalsContact O-N 3.17Å; S124-K128 WeakPolarHBondContact O-CB 3.49Å
125I85.4Confident86Confident101 Ų10155.9 Ų55.952%0.51829%0.293SS..Iπ-helixtrans-75.2-48.9-178-62.9164.7000111.1L121 L122 S123L121-I125 VanDerWaalsContact O-CG1 3.3Å; L121-I125 WeakPolarHBondContact O-CG1 3.35Å; L121-I125 PolarHBondContact O-N 2.92Å; L122-I125 PolarHBondContact O-N 3.21Å; S123-I125 VanDerWaalsContact C-N 3.35Å; S123-I125 PolarHBondContact O-N 3.2Å
126F84.3Confident85.7Confident35 Ų3559 Ų5915%0.15431%0.313CS..Iπ-helixtrans-104.7-37-169.7-56.5-66.2000113.6P3 L7 V10 L122P3-F126 HydrophobicContact CB-CB 4.42Å; P3-F126 HydrophobicContact CB-CD1 3.96Å; P3-F126 WeakPolarHBondContact O-CD1 3.38Å; L7-F126 HydrophobicContact CB-CB 4.39Å; L7-F126 HydrophobicContact CB-CD2 4.17Å; L7-F126 HydrophobicContact CB-CG 4.12Å; L7-F126 HydrophobicContact CD1-CD2 4.04Å; V10-F126 HydrophobicContact CG2-CE2 4.49Å; V10-F126 HydrophobicContact CG2-CZ 4.43Å; L122-F126 HydrophobicContact CD1-CD2 4.1Å; L122-F126 HydrophobicContact CD1-CE2 3.8Å; L122-F126 HydrophobicContact CG-CD2 3.99Å; L122-F126 HydrophobicContact CG-CE2 4.21Å; L122-F126 WeakPolarHBondContact O-CB 3.28Å; L122-F126 VanDerWaalsContact O-CD2 3.3Å; L122-F126 WeakPolarHBondContact O-CD2 3.36Å; L122-F126 PolarHBondContact O-N 3.33Å
127G80.7Confident85.4Confident15 Ų1565.5 Ų65.516%0.15535%0.348CS..Iπ-helixtrans-80.4-39.6-174.200000114S123 Q129 L130 V131S123-G127 CarbonylContact O-C 3.6Å; S123-G127 WeakPolarHBondContact O-CA 3.19Å; S123-G127 PolarHBondContact O-N 3.36Å; G127-Q129 PolarHBondContact O-N 2.88Å; G127-L130 PolarHBondContact O-N 2.89Å; G127-V131 WeakPolarHBondContact O-CG2 3.36Å; G127-V131 PolarHBondContact O-N 3.26Å
128K82.1Confident85Confident62 Ų6271.6 Ų71.627%0.2737%0.373SS..Hα-helixtrans-58.6-48.4-174.7-172.1177-173.9176.30112.7S123 S124 L130 V132 N179S123-K128 PolarHBondContact O-N 2.89Å; S124-K128 WeakPolarHBondContact O-CB 3.49Å; K128-L130 VanDerWaalsContact C-N 3.32Å; K128-L130 PolarHBondContact O-N 2.7Å; K128-V132 HydrophobicContact CG-CG2 4.41Å; K128-V132 WeakPolarHBondContact O-CB 3.46Å; K128-V132 WeakPolarHBondContact O-CG2 3.41Å; K128-V132 PolarHBondContact O-N 2.95Å; K128-V132 VanDerWaalsContact O-N 3.08Å; K128-N179 PolarHBondContact NZ-OD1 3.35Å
129Q80.7Confident84.8Confident137 Ų13769.4 Ų69.464%0.6436%0.357SS*.Hα-helixtrans-63.7-38.8-180-66.6-176.62.600112G127 S133G127-Q129 PolarHBondContact O-N 2.88Å; Q129-S133 WeakPolarHBondContact O-CB 3.23Å; Q129-S133 PolarHBondContact O-N 3.43Å
130L79.9Confident84.5Confident71 Ų7170.9 Ų70.937%0.37237%0.37SS..Hα-helixtrans-67.2-51.9179.6-170.370.9000110.8L4 G127 K128 V132 S133 Y134L4-L130 HydrophobicContact CD1-CD2 4.18Å; G127-L130 PolarHBondContact O-N 2.89Å; K128-L130 VanDerWaalsContact C-N 3.32Å; K128-L130 PolarHBondContact O-N 2.7Å; L130-V132 PolarHBondContact O-N 3.47Å; L130-S133 WeakPolarHBondContact O-CB 3.34Å; L130-S133 PolarHBondContact O-N 3.38Å; L130-S133 VanDerWaalsContact O-N 3.16Å; L130-Y134 HydrophobicContact CD1-CD2 4.1Å; L130-Y134 HydrophobicContact CD1-CE2 3.69Å; L130-Y134 HydrophobicContact CG-CD2 4.25Å; L130-Y134 HydrophobicContact CG-CE2 4.26Å; L130-Y134 WeakPolarHBondContact O-CD2 3.42Å; L130-Y134 PolarHBondContact O-N 2.9Å; L130-Y134 VanDerWaalsContact O-N 3.14Å
131V82.1Confident84.3Confident48 Ų4875 Ų7529%0.29139%0.393SS..Hα-helixtrans-68-38.4-174.4178.10000111.9G127 S133 Y134 F135 V139 I177G127-V131 WeakPolarHBondContact O-CG2 3.36Å; G127-V131 PolarHBondContact O-N 3.26Å; V131-S133 VanDerWaalsContact C-N 3.28Å; V131-S133 PolarHBondContact O-N 3.41Å; V131-Y134 PolarHBondContact O-N 3.26Å; V131-F135 PolarHBondContact O-N 2.98Å; V131-V139 HydrophobicContact CG1-CG2 3.89Å; V131-I177 HydrophobicContact CB-CD1 3.95Å; V131-I177 HydrophobicContact CB-CG2 4.4Å; V131-I177 HydrophobicContact CG1-CD1 4.09Å; V131-I177 HydrophobicContact CG1-CG2 4.12Å; V131-I177 HydrophobicContact CG2-CD1 3.79Å
132V82.1Confident84Confident57 Ų5775.5 Ų75.535%0.34540%0.396SS..Hα-helixtrans-63.4-35.6174.7172.60000111.3K128 L130 P136 V139K128-V132 HydrophobicContact CG-CG2 4.41Å; K128-V132 WeakPolarHBondContact O-CB 3.46Å; K128-V132 WeakPolarHBondContact O-CG2 3.41Å; K128-V132 PolarHBondContact O-N 2.95Å; K128-V132 VanDerWaalsContact O-N 3.08Å; L130-V132 PolarHBondContact O-N 3.47Å; V132-P136 WeakPolarHBondContact O-CA 3.41Å; V132-P136 WeakPolarHBondContact O-CB 3.39Å; V132-P136 WeakPolarHBondContact O-CD 3.34Å; V132-V139 HydrophobicContact CG2-CG1 4.07Å
133S81.9Confident84Confident95 Ų9576.3 Ų76.366%0.66440%0.399SS*.Hα-helixtrans-70.8-33.4177.8-173.50000113.3Q129 L130 V131Q129-S133 WeakPolarHBondContact O-CB 3.23Å; Q129-S133 PolarHBondContact O-N 3.43Å; L130-S133 WeakPolarHBondContact O-CB 3.34Å; L130-S133 PolarHBondContact O-N 3.38Å; L130-S133 VanDerWaalsContact O-N 3.16Å; V131-S133 VanDerWaalsContact C-N 3.28Å; V131-S133 PolarHBondContact O-N 3.41Å
134Y83.7Confident83.8Confident168 Ų16884.7 Ų84.766%0.65943%0.43SS*.Hα-helixtrans-86.5-33.5-179-85.3-95.8000113.1L130 V131L130-Y134 HydrophobicContact CD1-CD2 4.1Å; L130-Y134 HydrophobicContact CD1-CE2 3.69Å; L130-Y134 HydrophobicContact CG-CD2 4.25Å; L130-Y134 HydrophobicContact CG-CE2 4.26Å; L130-Y134 WeakPolarHBondContact O-CD2 3.42Å; L130-Y134 PolarHBondContact O-N 2.9Å; L130-Y134 VanDerWaalsContact O-N 3.14Å; V131-Y134 PolarHBondContact O-N 3.26Å
135F86.3Confident83.6Confident117 Ų11788.5 Ų88.551%0.51344%0.441SS..  trans-137.760.7-175-61.8-75.9000112.9V131 D137 V139V131-F135 PolarHBondContact O-N 2.98Å; F135-D137 PolarHBondContact O-N 2.94Å; F135-V139 WeakPolarHBondContact O-CB 3.4Å; F135-V139 VanDerWaalsContact O-CG2 3.22Å; F135-V139 WeakPolarHBondContact O-CG2 3.29Å; F135-V139 PolarHBondContact O-N 3.1Å
136P85.1Confident83.5Confident65 Ų6584.5 Ų84.542%0.42242%0.421SS..Hα-helixtrans-60.6-45.1-17423.7-33000112.6V132 V139 A140V132-P136 WeakPolarHBondContact O-CA 3.41Å; V132-P136 WeakPolarHBondContact O-CB 3.39Å; V132-P136 WeakPolarHBondContact O-CD 3.34Å; P136-V139 PolarHBondContact O-N 3.42Å; P136-A140 VanDerWaalsContact O-CB 3.32Å; P136-A140 WeakPolarHBondContact O-CB 3.5Å; P136-A140 PolarHBondContact O-N 3.49Å
137D83.3Confident83.5Confident136 Ų13687.8 Ų87.873%0.72744%0.437SS*.Hα-helixtrans-68.1-42.4-173.5-56.9-43.9000112.8F135 A140 L141F135-D137 PolarHBondContact O-N 2.94Å; D137-A140 PolarHBondContact O-N 3.36Å; D137-L141 WeakPolarHBondContact O-CB 3.14Å; D137-L141 PolarHBondContact O-N 2.84Å
138K82.8Confident83.6Confident149 Ų14993.8 Ų93.865%0.64846%0.461SS*.Hα-helixtrans-67.7-40.7178.3-66.5-171.3179.6-1750111.4L141 L142K138-L141 PolarHBondContact O-N 3.13Å; K138-L142 WeakPolarHBondContact O-CG 3.35Å; K138-L142 PolarHBondContact O-N 3.28Å; K138-L142 VanDerWaalsContact O-N 3.08Å
139V85.2Confident83.5Confident11 Ų1194.5 Ų94.57%0.06747%0.467CS..Hα-helixtrans-65.4-43.9177.1173.40000110.3V131 V132 F135 P136 L141 L142 Q143 I177V131-V139 HydrophobicContact CG1-CG2 3.89Å; V132-V139 HydrophobicContact CG2-CG1 4.07Å; F135-V139 WeakPolarHBondContact O-CB 3.4Å; F135-V139 VanDerWaalsContact O-CG2 3.22Å; F135-V139 WeakPolarHBondContact O-CG2 3.29Å; F135-V139 PolarHBondContact O-N 3.1Å; P136-V139 PolarHBondContact O-N 3.42Å; V139-L141 PolarHBondContact O-N 3.26Å; V139-L142 PolarHBondContact O-N 3.45Å; V139-Q143 HydrophobicContact CG1-CG 4.18Å; V139-Q143 WeakPolarHBondContact O-CB 3.07Å; V139-Q143 VanDerWaalsContact O-CG 3.26Å; V139-Q143 WeakPolarHBondContact O-CG 2.9Å; V139-Q143 PolarHBondContact O-N 3.04Å; V139-I177 HydrophobicContact CG1-CG2 3.82Å; V139-I177 HydrophobicContact CG2-CG2 4.14Å
140A84.1Confident83.4Confident37 Ų3791.4 Ų91.431%0.30645%0.45SS..Hα-helixtrans-62.6-41.3177.900000112.3P136 D137 Q143 R144P136-A140 VanDerWaalsContact O-CB 3.32Å; P136-A140 WeakPolarHBondContact O-CB 3.5Å; P136-A140 PolarHBondContact O-N 3.49Å; D137-A140 PolarHBondContact O-N 3.36Å; A140-Q143 PolarHBondContact O-N 2.95Å; A140-R144 WeakPolarHBondContact O-CG 3.3Å; A140-R144 PolarHBondContact O-N 3.42Å
141L87.5Confident83.3Confident111 Ų11195.8 Ų95.858%0.58147%0.474SS*.Hα-helixtrans-60.4-49.3175-169.2166.8000111.1D137 K138 V139 Q143 R144 K145D137-L141 WeakPolarHBondContact O-CB 3.14Å; D137-L141 PolarHBondContact O-N 2.84Å; K138-L141 PolarHBondContact O-N 3.13Å; V139-L141 PolarHBondContact O-N 3.26Å; L141-Q143 PolarHBondContact O-N 3.46Å; L141-R144 PolarHBondContact O-N 3.19Å; L141-K145 PolarHBondContact O-N 3.33Å
142L83.3Confident83.3Confident91 Ų9196 Ų9648%0.47648%0.477SS..Hα-helixtrans-65.6-39.2179.4-70.4172.9000112.3K138 V139 K145 V146 L178K138-L142 WeakPolarHBondContact O-CG 3.35Å; K138-L142 PolarHBondContact O-N 3.28Å; K138-L142 VanDerWaalsContact O-N 3.08Å; V139-L142 PolarHBondContact O-N 3.45Å; L142-K145 WeakPolarHBondContact O-CB 3.34Å; L142-K145 PolarHBondContact O-N 3.11Å; L142-V146 WeakPolarHBondContact O-CG2 3.36Å; L142-V146 PolarHBondContact O-N 3.08Å; L142-L178 HydrophobicContact CB-CD2 3.45Å; L142-L178 VanDerWaalsContact CB-CD2 3.45Å; L142-L178 HydrophobicContact CD1-CD2 4.25Å; L142-L178 HydrophobicContact CG-CD2 4.49Å
143Q87.3Confident83.5Confident50 Ų5093.5 Ų93.523%0.23446%0.462CS..Hα-helixtrans-60-44.2174.2-77.8174.8-8.700111.5V139 A140 L141 V146 E147 I177 L178 N179V139-Q143 HydrophobicContact CG1-CG 4.18Å; V139-Q143 WeakPolarHBondContact O-CB 3.07Å; V139-Q143 VanDerWaalsContact O-CG 3.26Å; V139-Q143 WeakPolarHBondContact O-CG 2.9Å; V139-Q143 PolarHBondContact O-N 3.04Å; A140-Q143 PolarHBondContact O-N 2.95Å; L141-Q143 PolarHBondContact O-N 3.46Å; Q143-V146 PolarHBondContact O-N 3.48Å; Q143-E147 WeakPolarHBondContact O-CB 3.37Å; Q143-E147 PolarHBondContact O-N 2.74Å; Q143-I177 PolarHBondContact NE2-O 3.45Å; Q143-L178 HydrophobicContact CG-CD2 4.48Å; Q143-N179 PolarHBondContact NE2-ND2 3.3Å; Q143-N179 VanDerWaalsContact NE2-ND2 3.15Å
144R85.4Confident83.6Confident180 Ų18091.3 Ų91.368%0.67944%0.44SS*.Hα-helixtrans-60.5-45.1174.6-74.4177.9-178.2172.41.5111.7A140 L141 V146 E147 E148A140-R144 WeakPolarHBondContact O-CG 3.3Å; A140-R144 PolarHBondContact O-N 3.42Å; L141-R144 PolarHBondContact O-N 3.19Å; R144-V146 VanDerWaalsContact C-N 3.29Å; R144-V146 PolarHBondContact O-N 3.28Å; R144-E147 PolarHBondContact O-N 2.66Å; R144-E147 VanDerWaalsContact O-N 3.13Å; R144-E148 WeakPolarHBondContact O-CG 3.15Å; R144-E148 PolarHBondContact O-N 3.01Å
145K82.3Confident83.7Confident123 Ų12390 Ų9054%0.53544%0.439SS..Hα-helixtrans-60.4-39.1177.8-155.192.9-177.8179.80112.5L141 L142 N149L141-K145 PolarHBondContact O-N 3.33Å; L142-K145 WeakPolarHBondContact O-CB 3.34Å; L142-K145 PolarHBondContact O-N 3.11Å; K145-N149 PolarHBondContact O-N 3.37Å; K145-N149 PolarHBondContact O-ND2 2.71Å
146V84.6Confident83.7Confident17 Ų1789.9 Ų89.910%0.10344%0.438CS..Hα-helixtrans-68.4-40.4175.9166.30000110.8L142 Q143 R144 N149 R150 L153 L178 I180L142-V146 WeakPolarHBondContact O-CG2 3.36Å; L142-V146 PolarHBondContact O-N 3.08Å; Q143-V146 PolarHBondContact O-N 3.48Å; R144-V146 VanDerWaalsContact C-N 3.29Å; R144-V146 PolarHBondContact O-N 3.28Å; V146-N149 CarbonylContact O-C 3.58Å; V146-N149 VanDerWaalsContact O-C 3.3Å; V146-N149 PolarHBondContact O-N 3.45Å; V146-R150 PolarHBondContact O-N 2.86Å; V146-L153 HydrophobicContact CG1-CD1 3.81Å; V146-L153 HydrophobicContact CG1-CD2 3.81Å; V146-L153 HydrophobicContact CG1-CG 4.44Å; V146-L153 HydrophobicContact CG2-CD1 4.31Å; V146-L178 HydrophobicContact CG2-CB 4.31Å; V146-L178 HydrophobicContact CG2-CD1 4.27Å; V146-I180 HydrophobicContact CG1-CG1 4.31Å
147E83.1Confident83.8Confident104 Ų10487 Ų8749%0.48642%0.419SS..Hα-helixtrans-65.9-44.8178-163.560.6-135.300111.7Q143 R144 N149 R150Q143-E147 WeakPolarHBondContact O-CB 3.37Å; Q143-E147 PolarHBondContact O-N 2.74Å; R144-E147 PolarHBondContact O-N 2.66Å; R144-E147 VanDerWaalsContact O-N 3.13Å; E147-N149 PolarHBondContact O-N 3.04Å; E147-R150 VanDerWaalsContact CD-NE 3.25Å; E147-R150 WeakPolarHBondContact O-CG 3.32Å; E147-R150 PolarHBondContact O-N 3.02Å; E147-R150 WeakPolarHBondContact OE1-CD 3.29Å; E147-R150 IonicContact OE1-CZ 3.9Å; E147-R150 IonicContact OE1-NE 2.91Å; E147-R150 PolarHBondContact OE1-NE 3.39Å; E147-R150 IonicContact OE2-CZ 3.26Å; E147-R150 VanDerWaalsContact OE2-CZ 3.26Å; E147-R150 IonicContact OE2-NE 2.91Å; E147-R150 PolarHBondContact OE2-NE 3.38Å; E147-R150 IonicContact OE2-NH2 2.78Å; E147-R150 PolarHBondContact OE2-NH2 3.06Å
148E82.7Confident83.9Confident140 Ų14081.9 Ų81.965%0.65439%0.392SS*.Hα-helixtrans-57.8-30.4173.9-72.9168.1-173.400112.6R144R144-E148 WeakPolarHBondContact O-CG 3.15Å; R144-E148 PolarHBondContact O-N 3.01Å
149N80.4Confident84Confident77 Ų7780 Ų8041%0.41238%0.384SS..THydrogen-bonded Turntrans-112.225.4-177.2-66.2-75.4000113.2K145 V146 E147 N151 S152 L153K145-N149 PolarHBondContact O-N 3.37Å; K145-N149 PolarHBondContact O-ND2 2.71Å; V146-N149 CarbonylContact O-C 3.58Å; V146-N149 VanDerWaalsContact O-C 3.3Å; V146-N149 PolarHBondContact O-N 3.45Å; E147-N149 PolarHBondContact O-N 3.04Å; N149-N151 PolarHBondContact O-N 3.45Å; N149-N151 VanDerWaalsContact O-N 3.11Å; N149-S152 PolarHBondContact O-N 3.46Å; N149-S152 PolarHBondContact O-OG 3.12Å; N149-L153 PolarHBondContact O-N 3.21Å
150R78.3Confident83.9Confident72 Ų7280.8 Ų80.827%0.27239%0.387SS..THydrogen-bonded Turntrans-51.8-38.6-178.2-88.8-125.9-175.7-118.8-13.1113.8V146 E147 S152 L153 N179V146-R150 PolarHBondContact O-N 2.86Å; E147-R150 VanDerWaalsContact CD-NE 3.25Å; E147-R150 WeakPolarHBondContact O-CG 3.32Å; E147-R150 PolarHBondContact O-N 3.02Å; E147-R150 WeakPolarHBondContact OE1-CD 3.29Å; E147-R150 IonicContact OE1-CZ 3.9Å; E147-R150 IonicContact OE1-NE 2.91Å; E147-R150 PolarHBondContact OE1-NE 3.39Å; E147-R150 IonicContact OE2-CZ 3.26Å; E147-R150 VanDerWaalsContact OE2-CZ 3.26Å; E147-R150 IonicContact OE2-NE 2.91Å; E147-R150 PolarHBondContact OE2-NE 3.38Å; E147-R150 IonicContact OE2-NH2 2.78Å; E147-R150 PolarHBondContact OE2-NH2 3.06Å; R150-S152 VanDerWaalsContact C-N 3.32Å; R150-S152 PolarHBondContact O-N 2.86Å; R150-L153 WeakPolarHBondContact O-CB 3.48Å; R150-L153 PolarHBondContact O-N 3.25Å; R150-N179 PolarHBondContact NH2-O 3.41Å
151N78.5Confident84Confident164 Ų16479.6 Ų79.688%0.87738%0.375SS*.THydrogen-bonded Turntrans-68.6-30.2-177-65.9-21.9000112.8N149N149-N151 PolarHBondContact O-N 3.45Å; N149-N151 VanDerWaalsContact O-N 3.11Å
152S81.8Confident83.5Confident52 Ų5277.7 Ų77.736%0.36437%0.365SS..THydrogen-bonded Turntrans-102.1-2.1179.556.50000113.2N149 R150 F154 F155 F156N149-S152 PolarHBondContact O-N 3.46Å; N149-S152 PolarHBondContact O-OG 3.12Å; R150-S152 VanDerWaalsContact C-N 3.32Å; R150-S152 PolarHBondContact O-N 2.86Å; S152-F154 VanDerWaalsContact C-N 3.32Å; S152-F154 PolarHBondContact O-N 3.48Å; S152-F155 PolarHBondContact O-N 2.64Å; S152-F155 VanDerWaalsContact O-N 3.13Å; S152-F156 WeakPolarHBondContact O-CB 3.43Å; S152-F156 PolarHBondContact O-N 2.9Å
153L85.3Confident83.2Confident4 Ų476.8 Ų76.82%0.02136%0.357CS..Hα-helixtrans-55.8-43.1-176.4-174.863000112.9V146 N149 R150 F156 L157 I180V146-L153 HydrophobicContact CG1-CD1 3.81Å; V146-L153 HydrophobicContact CG1-CD2 3.81Å; V146-L153 HydrophobicContact CG1-CG 4.44Å; V146-L153 HydrophobicContact CG2-CD1 4.31Å; N149-L153 PolarHBondContact O-N 3.21Å; R150-L153 WeakPolarHBondContact O-CB 3.48Å; R150-L153 PolarHBondContact O-N 3.25Å; L153-F156 PolarHBondContact O-N 3.37Å; L153-L157 HydrophobicContact CD1-CG 4.49Å; L153-L157 HydrophobicContact CG-CD1 4.25Å; L153-L157 WeakPolarHBondContact O-CB 3.12Å; L153-L157 VanDerWaalsContact O-CG 3.28Å; L153-L157 WeakPolarHBondContact O-CG 3.43Å; L153-L157 PolarHBondContact O-N 2.87Å; L153-I180 HydrophobicContact CD1-CD1 4.09Å; L153-I180 HydrophobicContact CD1-CG1 4.4Å; L153-I180 HydrophobicContact CD2-CB 4.31Å; L153-I180 HydrophobicContact CD2-CG1 4.06Å; L153-I180 HydrophobicContact CD2-CG2 3.92Å; L153-I180 HydrophobicContact CG-CG2 4.48Å
154F85.8Confident82.1Confident49 Ų4978.7 Ų78.722%0.21537%0.374CS..Hα-helixtrans-60.3-48.9177.2174.2-101.2000111.9S152 F156 L157 L158 Q184 F187 I191S152-F154 VanDerWaalsContact C-N 3.32Å; S152-F154 PolarHBondContact O-N 3.48Å; F154-F156 VanDerWaalsContact C-N 3.33Å; F154-F156 PolarHBondContact O-N 3.25Å; F154-L157 PolarHBondContact O-N 3.28Å; F154-L158 WeakPolarHBondContact O-CB 3.34Å; F154-L158 PolarHBondContact O-N 3.08Å; F154-Q184 HydrophobicContact CD2-CB 4.41Å; F154-F187 HydrophobicContact CE2-CB 3.74Å; F154-F187 HydrophobicContact CZ-CB 4.41Å; F154-I191 HydrophobicContact CZ-CD1 4.21Å
155F85.1Confident81.3Confident142 Ų14275.3 Ų75.362%0.62337%0.367SS*.Hα-helixtrans-66.4-36.5178.1-69.5-74.1000112S152 L158 F159S152-F155 PolarHBondContact O-N 2.64Å; S152-F155 VanDerWaalsContact O-N 3.13Å; F155-L158 PolarHBondContact O-N 3.19Å; F155-F159 VanDerWaalsContact O-CB 3.26Å; F155-F159 WeakPolarHBondContact O-CB 3.37Å; F155-F159 PolarHBondContact O-N 3.49Å
156F85.9Confident80.9Confident113 Ų11371.1 Ų71.150%0.49635%0.352SS..Hα-helixtrans-63.5-46174.7178.8-104.2000111.8S152 L153 F154 F159 L160S152-F156 WeakPolarHBondContact O-CB 3.43Å; S152-F156 PolarHBondContact O-N 2.9Å; L153-F156 PolarHBondContact O-N 3.37Å; F154-F156 VanDerWaalsContact C-N 3.33Å; F154-F156 PolarHBondContact O-N 3.25Å; F156-F159 WeakPolarHBondContact O-CB 3.44Å; F156-F159 PolarHBondContact O-N 2.98Å; F156-L160 HydrophobicContact CD1-CD1 3.87Å; F156-L160 HydrophobicContact CD1-CG 4.48Å; F156-L160 HydrophobicContact CE1-CD1 3.3Å; F156-L160 HydrophobicContact CE1-CG 4.15Å; F156-L160 HydrophobicContact CE2-CD1 4.32Å; F156-L160 HydrophobicContact CE2-CG 4.39Å; F156-L160 HydrophobicContact CZ-CD1 3.56Å; F156-L160 HydrophobicContact CZ-CD2 4.4Å; F156-L160 HydrophobicContact CZ-CG 4.09Å; F156-L160 WeakPolarHBondContact O-CG 3.4Å; F156-L160 PolarHBondContact O-N 3.34Å
157L86.4Confident80.7Confident6 Ų673.6 Ų73.63%0.03137%0.368CS..Hα-helixtrans-65.2-40.3175.5-69.4170.5000112L153 F154 F159 L160 R161 I180 S188L153-L157 HydrophobicContact CD1-CG 4.49Å; L153-L157 HydrophobicContact CG-CD1 4.25Å; L153-L157 WeakPolarHBondContact O-CB 3.12Å; L153-L157 VanDerWaalsContact O-CG 3.28Å; L153-L157 WeakPolarHBondContact O-CG 3.43Å; L153-L157 PolarHBondContact O-N 2.87Å; F154-L157 PolarHBondContact O-N 3.28Å; L157-F159 VanDerWaalsContact C-N 3.35Å; L157-L160 PolarHBondContact O-N 2.75Å; L157-R161 WeakPolarHBondContact O-CG 3.37Å; L157-R161 PolarHBondContact O-N 2.74Å; L157-R161 VanDerWaalsContact O-N 3.08Å; L157-I180 HydrophobicContact CD1-CD1 4.07Å; L157-I180 HydrophobicContact CD1-CG2 3.72Å; L157-I180 HydrophobicContact CD2-CD1 3.93Å; L157-I180 HydrophobicContact CG-CD1 4.44Å; L157-S188 WeakPolarHBondContact CB-OG 3.49Å
158L86.6Confident80.7Confident28 Ų2871 Ų7115%0.14736%0.357CS..Hα-helixtrans-59.7-48.1174.9-175.869.6000110.6F154 F155 L160 R161 L162 S188 I191F154-L158 WeakPolarHBondContact O-CB 3.34Å; F154-L158 PolarHBondContact O-N 3.08Å; F155-L158 PolarHBondContact O-N 3.19Å; L158-L160 PolarHBondContact O-N 3.24Å; L158-R161 PolarHBondContact O-N 3.31Å; L158-R161 VanDerWaalsContact O-N 3.14Å; L158-L162 HydrophobicContact CD1-CD1 4.35Å; L158-L162 HydrophobicContact CD1-CG 4.49Å; L158-L162 HydrophobicContact CD2-CD1 4.43Å; L158-L162 HydrophobicContact CG-CD1 3.89Å; L158-L162 HydrophobicContact CG-CG 4.4Å; L158-L162 WeakPolarHBondContact O-CB 3.31Å; L158-L162 VanDerWaalsContact O-CG 3.31Å; L158-L162 WeakPolarHBondContact O-CG 3.49Å; L158-L162 PolarHBondContact O-N 2.91Å; L158-S188 PolarHBondContact N-OG 3.33Å; L158-I191 HydrophobicContact CD1-CB 4.06Å; L158-I191 HydrophobicContact CD1-CG2 3.86Å
159F84.7Confident80.7Confident110 Ų11070.4 Ų70.448%0.48235%0.35SS..Hα-helixtrans-56.1-51.4174.2-178.3-88.2000110.6F155 F156 L157 R161 L162 F163F155-F159 VanDerWaalsContact O-CB 3.26Å; F155-F159 WeakPolarHBondContact O-CB 3.37Å; F155-F159 PolarHBondContact O-N 3.49Å; F156-F159 WeakPolarHBondContact O-CB 3.44Å; F156-F159 PolarHBondContact O-N 2.98Å; L157-F159 VanDerWaalsContact C-N 3.35Å; F159-R161 PolarHBondContact O-N 3.13Å; F159-L162 PolarHBondContact O-N 3.07Å; F159-F163 HydrophobicContact CB-CD2 4.36Å; F159-F163 AromaticContact CD1-CD2 3.87Å; F159-F163 HydrophobicContact CD1-CD2 3.87Å; F159-F163 AromaticContact CD2-CD2 3.25Å; F159-F163 HydrophobicContact CD2-CD2 3.25Å; F159-F163 AromaticContact CD2-CE2 3.16Å; F159-F163 HydrophobicContact CD2-CE2 3.16Å; F159-F163 HydrophobicContact CD2-CG 4.44Å; F159-F163 HydrophobicContact CD2-CZ 4.28Å; F159-F163 HydrophobicContact CE1-CB 4.43Å; F159-F163 AromaticContact CE1-CD2 3.86Å; F159-F163 HydrophobicContact CE1-CD2 3.86Å; F159-F163 HydrophobicContact CE1-CG 4.3Å; F159-F163 AromaticContact CE2-CD2 3.23Å; F159-F163 HydrophobicContact CE2-CD2 3.23Å; F159-F163 AromaticContact CE2-CE2 3.1Å; F159-F163 HydrophobicContact CE2-CE2 3.1Å; F159-F163 HydrophobicContact CE2-CG 4.13Å; F159-F163 AromaticContact CE2-CZ 3.86Å; F159-F163 HydrophobicContact CE2-CZ 3.86Å; F159-F163 AromaticContact CG-CD2 3.56Å; F159-F163 HydrophobicContact CG-CD2 3.56Å; F159-F163 AromaticContact CG-CE2 3.95Å; F159-F163 HydrophobicContact CG-CE2 3.95Å; F159-F163 AromaticContact CZ-CD2 3.54Å; F159-F163 HydrophobicContact CZ-CD2 3.54Å; F159-F163 AromaticContact CZ-CE2 3.86Å; F159-F163 HydrophobicContact CZ-CE2 3.86Å; F159-F163 HydrophobicContact CZ-CG 4.04Å; F159-F163 WeakPolarHBondContact O-CB 3.28Å; F159-F163 WeakPolarHBondContact O-CD2 3.24Å; F159-F163 PolarHBondContact O-N 3.14Å
160L82.6Confident81Confident27 Ų2771.5 Ų71.514%0.14135%0.351CS..Hα-helixtrans-61.6-19.4178.9-72.8-179.6000115.1F156 L157 L158 F163 L171F156-L160 HydrophobicContact CD1-CD1 3.87Å; F156-L160 HydrophobicContact CD1-CG 4.48Å; F156-L160 HydrophobicContact CE1-CD1 3.3Å; F156-L160 HydrophobicContact CE1-CG 4.15Å; F156-L160 HydrophobicContact CE2-CD1 4.32Å; F156-L160 HydrophobicContact CE2-CG 4.39Å; F156-L160 HydrophobicContact CZ-CD1 3.56Å; F156-L160 HydrophobicContact CZ-CD2 4.4Å; F156-L160 HydrophobicContact CZ-CG 4.09Å; F156-L160 WeakPolarHBondContact O-CG 3.4Å; F156-L160 PolarHBondContact O-N 3.34Å; L157-L160 PolarHBondContact O-N 2.75Å; L158-L160 PolarHBondContact O-N 3.24Å; L160-F163 CarbonylContact C-O 3.38Å; L160-L171 HydrophobicContact CB-CD1 4.05Å; L160-L171 HydrophobicContact CB-CD2 4.46Å; L160-L171 HydrophobicContact CD1-CD2 3.94Å
161R86.5Confident81.5Confident11 Ų1168.6 Ų68.64%0.04234%0.34CS..Hα-helixtrans-92.4-38.6176.4-71.2179-175.1-75.40.5112.5L157 L158 F159 F163 N168 L171 N172 S188 L193L157-R161 WeakPolarHBondContact O-CG 3.37Å; L157-R161 PolarHBondContact O-N 2.74Å; L157-R161 VanDerWaalsContact O-N 3.08Å; L158-R161 PolarHBondContact O-N 3.31Å; L158-R161 VanDerWaalsContact O-N 3.14Å; F159-R161 PolarHBondContact O-N 3.13Å; R161-F163 VanDerWaalsContact C-N 3.3Å; R161-N168 PolarHBondContact NH1-OD1 3.2Å; R161-L171 HydrophobicContact CG-CD1 3.91Å; R161-N172 PolarHBondContact NH1-OD1 3.31Å; R161-N172 PolarHBondContact NH2-OD1 3.3Å; R161-S188 WeakPolarHBondContact CD-O 3.42Å; R161-S188 PolarHBondContact NE-OG 3.24Å; R161-L193 HydrophobicContact CB-CD2 4.31Å
162L77.9Confident82.1Confident71 Ų7160.9 Ų60.937%0.37230%0.299SS..Hα-helixtrans-66.2-37.7173.7-70173.9000111.1L158 F159 P164 G192 P195L158-L162 HydrophobicContact CD1-CD1 4.35Å; L158-L162 HydrophobicContact CD1-CG 4.49Å; L158-L162 HydrophobicContact CD2-CD1 4.43Å; L158-L162 HydrophobicContact CG-CD1 3.89Å; L158-L162 HydrophobicContact CG-CG 4.4Å; L158-L162 WeakPolarHBondContact O-CB 3.31Å; L158-L162 VanDerWaalsContact O-CG 3.31Å; L158-L162 WeakPolarHBondContact O-CG 3.49Å; L158-L162 PolarHBondContact O-N 2.91Å; F159-L162 PolarHBondContact O-N 3.07Å; L162-P164 WeakPolarHBondContact O-CD 3.15Å; L162-G192 WeakPolarHBondContact CD2-O 3.34Å; L162-P195 HydrophobicContact CD2-CG 3.78Å
163F75.6Confident82.4Confident73 Ų7361.6 Ų61.632%0.3230%0.299SS..SBendtrans-101.9105.6176.6-61.7-75.7000108.5F159 L160 R161 M165 I239F159-F163 HydrophobicContact CB-CD2 4.36Å; F159-F163 AromaticContact CD1-CD2 3.87Å; F159-F163 HydrophobicContact CD1-CD2 3.87Å; F159-F163 AromaticContact CD2-CD2 3.25Å; F159-F163 HydrophobicContact CD2-CD2 3.25Å; F159-F163 AromaticContact CD2-CE2 3.16Å; F159-F163 HydrophobicContact CD2-CE2 3.16Å; F159-F163 HydrophobicContact CD2-CG 4.44Å; F159-F163 HydrophobicContact CD2-CZ 4.28Å; F159-F163 HydrophobicContact CE1-CB 4.43Å; F159-F163 AromaticContact CE1-CD2 3.86Å; F159-F163 HydrophobicContact CE1-CD2 3.86Å; F159-F163 HydrophobicContact CE1-CG 4.3Å; F159-F163 AromaticContact CE2-CD2 3.23Å; F159-F163 HydrophobicContact CE2-CD2 3.23Å; F159-F163 AromaticContact CE2-CE2 3.1Å; F159-F163 HydrophobicContact CE2-CE2 3.1Å; F159-F163 HydrophobicContact CE2-CG 4.13Å; F159-F163 AromaticContact CE2-CZ 3.86Å; F159-F163 HydrophobicContact CE2-CZ 3.86Å; F159-F163 AromaticContact CG-CD2 3.56Å; F159-F163 HydrophobicContact CG-CD2 3.56Å; F159-F163 AromaticContact CG-CE2 3.95Å; F159-F163 HydrophobicContact CG-CE2 3.95Å; F159-F163 AromaticContact CZ-CD2 3.54Å; F159-F163 HydrophobicContact CZ-CD2 3.54Å; F159-F163 AromaticContact CZ-CE2 3.86Å; F159-F163 HydrophobicContact CZ-CE2 3.86Å; F159-F163 HydrophobicContact CZ-CG 4.04Å; F159-F163 WeakPolarHBondContact O-CB 3.28Å; F159-F163 WeakPolarHBondContact O-CD2 3.24Å; F159-F163 PolarHBondContact O-N 3.14Å; L160-F163 CarbonylContact C-O 3.38Å; R161-F163 VanDerWaalsContact C-N 3.3Å; F163-M165 PolarHBondContact O-N 3.49Å; F163-I239 HydrophobicContact CB-CD1 4.13Å; F163-I239 HydrophobicContact CD1-CD1 3.64Å; F163-I239 HydrophobicContact CD1-CG1 4.33Å; F163-I239 HydrophobicContact CG-CD1 4.36Å
164P65.6Low82.4Confident89 Ų8962.3 Ų62.358%0.57830%0.304SS*.THydrogen-bonded Turntrans-74.944.7-170.433.2-38.2000113.2L162 T166L162-P164 WeakPolarHBondContact O-CD 3.15Å; P164-T166 VanDerWaalsContact C-N 3.28Å
165M67.5Low82.6Confident110 Ų11060 Ų6054%0.54229%0.294SS..THydrogen-bonded Turntrans-68.2-32.6174.4-72.1-67.5-119.900111.5F163 I239F163-M165 PolarHBondContact O-N 3.49Å; M165-I239 HydrophobicContact CE-CG2 3.18Å; M165-I239 HydrophobicContact CG-CG2 4.16Å; M165-I239 HydrophobicContact SD-CG2 3.29Å; M165-I239 WeakPolarHBondContact SD-CG2 3.31Å
166T73.3Confident82.9Confident35 Ų3553.3 Ų53.322%0.21527%0.265CS..SBendtrans-120.3132.6-176.4-54.50000109.8P164 N168 F170 L171P164-T166 VanDerWaalsContact C-N 3.28Å; T166-N168 PolarHBondContact O-N 3.38Å; T166-F170 HydrophobicContact CG2-CB 4.16Å; T166-F170 HydrophobicContact CG2-CD1 3.46Å; T166-F170 VanDerWaalsContact CG2-CD1 3.46Å; T166-F170 HydrophobicContact CG2-CE1 4.28Å; T166-F170 HydrophobicContact CG2-CG 4.17Å; T166-L171 HydrophobicContact CG2-CD2 3.83Å; T166-L171 HydrophobicContact CG2-CG 3.82Å
167P80.4Confident83Confident68 Ų6848.6 Ų48.644%0.44224%0.244SC..  trans-56.9136.6175.2-24.433.4000112W169 F170 L171P167-W169 VanDerWaalsContact CB-CD1 3.42Å; P167-W169 HydrophobicContact CB-CD2 4.43Å; P167-W169 HydrophobicContact CB-CG 4.16Å; P167-W169 PolarHBondContact O-N 3.41Å; P167-F170 HydrophobicContact CB-CB 4.29Å; P167-F170 WeakPolarHBondContact O-CB 3.26Å; P167-F170 PolarHBondContact O-N 2.95Å; P167-L171 PolarHBondContact O-N 2.9Å
168N83.3Confident83Confident49 Ų4949.6 Ų49.626%0.26225%0.25SC..Hα-helixtrans-56.7-38.4-179.9-93-59.9000112.8R161 T166 F170 L171 N172 L193R161-N168 PolarHBondContact NH1-OD1 3.2Å; T166-N168 PolarHBondContact O-N 3.38Å; N168-F170 VanDerWaalsContact C-N 3.25Å; N168-F170 PolarHBondContact O-N 3.38Å; N168-L171 PolarHBondContact O-N 3.25Å; N168-N172 PolarHBondContact O-N 3.08Å; N168-N172 PolarHBondContact O-ND2 2.87Å; N168-N172 PolarHBondContact O-OD1 2.83Å; N168-L193 WeakPolarHBondContact ND2-CD2 3.48Å
169W84.3Confident82.9Confident129 Ų12951.3 Ų51.349%0.48926%0.259SS..Hα-helixtrans-59.8-38.3176.668.2-101000112.2A84 P167 N172 L173A84-W169 HydrophobicContact CB-CB 3.56Å; P167-W169 VanDerWaalsContact CB-CD1 3.42Å; P167-W169 HydrophobicContact CB-CD2 4.43Å; P167-W169 HydrophobicContact CB-CG 4.16Å; P167-W169 PolarHBondContact O-N 3.41Å; W169-N172 PolarHBondContact O-N 3.4Å; W169-L173 HydrophobicContact CZ3-CD2 4.38Å; W169-L173 WeakPolarHBondContact O-CB 3.36Å; W169-L173 PolarHBondContact O-N 2.83Å
170F86.3Confident83.1Confident100 Ų10046.3 Ų46.344%0.43924%0.237SC..Hα-helixtrans-69.6-42.3-178.2-178.5-90.9000110.9T166 P167 N168 N172 L173 S174T166-F170 HydrophobicContact CG2-CB 4.16Å; T166-F170 HydrophobicContact CG2-CD1 3.46Å; T166-F170 VanDerWaalsContact CG2-CD1 3.46Å; T166-F170 HydrophobicContact CG2-CE1 4.28Å; T166-F170 HydrophobicContact CG2-CG 4.17Å; P167-F170 HydrophobicContact CB-CB 4.29Å; P167-F170 WeakPolarHBondContact O-CB 3.26Å; P167-F170 PolarHBondContact O-N 2.95Å; N168-F170 VanDerWaalsContact C-N 3.25Å; N168-F170 PolarHBondContact O-N 3.38Å; F170-N172 VanDerWaalsContact C-N 3.32Å; F170-N172 PolarHBondContact O-N 3.4Å; F170-L173 PolarHBondContact O-N 3.39Å; F170-S174 VanDerWaalsContact O-CB 3.25Å; F170-S174 WeakPolarHBondContact O-CB 3.25Å; F170-S174 PolarHBondContact O-N 3.49Å; F170-S174 PolarHBondContact O-OG 3.14Å
171L87.6Confident83.4Confident10 Ų1047 Ų475%0.05224%0.243CC..Hα-helixtrans-61.7-41.4174.3-67.8176.4000111.7L160 R161 T166 P167 N168 S174 A175L160-L171 HydrophobicContact CB-CD1 4.05Å; L160-L171 HydrophobicContact CB-CD2 4.46Å; L160-L171 HydrophobicContact CD1-CD2 3.94Å; R161-L171 HydrophobicContact CG-CD1 3.91Å; T166-L171 HydrophobicContact CG2-CD2 3.83Å; T166-L171 HydrophobicContact CG2-CG 3.82Å; P167-L171 PolarHBondContact O-N 2.9Å; N168-L171 PolarHBondContact O-N 3.25Å; L171-S174 WeakPolarHBondContact CA-OG 3.31Å; L171-S174 PolarHBondContact O-OG 3.12Å; L171-A175 VanDerWaalsContact O-CB 3.23Å; L171-A175 WeakPolarHBondContact O-CB 3.48Å; L171-A175 PolarHBondContact O-N 3.38Å
172N91.1Very high83.6Confident3 Ų349.7 Ų49.72%0.01626%0.258CS..Hα-helixtrans-65.9-39.1178.7-60.8-9.9000112.1A116 C119 R161 N168 W169 F170 P176 F185A116-N172 WeakPolarHBondContact CB-ND2 3.44Å; C119-N172 HydrophobicContact CB-CB 4.18Å; R161-N172 PolarHBondContact NH1-OD1 3.31Å; R161-N172 PolarHBondContact NH2-OD1 3.3Å; N168-N172 PolarHBondContact O-N 3.08Å; N168-N172 PolarHBondContact O-ND2 2.87Å; N168-N172 PolarHBondContact O-OD1 2.83Å; W169-N172 PolarHBondContact O-N 3.4Å; F170-N172 VanDerWaalsContact C-N 3.32Å; F170-N172 PolarHBondContact O-N 3.4Å; N172-P176 WeakPolarHBondContact O-CD 3.15Å; N172-F185 HydrophobicContact CB-CE2 4.4Å; N172-F185 HydrophobicContact CB-CZ 3.94Å; N172-F185 VanDerWaalsContact OD1-CZ 3.26Å; N172-F185 WeakPolarHBondContact OD1-CZ 2.97Å
173L88.3Confident84.2Confident67 Ų6750.7 Ų50.735%0.35127%0.267SS..Hα-helixtrans-74-38.8178.2-167.877.4000112.5S123 W169 F170 P176 I177S123-L173 VanDerWaalsContact OG-CD1 3.24Å; S123-L173 WeakPolarHBondContact OG-CD1 3.38Å; S123-L173 PolarHBondContact OG-O 3.4Å; W169-L173 HydrophobicContact CZ3-CD2 4.38Å; W169-L173 WeakPolarHBondContact O-CB 3.36Å; W169-L173 PolarHBondContact O-N 2.83Å; F170-L173 PolarHBondContact O-N 3.39Å; L173-P176 VanDerWaalsContact O-CD 3.31Å; L173-P176 WeakPolarHBondContact O-CD 3.43Å; L173-P176 WeakPolarHBondContact O-CG 2.99Å; L173-I177 WeakPolarHBondContact O-CD1 3.45Å
174S86.9Confident84.8Confident19 Ų1949.9 Ų49.913%0.13326%0.264CS..Hα-helixtrans-81.4-31.5-175.257.80000113.9F170 L171 P176 I177 L178F170-S174 VanDerWaalsContact O-CB 3.25Å; F170-S174 WeakPolarHBondContact O-CB 3.25Å; F170-S174 PolarHBondContact O-N 3.49Å; F170-S174 PolarHBondContact O-OG 3.14Å; L171-S174 WeakPolarHBondContact CA-OG 3.31Å; L171-S174 PolarHBondContact O-OG 3.12Å; S174-P176 VanDerWaalsContact C-CD 3.49Å; S174-I177 WeakPolarHBondContact O-CA 3.26Å; S174-I177 WeakPolarHBondContact O-CB 3.44Å; S174-I177 PolarHBondContact O-N 3.2Å; S174-L178 WeakPolarHBondContact O-CG 3.44Å; S174-L178 PolarHBondContact O-N 3.49Å
175A89.6Confident86Confident1 Ų145.7 Ų45.71%0.00824%0.237CC..Hα-helixtrans-49.7-46.6179.400000115.4Y120 L171 I177 L178 N179 I180 F185Y120-A175 HydrophobicContact CD2-CB 3.78Å; Y120-A175 HydrophobicContact CE2-CB 3.84Å; L171-A175 VanDerWaalsContact O-CB 3.23Å; L171-A175 WeakPolarHBondContact O-CB 3.48Å; L171-A175 PolarHBondContact O-N 3.38Å; A175-I177 VanDerWaalsContact C-N 3.33Å; A175-I177 PolarHBondContact O-N 3.01Å; A175-L178 PolarHBondContact O-N 3.43Å; A175-N179 PolarHBondContact O-N 3.19Å; A175-I180 HydrophobicContact CB-CB 4.22Å; A175-I180 HydrophobicContact CB-CD1 4.03Å; A175-I180 HydrophobicContact CB-CG1 4.44Å; A175-I180 WeakPolarHBondContact O-CB 3.46Å; A175-I180 WeakPolarHBondContact O-CG1 3.3Å; A175-I180 PolarHBondContact O-N 3.2Å; A175-F185 HydrophobicContact CB-CD2 3.54Å; A175-F185 HydrophobicContact CB-CE2 3.74Å; A175-F185 HydrophobicContact CB-CG 4.46Å
176P90.1Very high87.2Confident1 Ų143.5 Ų43.51%0.00622%0.224CC..Hα-helixtrans-71.7-28.6177.826.4-32.6000113Y120 N172 L173 S174 L178 N179Y120-P176 HydrophobicContact CD1-CB 4.29Å; Y120-P176 HydrophobicContact CD2-CB 4.02Å; Y120-P176 VanDerWaalsContact CD2-CD 3.45Å; Y120-P176 HydrophobicContact CD2-CG 4.03Å; Y120-P176 HydrophobicContact CE1-CB 3.97Å; Y120-P176 HydrophobicContact CE2-CB 3.71Å; Y120-P176 HydrophobicContact CE2-CG 4.18Å; Y120-P176 HydrophobicContact CG-CB 4.27Å; Y120-P176 HydrophobicContact CG-CG 4.26Å; Y120-P176 WeakPolarHBondContact O-CG 3.21Å; N172-P176 WeakPolarHBondContact O-CD 3.15Å; L173-P176 VanDerWaalsContact O-CD 3.31Å; L173-P176 WeakPolarHBondContact O-CD 3.43Å; L173-P176 WeakPolarHBondContact O-CG 2.99Å; S174-P176 VanDerWaalsContact C-CD 3.49Å; P176-L178 VanDerWaalsContact C-N 3.28Å; P176-N179 PolarHBondContact O-N 3.45Å
177I87.6Confident88.1Confident13 Ų1346.5 Ų46.57%0.06724%0.235CC..Hα-helixtrans-67.7-35.6176.3-53.3174.2000109.6V131 V139 Q143 L173 S174 A175 N179V131-I177 HydrophobicContact CB-CD1 3.95Å; V131-I177 HydrophobicContact CB-CG2 4.4Å; V131-I177 HydrophobicContact CG1-CD1 4.09Å; V131-I177 HydrophobicContact CG1-CG2 4.12Å; V131-I177 HydrophobicContact CG2-CD1 3.79Å; V139-I177 HydrophobicContact CG1-CG2 3.82Å; V139-I177 HydrophobicContact CG2-CG2 4.14Å; Q143-I177 PolarHBondContact NE2-O 3.45Å; L173-I177 WeakPolarHBondContact O-CD1 3.45Å; S174-I177 WeakPolarHBondContact O-CA 3.26Å; S174-I177 WeakPolarHBondContact O-CB 3.44Å; S174-I177 PolarHBondContact O-N 3.2Å; A175-I177 VanDerWaalsContact C-N 3.33Å; A175-I177 PolarHBondContact O-N 3.01Å; I177-N179 VanDerWaalsContact C-N 3.3Å; I177-N179 PolarHBondContact O-N 3.42Å
178L86.4Confident88.5Confident28 Ų2843.3 Ų43.315%0.14721%0.214CC..THydrogen-bonded Turntrans-84.96.3177.9-61.2-178.6000114.3L142 Q143 V146 S174 A175 P176 I180L142-L178 HydrophobicContact CB-CD2 3.45Å; L142-L178 VanDerWaalsContact CB-CD2 3.45Å; L142-L178 HydrophobicContact CD1-CD2 4.25Å; L142-L178 HydrophobicContact CG-CD2 4.49Å; Q143-L178 HydrophobicContact CG-CD2 4.48Å; V146-L178 HydrophobicContact CG2-CB 4.31Å; V146-L178 HydrophobicContact CG2-CD1 4.27Å; S174-L178 WeakPolarHBondContact O-CG 3.44Å; S174-L178 PolarHBondContact O-N 3.49Å; A175-L178 PolarHBondContact O-N 3.43Å; P176-L178 VanDerWaalsContact C-N 3.28Å; L178-I180 HydrophobicContact CB-CD1 4.33Å; L178-I180 HydrophobicContact CB-CG1 4Å; L178-I180 PolarHBondContact O-N 2.89Å
179N85.9Confident88.9Confident64 Ų6441 Ų4134%0.34220%0.201SC..THydrogen-bonded Turntrans56.434.1-176.8-59.7-59.5000114.3K128 Q143 R150 A175 P176 I177K128-N179 PolarHBondContact NZ-OD1 3.35Å; Q143-N179 PolarHBondContact NE2-ND2 3.3Å; Q143-N179 VanDerWaalsContact NE2-ND2 3.15Å; R150-N179 PolarHBondContact NH2-O 3.41Å; A175-N179 PolarHBondContact O-N 3.19Å; P176-N179 PolarHBondContact O-N 3.45Å; I177-N179 VanDerWaalsContact C-N 3.3Å; I177-N179 PolarHBondContact O-N 3.42Å
180I88.2Confident89.3Confident4 Ų437 Ų372%0.02119%0.189CC..  trans-71.7131.8172.8-57.2-172.4000108.6Y120 V146 L153 L157 A175 L178 F185Y120-I180 PolarHBondContact OH-O 3.18Å; V146-I180 HydrophobicContact CG1-CG1 4.31Å; L153-I180 HydrophobicContact CD1-CD1 4.09Å; L153-I180 HydrophobicContact CD1-CG1 4.4Å; L153-I180 HydrophobicContact CD2-CB 4.31Å; L153-I180 HydrophobicContact CD2-CG1 4.06Å; L153-I180 HydrophobicContact CD2-CG2 3.92Å; L153-I180 HydrophobicContact CG-CG2 4.48Å; L157-I180 HydrophobicContact CD1-CD1 4.07Å; L157-I180 HydrophobicContact CD1-CG2 3.72Å; L157-I180 HydrophobicContact CD2-CD1 3.93Å; L157-I180 HydrophobicContact CG-CD1 4.44Å; A175-I180 HydrophobicContact CB-CB 4.22Å; A175-I180 HydrophobicContact CB-CD1 4.03Å; A175-I180 HydrophobicContact CB-CG1 4.44Å; A175-I180 WeakPolarHBondContact O-CB 3.46Å; A175-I180 WeakPolarHBondContact O-CG1 3.3Å; A175-I180 PolarHBondContact O-N 3.2Å; L178-I180 HydrophobicContact CB-CD1 4.33Å; L178-I180 HydrophobicContact CB-CG1 4Å; L178-I180 PolarHBondContact O-N 2.89Å; I180-F185 HydrophobicContact CG2-CB 4.33Å
181P89.6Confident89.5Confident41 Ų4135.9 Ų35.927%0.26619%0.187SC..  trans-68.7137-179.327.2-31.1000111.1V183 Q184 F185P181-V183 PolarHBondContact O-N 2.99Å; P181-V183 VanDerWaalsContact O-N 3.15Å; P181-Q184 HydrophobicContact CG-CB 4Å; P181-Q184 VanDerWaalsContact CG-CD 3.44Å; P181-Q184 HydrophobicContact CG-CG 3.72Å; P181-Q184 PolarHBondContact O-N 3.36Å; P181-F185 PolarHBondContact O-N 3.48Å; P181-F185 VanDerWaalsContact O-N 3.09Å
182I89.9Confident89.5Confident68 Ų6835.5 Ų35.535%0.34919%0.186SC..Hα-helixtrans-55.6-34.6-175.7-167.3167.1000113.2T117 Y120 L121 F185 F186T117-I182 HydrophobicContact CG2-CD1 3.69Å; T117-I182 HydrophobicContact CG2-CG1 4Å; Y120-I182 HydrophobicContact CD1-CD1 4.41Å; Y120-I182 HydrophobicContact CD1-CG1 4.45Å; Y120-I182 HydrophobicContact CE1-CB 4.35Å; Y120-I182 HydrophobicContact CE1-CD1 4.46Å; Y120-I182 HydrophobicContact CE1-CG1 4.41Å; L121-I182 HydrophobicContact CD2-CD1 4.06Å; I182-F185 PolarHBondContact O-N 3.02Å; I182-F186 VanDerWaalsContact O-CB 3.31Å; I182-F186 WeakPolarHBondContact O-CB 3.24Å; I182-F186 PolarHBondContact O-N 3.42Å
183V90.6Very high89.3Confident92 Ų9235.6 Ų35.656%0.55819%0.186SC*.Hα-helixtrans-66.3-49.3-179.4-178.50000111P181 F185 F186 F187P181-V183 PolarHBondContact O-N 2.99Å; P181-V183 VanDerWaalsContact O-N 3.15Å; V183-F185 VanDerWaalsContact C-N 3.28Å; V183-F185 PolarHBondContact O-N 3.05Å; V183-F186 PolarHBondContact O-N 3.03Å; V183-F187 HydrophobicContact CG1-CD2 3.82Å; V183-F187 HydrophobicContact CG1-CE2 3.75Å; V183-F187 VanDerWaalsContact O-CD2 3.27Å; V183-F187 WeakPolarHBondContact O-CD2 3.27Å; V183-F187 PolarHBondContact O-N 3.21Å; V183-F187 VanDerWaalsContact O-N 3.1Å
184Q88.9Confident89.4Confident57 Ų5735.7 Ų35.727%0.26619%0.186SC..Hα-helixtrans-64.1-38.7177.5-64.9-179.412.700111F154 P181 S188F154-Q184 HydrophobicContact CD2-CB 4.41Å; P181-Q184 HydrophobicContact CG-CB 4Å; P181-Q184 VanDerWaalsContact CG-CD 3.44Å; P181-Q184 HydrophobicContact CG-CG 3.72Å; P181-Q184 PolarHBondContact O-N 3.36Å; Q184-S188 WeakPolarHBondContact O-CB 3.34Å; Q184-S188 PolarHBondContact O-N 3.41Å
185F90.6Very high89.4Confident0 Ų037.8 Ų37.80%020%0.2CC..Hα-helixtrans-61.4-48.5174.8174.8-94.1000111.9A116 Y120 N172 A175 I180 P181 I182 V183 S188 V189A116-F185 HydrophobicContact CB-CE1 4.08Å; A116-F185 HydrophobicContact CB-CZ 4.09Å; A116-F185 WeakPolarHBondContact O-CE1 3.33Å; Y120-F185 HydrophobicContact CD2-CD1 4.01Å; Y120-F185 HydrophobicContact CD2-CD2 4.17Å; Y120-F185 HydrophobicContact CD2-CE1 4.21Å; Y120-F185 HydrophobicContact CD2-CE2 4.33Å; Y120-F185 AromaticContact CD2-CG 3.99Å; Y120-F185 HydrophobicContact CD2-CG 3.99Å; Y120-F185 HydrophobicContact CD2-CZ 4.35Å; Y120-F185 HydrophobicContact CE2-CG 4.47Å; Y120-F185 HydrophobicContact CG-CD1 4.34Å; Y120-F185 HydrophobicContact CG-CE1 4.32Å; N172-F185 HydrophobicContact CB-CE2 4.4Å; N172-F185 HydrophobicContact CB-CZ 3.94Å; N172-F185 VanDerWaalsContact OD1-CZ 3.26Å; N172-F185 WeakPolarHBondContact OD1-CZ 2.97Å; A175-F185 HydrophobicContact CB-CD2 3.54Å; A175-F185 HydrophobicContact CB-CE2 3.74Å; A175-F185 HydrophobicContact CB-CG 4.46Å; I180-F185 HydrophobicContact CG2-CB 4.33Å; P181-F185 PolarHBondContact O-N 3.48Å; P181-F185 VanDerWaalsContact O-N 3.09Å; I182-F185 PolarHBondContact O-N 3.02Å; V183-F185 VanDerWaalsContact C-N 3.28Å; V183-F185 PolarHBondContact O-N 3.05Å; F185-S188 WeakPolarHBondContact O-CB 3.38Å; F185-S188 PolarHBondContact O-N 3.28Å; F185-V189 HydrophobicContact CD1-CG2 4.25Å; F185-V189 HydrophobicContact CE1-CG2 3.87Å; F185-V189 HydrophobicContact CE2-CG2 4.23Å; F185-V189 HydrophobicContact CZ-CG2 3.86Å; F185-V189 VanDerWaalsContact O-CG2 3.25Å; F185-V189 WeakPolarHBondContact O-CG2 3.41Å; F185-V189 PolarHBondContact O-N 3.03Å
186F92.4Very high89.2Confident64 Ų6442.4 Ų42.428%0.28122%0.217SC..Hα-helixtrans-59.3-51.4-179.2179.4-90.5000111.6T117 I182 V183 S188 V189 L190T117-F186 WeakPolarHBondContact OG1-CD2 3.4Å; I182-F186 VanDerWaalsContact O-CB 3.31Å; I182-F186 WeakPolarHBondContact O-CB 3.24Å; I182-F186 PolarHBondContact O-N 3.42Å; V183-F186 PolarHBondContact O-N 3.03Å; F186-S188 VanDerWaalsContact C-N 3.3Å; F186-S188 PolarHBondContact O-N 3.07Å; F186-V189 PolarHBondContact O-N 3.17Å; F186-L190 HydrophobicContact CE1-CD2 4.17Å; F186-L190 WeakPolarHBondContact O-CB 3.42Å; F186-L190 PolarHBondContact O-N 2.99Å
187F91.4Very high89.2Confident99 Ų9942.5 Ų42.543%0.43422%0.218SC..Hα-helixtrans-66.7-33.3178.9-75.8-68.1000112.5F154 V183 L190 I191F154-F187 HydrophobicContact CE2-CB 3.74Å; F154-F187 HydrophobicContact CZ-CB 4.41Å; V183-F187 HydrophobicContact CG1-CD2 3.82Å; V183-F187 HydrophobicContact CG1-CE2 3.75Å; V183-F187 VanDerWaalsContact O-CD2 3.27Å; V183-F187 WeakPolarHBondContact O-CD2 3.27Å; V183-F187 PolarHBondContact O-N 3.21Å; V183-F187 VanDerWaalsContact O-N 3.1Å; F187-L190 HydrophobicContact CD1-CD2 4.29Å; F187-L190 PolarHBondContact O-N 3.41Å; F187-I191 WeakPolarHBondContact O-CB 3.44Å; F187-I191 WeakPolarHBondContact O-CG1 3.13Å; F187-I191 PolarHBondContact O-N 3.41Å
188S90.8Very high89.2Confident0 Ų045.8 Ų45.80%023%0.232CC..Hα-helixtrans-64.3-42174.8170.50000111.6L157 L158 R161 Q184 F185 F186 G192L157-S188 WeakPolarHBondContact CB-OG 3.49Å; L158-S188 PolarHBondContact N-OG 3.33Å; R161-S188 WeakPolarHBondContact CD-O 3.42Å; R161-S188 PolarHBondContact NE-OG 3.24Å; Q184-S188 WeakPolarHBondContact O-CB 3.34Å; Q184-S188 PolarHBondContact O-N 3.41Å; F185-S188 WeakPolarHBondContact O-CB 3.38Å; F185-S188 PolarHBondContact O-N 3.28Å; F186-S188 VanDerWaalsContact C-N 3.3Å; F186-S188 PolarHBondContact O-N 3.07Å; S188-G192 VanDerWaalsContact O-CA 3.28Å; S188-G192 WeakPolarHBondContact O-CA 3.47Å; S188-G192 PolarHBondContact O-N 2.91Å
189V91.6Very high89.2Confident1 Ų146.9 Ų46.91%0.00624%0.237CC..Hα-helixtrans-63.5-49.7173.61800000110T112 A116 F185 F186 I191 L193T112-V189 HydrophobicContact CG2-CG1 4.04Å; A116-V189 HydrophobicContact CB-CB 4.45Å; A116-V189 HydrophobicContact CB-CG1 3.83Å; A116-V189 HydrophobicContact CB-CG2 3.85Å; F185-V189 HydrophobicContact CD1-CG2 4.25Å; F185-V189 HydrophobicContact CE1-CG2 3.87Å; F185-V189 HydrophobicContact CE2-CG2 4.23Å; F185-V189 HydrophobicContact CZ-CG2 3.86Å; F185-V189 VanDerWaalsContact O-CG2 3.25Å; F185-V189 WeakPolarHBondContact O-CG2 3.41Å; F185-V189 PolarHBondContact O-N 3.03Å; F186-V189 PolarHBondContact O-N 3.17Å; V189-I191 VanDerWaalsContact C-N 3.34Å; V189-I191 PolarHBondContact O-N 3Å; V189-L193 HydrophobicContact CG1-CD1 3.83Å; V189-L193 WeakPolarHBondContact O-CB 3.37Å; V189-L193 PolarHBondContact O-N 2.91Å; V189-L193 VanDerWaalsContact O-N 3.13Å
190L91.9Very high89.1Confident45 Ų4544.5 Ų44.524%0.23623%0.226CC..Hα-helixtrans-59-45.3-174.5-176.567000111.8C109 S113 F186 F187 I194C109-L190 HydrophobicContact CB-CD1 4.06Å; S113-L190 VanDerWaalsContact OG-CA 3.23Å; S113-L190 WeakPolarHBondContact OG-CA 3.5Å; S113-L190 WeakPolarHBondContact OG-CB 3.27Å; S113-L190 WeakPolarHBondContact OG-CD1 3.47Å; S113-L190 PolarHBondContact OG-N 2.97Å; F186-L190 HydrophobicContact CE1-CD2 4.17Å; F186-L190 WeakPolarHBondContact O-CB 3.42Å; F186-L190 PolarHBondContact O-N 2.99Å; F187-L190 HydrophobicContact CD1-CD2 4.29Å; F187-L190 PolarHBondContact O-N 3.41Å; L190-I194 WeakPolarHBondContact O-CG1 3.31Å
191I89.6Confident89.2Confident77 Ų7744.4 Ų44.440%0.39523%0.225SC..Hα-helixtrans-86.9-42.6-176.8-60.9169.3000111F154 L158 F187 V189 L193 I194F154-I191 HydrophobicContact CZ-CD1 4.21Å; L158-I191 HydrophobicContact CD1-CB 4.06Å; L158-I191 HydrophobicContact CD1-CG2 3.86Å; F187-I191 WeakPolarHBondContact O-CB 3.44Å; F187-I191 WeakPolarHBondContact O-CG1 3.13Å; F187-I191 PolarHBondContact O-N 3.41Å; V189-I191 VanDerWaalsContact C-N 3.34Å; V189-I191 PolarHBondContact O-N 3Å; I191-L193 VanDerWaalsContact C-N 3.28Å; I191-L193 PolarHBondContact O-N 3.38Å; I191-I194 WeakPolarHBondContact O-CG1 3.37Å; I191-I194 PolarHBondContact O-N 3.28Å
192G87.4Confident89Confident2 Ų245.2 Ų45.22%0.02123%0.225CC..Hα-helixtrans-68.4-25-174.500000114.2L162 S188L162-G192 WeakPolarHBondContact CD2-O 3.34Å; S188-G192 VanDerWaalsContact O-CA 3.28Å; S188-G192 WeakPolarHBondContact O-CA 3.47Å; S188-G192 PolarHBondContact O-N 2.91Å
193L88.8Confident88.6Confident4 Ų443.3 Ų43.32%0.02122%0.217CC..THydrogen-bonded Turntrans-100.21.3179-62.1178.7000114T112 R161 N168 V189 I191 Y196 N197T112-L193 HydrophobicContact CG2-CD1 3.45Å; T112-L193 VanDerWaalsContact CG2-CD1 3.45Å; R161-L193 HydrophobicContact CB-CD2 4.31Å; N168-L193 WeakPolarHBondContact ND2-CD2 3.48Å; V189-L193 HydrophobicContact CG1-CD1 3.83Å; V189-L193 WeakPolarHBondContact O-CB 3.37Å; V189-L193 PolarHBondContact O-N 2.91Å; V189-L193 VanDerWaalsContact O-N 3.13Å; I191-L193 VanDerWaalsContact C-N 3.28Å; I191-L193 PolarHBondContact O-N 3.38Å; L193-Y196 PolarHBondContact O-N 2.87Å; L193-N197 VanDerWaalsContact O-CB 3.3Å; L193-N197 WeakPolarHBondContact O-CB 3.37Å; L193-N197 PolarHBondContact O-N 3.17Å
194I89.4Confident88.2Confident70 Ų7038.9 Ų38.936%0.35919%0.19SC..Hα-helixtrans-54.9-50.1175.1-58.7-180000111.5L105 L190 I191 Y196 N197 F198L105-I194 HydrophobicContact CD1-CG2 4.47Å; L190-I194 WeakPolarHBondContact O-CG1 3.31Å; I191-I194 WeakPolarHBondContact O-CG1 3.37Å; I191-I194 PolarHBondContact O-N 3.28Å; I194-Y196 VanDerWaalsContact C-N 3.31Å; I194-Y196 PolarHBondContact O-N 2.68Å; I194-N197 PolarHBondContact O-N 2.89Å; I194-F198 VanDerWaalsContact O-CB 3.27Å; I194-F198 WeakPolarHBondContact O-CB 3.2Å; I194-F198 PolarHBondContact O-N 3Å
195P87.1Confident87.9Confident63 Ų6337.1 Ų37.141%0.40918%0.184SC..Hα-helixtrans-63.5-40.6-176.5-21.134.3000111.8L162 F198 I199L162-P195 HydrophobicContact CD2-CG 3.78Å; P195-F198 PolarHBondContact O-N 2.9Å; P195-I199 VanDerWaalsContact O-CG1 3.3Å; P195-I199 WeakPolarHBondContact O-CG1 3.41Å; P195-I199 PolarHBondContact O-N 3.4Å
196Y85.6Confident87.4Confident98 Ų9839.4 Ų39.438%0.38420%0.196SC..Hα-helixtrans-63.6-49.8176.6172.9-101.5000112S89 N92 L193 I194 F198 I199 C200S89-Y196 WeakPolarHBondContact CB-OH 3.37Å; N92-Y196 WeakPolarHBondContact ND2-CE1 3.49Å; L193-Y196 PolarHBondContact O-N 2.87Å; I194-Y196 VanDerWaalsContact C-N 3.31Å; I194-Y196 PolarHBondContact O-N 2.68Å; Y196-F198 VanDerWaalsContact C-N 3.29Å; Y196-F198 PolarHBondContact O-N 3.21Å; Y196-I199 PolarHBondContact O-N 2.78Å; Y196-C200 PolarHBondContact O-N 3.01Å; Y196-C200 VanDerWaalsContact O-N 3.1Å; Y196-C200 PolarHBondContact O-SG 3.15Å
197N89.3Confident86.5Confident2 Ų237.4 Ų37.41%0.01119%0.188CC..Hα-helixtrans-62-39.5178.4-76.1-6.4000111.2N92 L105 C108 C109 T112 L193 I194 C200 V201N92-N197 PolarHBondContact ND2-OD1 2.97Å; L105-N197 HydrophobicContact CD1-CB 3.94Å; C108-N197 HydrophobicContact CB-CB 4.29Å; C109-N197 PolarHBondContact N-ND2 3.22Å; T112-N197 PolarHBondContact OG1-ND2 3.26Å; T112-N197 VanDerWaalsContact OG1-ND2 3.08Å; L193-N197 VanDerWaalsContact O-CB 3.3Å; L193-N197 WeakPolarHBondContact O-CB 3.37Å; L193-N197 PolarHBondContact O-N 3.17Å; I194-N197 PolarHBondContact O-N 2.89Å; N197-C200 PolarHBondContact O-N 3.42Å; N197-V201 WeakPolarHBondContact O-CB 3.19Å; N197-V201 WeakPolarHBondContact O-CG2 3.3Å; N197-V201 PolarHBondContact O-N 3.22Å
198F88.3Confident85.6Confident83 Ų8334.8 Ų34.836%0.36418%0.182SC..Hα-helixtrans-60.2-49.2175.9179.2-104.6000111.9L105 I194 P195 Y196 C200 V201 Q202L105-F198 HydrophobicContact CD1-CB 3.95Å; L105-F198 HydrophobicContact CD2-CD2 4.05Å; I194-F198 VanDerWaalsContact O-CB 3.27Å; I194-F198 WeakPolarHBondContact O-CB 3.2Å; I194-F198 PolarHBondContact O-N 3Å; P195-F198 PolarHBondContact O-N 2.9Å; Y196-F198 VanDerWaalsContact C-N 3.29Å; Y196-F198 PolarHBondContact O-N 3.21Å; F198-C200 PolarHBondContact O-N 3.06Å; F198-V201 PolarHBondContact O-N 3.47Å; F198-Q202 WeakPolarHBondContact O-CB 3.27Å; F198-Q202 PolarHBondContact O-N 2.91Å
199I85.7Confident84.5Confident50 Ų5039.4 Ų39.426%0.25621%0.21SC..Hα-helixtrans-57.4-51.6177.7-70165.3000110.4P195 Y196 V201 Q202 T203 I228 A232P195-I199 VanDerWaalsContact O-CG1 3.3Å; P195-I199 WeakPolarHBondContact O-CG1 3.41Å; P195-I199 PolarHBondContact O-N 3.4Å; Y196-I199 PolarHBondContact O-N 2.78Å; I199-V201 PolarHBondContact O-N 3.42Å; I199-Q202 PolarHBondContact O-N 3.36Å; I199-T203 PolarHBondContact O-N 3.3Å; I199-T203 PolarHBondContact O-OG1 3.12Å; I199-I228 HydrophobicContact CG2-CG2 3.64Å; I199-A232 HydrophobicContact CD1-CB 4.5Å
200C84.9Confident83.2Confident15 Ų1540.8 Ų40.810%0.10122%0.218CC..Hα-helixtrans-62-46.1-178.5-67.20000112.7N92 V93 Y196 N197 F198 Q202 T203 G204N92-C200 HydrophobicContact CB-CB 3.47Å; N92-C200 VanDerWaalsContact CB-CB 3.47Å; V93-C200 WeakPolarHBondContact CA-O 3.36Å; V93-C200 HydrophobicContact CG2-CB 4.11Å; Y196-C200 PolarHBondContact O-N 3.01Å; Y196-C200 VanDerWaalsContact O-N 3.1Å; Y196-C200 PolarHBondContact O-SG 3.15Å; N197-C200 PolarHBondContact O-N 3.42Å; F198-C200 PolarHBondContact O-N 3.06Å; C200-Q202 VanDerWaalsContact C-N 3.35Å; C200-T203 WeakPolarHBondContact O-CB 3.18Å; C200-T203 PolarHBondContact O-N 3.41Å; C200-G204 PolarHBondContact O-N 2.82Å
201V88.8Confident81.5Confident1 Ų144.6 Ų44.61%0.00624%0.243CC..Hα-helixtrans-65-41.2179.7164.70000110.7N92 G96 P101 L105 C108 N197 F198 I199 G204 S205N92-V201 VanDerWaalsContact O-CG2 3.31Å; N92-V201 WeakPolarHBondContact O-CG2 3.36Å; G96-V201 WeakPolarHBondContact CA-O 3.35Å; P101-V201 WeakPolarHBondContact O-CG1 3.22Å; L105-V201 HydrophobicContact CB-CG1 4.43Å; C108-V201 HydrophobicContact CB-CG2 4.22Å; N197-V201 WeakPolarHBondContact O-CB 3.19Å; N197-V201 WeakPolarHBondContact O-CG2 3.3Å; N197-V201 PolarHBondContact O-N 3.22Å; F198-V201 PolarHBondContact O-N 3.47Å; I199-V201 PolarHBondContact O-N 3.42Å; V201-G204 PolarHBondContact O-N 2.65Å; V201-S205 PolarHBondContact O-N 3.47Å
202Q85.1Confident79.7Confident58 Ų5843.7 Ų43.727%0.27124%0.243SC..Hα-helixtrans-63.7-43.7177.1-169.663.441.800111.2F198 I199 C200 G204 S205 I206F198-Q202 WeakPolarHBondContact O-CB 3.27Å; F198-Q202 PolarHBondContact O-N 2.91Å; I199-Q202 PolarHBondContact O-N 3.36Å; C200-Q202 VanDerWaalsContact C-N 3.35Å; Q202-G204 VanDerWaalsContact C-N 3.29Å; Q202-G204 PolarHBondContact O-N 3.48Å; Q202-S205 PolarHBondContact O-N 3.32Å; Q202-I206 HydrophobicContact CG-CD1 4.2Å; Q202-I206 WeakPolarHBondContact O-CG1 3.29Å; Q202-I206 PolarHBondContact O-N 3.48Å
203T83.5Confident77.9Confident28 Ų2848.8 Ų48.817%0.17227%0.269CS..Hα-helixtrans-56.7-44.6173.1-600000111.3I199 C200 I206 L207 L225I199-T203 PolarHBondContact O-N 3.3Å; I199-T203 PolarHBondContact O-OG1 3.12Å; C200-T203 WeakPolarHBondContact O-CB 3.18Å; C200-T203 PolarHBondContact O-N 3.41Å; T203-I206 PolarHBondContact O-N 3.1Å; T203-L207 WeakPolarHBondContact O-CB 3.37Å; T203-L207 PolarHBondContact O-N 2.82Å; T203-L225 HydrophobicContact CG2-CD2 3.93Å
204G81.6Confident76.3Confident0 Ų055.2 Ų55.20%030%0.304CS..Hα-helixtrans-64.5-41.8177.500000114.1V93 A97 C200 V201 Q202 I206 L207 S208V93-G204 VanDerWaalsContact CG1-CA 3.44Å; V93-G204 VanDerWaalsContact O-CA 3.27Å; V93-G204 WeakPolarHBondContact O-CA 3.38Å; A97-G204 WeakPolarHBondContact CA-O 3.49Å; A97-G204 WeakPolarHBondContact CB-O 3.42Å; C200-G204 PolarHBondContact O-N 2.82Å; V201-G204 PolarHBondContact O-N 2.65Å; Q202-G204 VanDerWaalsContact C-N 3.29Å; Q202-G204 PolarHBondContact O-N 3.48Å; G204-I206 VanDerWaalsContact C-N 3.35Å; G204-I206 PolarHBondContact O-N 2.85Å; G204-L207 PolarHBondContact O-N 2.83Å; G204-S208 PolarHBondContact O-N 3.33Å
205S82.1Confident74.5Confident20 Ų2053.2 Ų53.214%0.1430%0.298CS..Hα-helixtrans-62-43.6176.3-1750000111.3V201 Q202 S208 T209V201-S205 PolarHBondContact O-N 3.47Å; Q202-S205 PolarHBondContact O-N 3.32Å; S205-S208 PolarHBondContact O-N 3.31Å; S205-S208 PolarHBondContact O-OG 3.48Å; S205-T209 PolarHBondContact O-N 3.05Å
206I80.2Confident72.9Confident47 Ų4752.1 Ų52.124%0.24129%0.288CS..Hα-helixtrans-64.1-45176.7-65.9165.2000110.1Q202 T203 G204 S208 T209 L210 I228Q202-I206 HydrophobicContact CG-CD1 4.2Å; Q202-I206 WeakPolarHBondContact O-CG1 3.29Å; Q202-I206 PolarHBondContact O-N 3.48Å; T203-I206 PolarHBondContact O-N 3.1Å; G204-I206 VanDerWaalsContact C-N 3.35Å; G204-I206 PolarHBondContact O-N 2.85Å; I206-S208 VanDerWaalsContact C-N 3.25Å; I206-S208 PolarHBondContact O-N 2.97Å; I206-T209 PolarHBondContact O-N 3.36Å; I206-T209 PolarHBondContact O-OG1 3.13Å; I206-L210 HydrophobicContact CG2-CD1 4.32Å; I206-I228 HydrophobicContact CD1-CD1 4.02Å
207L74.3Confident71.3Confident22 Ų2255.7 Ų55.712%0.11531%0.306CS..Hα-helixtrans-57-40178.7-175.259.6000112L51 T203 G204 T209 L210 L216L51-L207 HydrophobicContact CD2-CD2 4.32Å; T203-L207 WeakPolarHBondContact O-CB 3.37Å; T203-L207 PolarHBondContact O-N 2.82Å; G204-L207 PolarHBondContact O-N 2.83Å; L207-T209 VanDerWaalsContact C-N 3.26Å; L207-T209 PolarHBondContact O-N 2.84Å; L207-L210 PolarHBondContact O-N 3.36Å; L207-L216 HydrophobicContact CD1-CD1 4.26Å; L207-L216 HydrophobicContact CD1-CD2 3.48Å; L207-L216 VanDerWaalsContact CD1-CD2 3.48Å
208S71.1Confident70.1Confident45 Ų4558 Ų5832%0.31532%0.322SS..Hα-helixtrans-68.8-19.8178.974.50000114.8G204 S205 I206G204-S208 PolarHBondContact O-N 3.33Å; S205-S208 PolarHBondContact O-N 3.31Å; S205-S208 PolarHBondContact O-OG 3.48Å; I206-S208 VanDerWaalsContact C-N 3.25Å; I206-S208 PolarHBondContact O-N 2.97Å
209T68.1Low69.2Low97 Ų9763.5 Ų63.560%0.59534%0.34SS*.Hα-helixtrans-89.2-10.2178.753.90000113.6S205 I206 L207 T211S205-T209 PolarHBondContact O-N 3.05Å; I206-T209 PolarHBondContact O-N 3.36Å; I206-T209 PolarHBondContact O-OG1 3.13Å; L207-T209 VanDerWaalsContact C-N 3.26Å; L207-T209 PolarHBondContact O-N 2.84Å; T209-T211 PolarHBondContact O-N 3.09Å
210L64.5Low68.2Low30 Ų3065.4 Ų65.416%0.15735%0.351CS..  trans-91.599.3-178-64.9172.6000110.3R52 I206 L207 S212 L216 T221R52-L210 PolarHBondContact NH1-O 3.21Å; R52-L210 VanDerWaalsContact NH1-O 3.13Å; R52-L210 PolarHBondContact NH2-O 3.48Å; I206-L210 HydrophobicContact CG2-CD1 4.32Å; L207-L210 PolarHBondContact O-N 3.36Å; L210-S212 VanDerWaalsContact C-N 3.29Å; L210-S212 PolarHBondContact O-N 2.74Å; L210-L216 HydrophobicContact CB-CD2 4.21Å; L210-L216 HydrophobicContact CD1-CD2 3.49Å; L210-L216 VanDerWaalsContact CD1-CD2 3.49Å; L210-L216 HydrophobicContact CD1-CG 4.49Å; L210-T221 HydrophobicContact CD1-CG2 3.42Å; L210-T221 VanDerWaalsContact CD1-CG2 3.42Å
211T55.4Low67.3Low125 Ų12565.2 Ų65.277%0.76735%0.35SS*.  trans-68.9-19.2-167.6-27.50000114.2R52 T209R52-T211 PolarHBondContact NH2-O 3.31Å; T209-T211 PolarHBondContact O-N 3.09Å
212S51.7Low66.3Low57 Ų5768 Ų6840%0.39937%0.367SS..SBendtrans-136.6144.3-174.234.20000112.9L210 D214 A215 L216L210-S212 VanDerWaalsContact C-N 3.29Å; L210-S212 PolarHBondContact O-N 2.74Å; S212-D214 PolarHBondContact O-N 3.38Å; S212-A215 WeakPolarHBondContact O-CB 3.36Å; S212-A215 PolarHBondContact O-N 2.86Å; S212-L216 PolarHBondContact O-N 2.82Å
213L51.2Low65.8Low109 Ų10971.4 Ų71.457%0.57138%0.381SS*.Hα-helixtrans-60.9-30.3176.9-67.6177.9000112A215 L216 F217L213-A215 VanDerWaalsContact C-N 3.28Å; L213-A215 PolarHBondContact O-N 3.12Å; L213-L216 HydrophobicContact CD2-CD1 3.78Å; L213-L216 WeakPolarHBondContact O-CB 3.4Å; L213-L216 PolarHBondContact O-N 3.38Å; L213-L216 VanDerWaalsContact O-N 3.12Å; L213-F217 PolarHBondContact O-N 3.12Å
214D53.6Low65.2Low140 Ų14075.4 Ų75.475%0.74940%0.396SS*.Hα-helixtrans-65.9-29.5172.7-66.2-44.9000112.9S212 L216 F217 S218S212-D214 PolarHBondContact O-N 3.38Å; D214-L216 VanDerWaalsContact C-N 3.29Å; D214-L216 PolarHBondContact O-N 2.85Å; D214-F217 PolarHBondContact O-N 3.08Å; D214-S218 PolarHBondContact O-N 3.41Å; D214-S218 VanDerWaalsContact O-N 3.09Å
215A52.5Low64.5Low28 Ų2878.8 Ų78.823%0.23141%0.413CS..Hα-helixtrans-78.7-11.5174.900000113.1S212 L213 S218 T221S212-A215 WeakPolarHBondContact O-CB 3.36Å; S212-A215 PolarHBondContact O-N 2.86Å; L213-A215 VanDerWaalsContact C-N 3.28Å; L213-A215 PolarHBondContact O-N 3.12Å; A215-S218 VanDerWaalsContact O-CB 3.32Å; A215-S218 WeakPolarHBondContact O-CB 3.33Å; A215-T221 VanDerWaalsContact O-CB 3.28Å; A215-T221 WeakPolarHBondContact O-CB 3.34Å; A215-T221 PolarHBondContact O-OG1 3.01Å
216L52.7Low64.1Low39 Ų3982.1 Ų82.120%0.20443%0.429CS..Hα-helixtrans-79.4-34.9169.6-69.3168.5000112L207 L210 S212 L213 D214 S218 T221 V222L207-L216 HydrophobicContact CD1-CD1 4.26Å; L207-L216 HydrophobicContact CD1-CD2 3.48Å; L207-L216 VanDerWaalsContact CD1-CD2 3.48Å; L210-L216 HydrophobicContact CB-CD2 4.21Å; L210-L216 HydrophobicContact CD1-CD2 3.49Å; L210-L216 VanDerWaalsContact CD1-CD2 3.49Å; L210-L216 HydrophobicContact CD1-CG 4.49Å; S212-L216 PolarHBondContact O-N 2.82Å; L213-L216 HydrophobicContact CD2-CD1 3.78Å; L213-L216 WeakPolarHBondContact O-CB 3.4Å; L213-L216 PolarHBondContact O-N 3.38Å; L213-L216 VanDerWaalsContact O-N 3.12Å; D214-L216 VanDerWaalsContact C-N 3.29Å; D214-L216 PolarHBondContact O-N 2.85Å; L216-S218 VanDerWaalsContact C-N 3.32Å; L216-T221 HydrophobicContact CD2-CG2 4.35Å; L216-V222 WeakPolarHBondContact O-CG2 3.44Å
217F53.4Low63.8Low174 Ų17482.4 Ų82.476%0.76344%0.439SS*.SBendtrans-85.2-3.4171.7-74.7-77.2000113.6L213 D214 W219L213-F217 PolarHBondContact O-N 3.12Å; D214-F217 PolarHBondContact O-N 3.08Å; F217-W219 PolarHBondContact O-N 3.07Å
218S64Low63.5Low49 Ų4983.4 Ų83.434%0.34344%0.444SS..SBendtrans-52.9128.5166.2164.80000109.8D214 A215 L216 D220 T221 V222D214-S218 PolarHBondContact O-N 3.41Å; D214-S218 VanDerWaalsContact O-N 3.09Å; A215-S218 VanDerWaalsContact O-CB 3.32Å; A215-S218 WeakPolarHBondContact O-CB 3.33Å; L216-S218 VanDerWaalsContact C-N 3.32Å; S218-D220 PolarHBondContact O-N 3.49Å; S218-D220 VanDerWaalsContact O-N 3.1Å; S218-D220 PolarHBondContact OG-N 2.81Å; S218-T221 PolarHBondContact O-N 3.17Å; S218-V222 PolarHBondContact O-N 3.19Å
219W67.8Low63.2Low199 Ų19983.3 Ų83.375%0.75445%0.446SS*.Hα-helixtrans-49.8-38.4178.6-72.299000112.2F217 T221 V222 F223F217-W219 PolarHBondContact O-N 3.07Å; W219-T221 PolarHBondContact O-N 3.44Å; W219-V222 PolarHBondContact O-N 3.37Å; W219-F223 HydrophobicContact CB-CD2 4.46Å; W219-F223 HydrophobicContact CE3-CE2 4.13Å; W219-F223 WeakPolarHBondContact O-CB 3.3Å; W219-F223 WeakPolarHBondContact O-CD2 3.28Å; W219-F223 PolarHBondContact O-N 3.11Å
220D66.6Low63.2Low90 Ų9083.9 Ų83.948%0.48144%0.443SS..Hα-helixtrans-65.2-40.8-179.7-167.776.6000112.8S218 F223 K224S218-D220 PolarHBondContact O-N 3.49Å; S218-D220 VanDerWaalsContact O-N 3.1Å; S218-D220 PolarHBondContact OG-N 2.81Å; D220-F223 PolarHBondContact O-N 2.73Å; D220-K224 WeakPolarHBondContact O-CG 3.48Å; D220-K224 PolarHBondContact O-N 3.39Å; D220-K224 VanDerWaalsContact OD2-CE 3.28Å; D220-K224 WeakPolarHBondContact OD2-CE 3.37Å; D220-K224 IonicContact OD2-NZ 3.49Å; D220-K224 PolarHBondContact OD2-NZ 2.89Å
221T64.1Low63.5Low11 Ų1186.7 Ų86.77%0.06746%0.461CS..Hα-helixtrans-70.4-43.5176.6-620000111.2L210 A215 L216 S218 W219 F223 K224 L225L210-T221 HydrophobicContact CD1-CG2 3.42Å; L210-T221 VanDerWaalsContact CD1-CG2 3.42Å; A215-T221 VanDerWaalsContact O-CB 3.28Å; A215-T221 WeakPolarHBondContact O-CB 3.34Å; A215-T221 PolarHBondContact O-OG1 3.01Å; L216-T221 HydrophobicContact CD2-CG2 4.35Å; S218-T221 PolarHBondContact O-N 3.17Å; W219-T221 PolarHBondContact O-N 3.44Å; T221-F223 VanDerWaalsContact C-N 3.28Å; T221-F223 PolarHBondContact O-N 3.27Å; T221-K224 PolarHBondContact O-N 3.01Å; T221-L225 HydrophobicContact CG2-CD1 3.81Å; T221-L225 WeakPolarHBondContact O-CB 3.5Å; T221-L225 PolarHBondContact O-N 3.3Å
222V67.9Low63.8Low61 Ų6183 Ų8337%0.3744%0.444SS..Hα-helixtrans-60-42.6174.7175.10000109.7L216 S218 W219 K224 L225 L226L216-V222 WeakPolarHBondContact O-CG2 3.44Å; S218-V222 PolarHBondContact O-N 3.19Å; W219-V222 PolarHBondContact O-N 3.37Å; V222-K224 PolarHBondContact O-N 3.41Å; V222-L225 PolarHBondContact O-N 2.89Å; V222-L226 WeakPolarHBondContact O-CA 3.26Å; V222-L226 WeakPolarHBondContact O-CB 3.36Å; V222-L226 PolarHBondContact O-N 2.82Å
223F74.8Confident64.3Low129 Ų12984.8 Ų84.857%0.56645%0.448SS*.Hα-helixtrans-64.2-39175.4-87.8-66.8000112.7W219 D220 T221 A227W219-F223 HydrophobicContact CB-CD2 4.46Å; W219-F223 HydrophobicContact CE3-CE2 4.13Å; W219-F223 WeakPolarHBondContact O-CB 3.3Å; W219-F223 WeakPolarHBondContact O-CD2 3.28Å; W219-F223 PolarHBondContact O-N 3.11Å; D220-F223 PolarHBondContact O-N 2.73Å; T221-F223 VanDerWaalsContact C-N 3.28Å; T221-F223 PolarHBondContact O-N 3.27Å; F223-A227 WeakPolarHBondContact O-CB 3.33Å; F223-A227 PolarHBondContact O-N 3.4Å
224K70.8Confident65Low111 Ų11183.7 Ų83.748%0.48344%0.442SS..Hα-helixtrans-68.2-45.1176.2-77.2168177.51600112.6D220 T221 V222 A227 I228D220-K224 WeakPolarHBondContact O-CG 3.48Å; D220-K224 PolarHBondContact O-N 3.39Å; D220-K224 VanDerWaalsContact OD2-CE 3.28Å; D220-K224 WeakPolarHBondContact OD2-CE 3.37Å; D220-K224 IonicContact OD2-NZ 3.49Å; D220-K224 PolarHBondContact OD2-NZ 2.89Å; T221-K224 PolarHBondContact O-N 3.01Å; V222-K224 PolarHBondContact O-N 3.41Å; K224-A227 PolarHBondContact O-N 3.28Å; K224-I228 VanDerWaalsContact O-CG1 3.28Å; K224-I228 WeakPolarHBondContact O-CG1 3.46Å; K224-I228 PolarHBondContact O-N 2.94Å
225L68.2Low65.2Low71 Ų7179.2 Ų79.237%0.37242%0.421SS..Hα-helixtrans-65.2-41.3174.7-96.2144.3000111.4T203 T221 V222 I228 A229T203-L225 HydrophobicContact CG2-CD2 3.93Å; T221-L225 HydrophobicContact CG2-CD1 3.81Å; T221-L225 WeakPolarHBondContact O-CB 3.5Å; T221-L225 PolarHBondContact O-N 3.3Å; V222-L225 PolarHBondContact O-N 2.89Å; L225-I228 PolarHBondContact O-N 3.4Å; L225-A229 VanDerWaalsContact O-CB 3.27Å; L225-A229 WeakPolarHBondContact O-CB 3.3Å; L225-A229 PolarHBondContact O-N 3.45Å
226L73.7Confident65.4Low91 Ų9179.5 Ų79.548%0.47643%0.426SS..Hα-helixtrans-65.4-41.6175-173.969.6000110.9V222 I228 A229 M230V222-L226 WeakPolarHBondContact O-CA 3.26Å; V222-L226 WeakPolarHBondContact O-CB 3.36Å; V222-L226 PolarHBondContact O-N 2.82Å; L226-I228 VanDerWaalsContact C-N 3.34Å; L226-I228 PolarHBondContact O-N 3.01Å; L226-A229 PolarHBondContact O-N 3.43Å; L226-M230 HydrophobicContact CD1-CG 4.43Å; L226-M230 HydrophobicContact CG-CG 4.27Å; L226-M230 VanDerWaalsContact O-CB 3.23Å; L226-M230 WeakPolarHBondContact O-CB 3.3Å; L226-M230 WeakPolarHBondContact O-CG 2.93Å; L226-M230 PolarHBondContact O-N 3.48Å
227A72.9Confident65.7Low53 Ų5381.3 Ų81.344%0.43844%0.439SS..Hα-helixtrans-61.7-43.4175.800000111.1F223 K224 M230 V231F223-A227 WeakPolarHBondContact O-CB 3.33Å; F223-A227 PolarHBondContact O-N 3.4Å; K224-A227 PolarHBondContact O-N 3.28Å; A227-M230 PolarHBondContact O-N 3.22Å; A227-V231 WeakPolarHBondContact O-CB 3.44Å; A227-V231 WeakPolarHBondContact O-CG2 3.3Å; A227-V231 PolarHBondContact O-N 3Å
228I67.9Low66.1Low42 Ų4277.3 Ų77.322%0.21543%0.425CS..Hα-helixtrans-66-43.9175.2-67165.3000111I199 I206 K224 L225 L226 M230 V231 A232I199-I228 HydrophobicContact CG2-CG2 3.64Å; I206-I228 HydrophobicContact CD1-CD1 4.02Å; K224-I228 VanDerWaalsContact O-CG1 3.28Å; K224-I228 WeakPolarHBondContact O-CG1 3.46Å; K224-I228 PolarHBondContact O-N 2.94Å; L225-I228 PolarHBondContact O-N 3.4Å; L226-I228 VanDerWaalsContact C-N 3.34Å; L226-I228 PolarHBondContact O-N 3.01Å; I228-M230 VanDerWaalsContact C-N 3.33Å; I228-M230 PolarHBondContact O-N 2.98Å; I228-V231 PolarHBondContact O-N 3.37Å; I228-A232 VanDerWaalsContact O-CB 3.3Å; I228-A232 WeakPolarHBondContact O-CB 3.45Å; I228-A232 PolarHBondContact O-N 2.94Å
229A64.7Low65.7Low44 Ų4476.4 Ų76.436%0.36442%0.416SS..Hα-helixtrans-62.1-41.9177.100000111.3L225 L226 A232 L233L225-A229 VanDerWaalsContact O-CB 3.27Å; L225-A229 WeakPolarHBondContact O-CB 3.3Å; L225-A229 PolarHBondContact O-N 3.45Å; L226-A229 PolarHBondContact O-N 3.43Å; A229-A232 CarbonylContact O-C 3.56Å; A229-A232 PolarHBondContact O-N 3.35Å; A229-L233 VanDerWaalsContact O-CB 3.28Å; A229-L233 WeakPolarHBondContact O-CB 3.3Å; A229-L233 WeakPolarHBondContact O-CD1 3.22Å; A229-L233 WeakPolarHBondContact O-CG 3.18Å; A229-L233 PolarHBondContact O-N 3.05Å
230M68.9Low65.1Low109 Ų10973.8 Ų73.854%0.53741%0.41SS..Hα-helixtrans-63.4-47.9174.7-73.7-67.1-73.700110.4L226 A227 I228 A232 L233 I234L226-M230 HydrophobicContact CD1-CG 4.43Å; L226-M230 HydrophobicContact CG-CG 4.27Å; L226-M230 VanDerWaalsContact O-CB 3.23Å; L226-M230 WeakPolarHBondContact O-CB 3.3Å; L226-M230 WeakPolarHBondContact O-CG 2.93Å; L226-M230 PolarHBondContact O-N 3.48Å; A227-M230 PolarHBondContact O-N 3.22Å; I228-M230 VanDerWaalsContact C-N 3.33Å; I228-M230 PolarHBondContact O-N 2.98Å; M230-A232 VanDerWaalsContact C-N 3.27Å; M230-A232 PolarHBondContact O-N 3.06Å; M230-L233 CarbonylContact O-C 3.48Å; M230-L233 WeakPolarHBondContact O-CA 3.5Å; M230-L233 PolarHBondContact O-N 2.96Å; M230-I234 VanDerWaalsContact O-CG1 3.26Å; M230-I234 WeakPolarHBondContact O-CG1 3.49Å; M230-I234 PolarHBondContact O-N 2.83Å
231V70.8Confident64.6Low88 Ų8877.1 Ų77.153%0.53342%0.42SS..Hα-helixtrans-59.7-37.6174.7170.90000111.9A227 I228 L233 I234 P235A227-V231 WeakPolarHBondContact O-CB 3.44Å; A227-V231 WeakPolarHBondContact O-CG2 3.3Å; A227-V231 PolarHBondContact O-N 3Å; I228-V231 PolarHBondContact O-N 3.37Å; V231-L233 VanDerWaalsContact C-N 3.35Å; V231-I234 HydrophobicContact CG2-CD1 4.39Å; V231-P235 WeakPolarHBondContact O-CD 3.21Å
232A62.3Low64.4Low49 Ų4983.1 Ų83.141%0.40545%0.446SS..Hα-helixtrans-70.8-28.1174.200000113.2I199 I228 A229 M230 P235I199-A232 HydrophobicContact CD1-CB 4.5Å; I228-A232 VanDerWaalsContact O-CB 3.3Å; I228-A232 WeakPolarHBondContact O-CB 3.45Å; I228-A232 PolarHBondContact O-N 2.94Å; A229-A232 CarbonylContact O-C 3.56Å; A229-A232 PolarHBondContact O-N 3.35Å; M230-A232 VanDerWaalsContact C-N 3.27Å; M230-A232 PolarHBondContact O-N 3.06Å; A232-P235 WeakPolarHBondContact O-CD 3.34Å
233L61.3Low63.8Low94 Ų9482.7 Ų82.749%0.49245%0.445SS..Hα-helixtrans-84.7-20.8176.6-83.6155.7000113.3A229 M230 V231 G236 T237A229-L233 VanDerWaalsContact O-CB 3.28Å; A229-L233 WeakPolarHBondContact O-CB 3.3Å; A229-L233 WeakPolarHBondContact O-CD1 3.22Å; A229-L233 WeakPolarHBondContact O-CG 3.18Å; A229-L233 PolarHBondContact O-N 3.05Å; M230-L233 CarbonylContact O-C 3.48Å; M230-L233 WeakPolarHBondContact O-CA 3.5Å; M230-L233 PolarHBondContact O-N 2.96Å; V231-L233 VanDerWaalsContact C-N 3.35Å; L233-G236 PolarHBondContact O-N 3.33Å; L233-G236 VanDerWaalsContact O-N 3.17Å; L233-T237 HydrophobicContact CB-CG2 4.47Å; L233-T237 HydrophobicContact CD2-CG2 4.38Å; L233-T237 WeakPolarHBondContact O-CB 3.4Å; L233-T237 WeakPolarHBondContact O-CG2 3.12Å; L233-T237 PolarHBondContact O-N 2.8Å; L233-T237 PolarHBondContact O-OG1 3.4Å
234I67Low62.9Low85 Ų8581.6 Ų81.644%0.43644%0.442SS..Hα-helixtrans-55.3-48.6178.7-76.6167.9000111.3M230 V231 G236 T237 L238M230-I234 VanDerWaalsContact O-CG1 3.26Å; M230-I234 WeakPolarHBondContact O-CG1 3.49Å; M230-I234 PolarHBondContact O-N 2.83Å; V231-I234 HydrophobicContact CG2-CD1 4.39Å; I234-G236 PolarHBondContact O-N 3.32Å; I234-T237 PolarHBondContact O-OG1 3.47Å; I234-L238 HydrophobicContact CG2-CD1 3.55Å; I234-L238 HydrophobicContact CG2-CG 4.44Å; I234-L238 VanDerWaalsContact O-CB 3.3Å; I234-L238 WeakPolarHBondContact O-CB 3.15Å; I234-L238 WeakPolarHBondContact O-CD1 3.45Å; I234-L238 WeakPolarHBondContact O-CG 3.4Å; I234-L238 PolarHBondContact O-N 3.13Å; I234-L238 VanDerWaalsContact O-N 3.11Å
235P57.6Low62.2Low47 Ų4783 Ų8331%0.30545%0.448SS..Hα-helixtrans-57.7-51.9173.8-22.130.7000111.4V231 A232 T237 I239V231-P235 WeakPolarHBondContact O-CD 3.21Å; A232-P235 WeakPolarHBondContact O-CD 3.34Å; P235-T237 PolarHBondContact O-N 2.8Å; P235-I239 WeakPolarHBondContact O-CB 3.26Å; P235-I239 WeakPolarHBondContact O-CD1 3.27Å; P235-I239 WeakPolarHBondContact O-CG1 3.47Å; P235-I239 PolarHBondContact O-N 3.25Å
236G56Low61.6Low34 Ų3485.8 Ų85.835%0.35146%0.459SS..Hα-helixtrans-63.5-38.9-175.300000114.6L233 I234 K240L233-G236 PolarHBondContact O-N 3.33Å; L233-G236 VanDerWaalsContact O-N 3.17Å; I234-G236 PolarHBondContact O-N 3.32Å; G236-K240 PolarHBondContact O-N 3.29Å
237T60.2Low60.5Low76 Ų7686.7 Ų86.747%0.46646%0.464SS..Hα-helixtrans-80.9-38.3-17654.80000113.2L233 I234 P235 I239 K240 K241L233-T237 HydrophobicContact CB-CG2 4.47Å; L233-T237 HydrophobicContact CD2-CG2 4.38Å; L233-T237 WeakPolarHBondContact O-CB 3.4Å; L233-T237 WeakPolarHBondContact O-CG2 3.12Å; L233-T237 PolarHBondContact O-N 2.8Å; L233-T237 PolarHBondContact O-OG1 3.4Å; I234-T237 PolarHBondContact O-OG1 3.47Å; P235-T237 PolarHBondContact O-N 2.8Å; T237-I239 PolarHBondContact O-N 3.47Å; T237-K240 PolarHBondContact O-N 2.99Å; T237-K241 PolarHBondContact O-N 2.85Å; T237-K241 VanDerWaalsContact O-N 3.12Å
238L60.1Low59.8Low91 Ų9190 Ų9048%0.47647%0.47SS..Hα-helixtrans-58.3-42.2170.3-77.9167.1000110.2I234 K241 F242I234-L238 HydrophobicContact CG2-CD1 3.55Å; I234-L238 HydrophobicContact CG2-CG 4.44Å; I234-L238 VanDerWaalsContact O-CB 3.3Å; I234-L238 WeakPolarHBondContact O-CB 3.15Å; I234-L238 WeakPolarHBondContact O-CD1 3.45Å; I234-L238 WeakPolarHBondContact O-CG 3.4Å; I234-L238 PolarHBondContact O-N 3.13Å; I234-L238 VanDerWaalsContact O-N 3.11Å; L238-K241 WeakPolarHBondContact O-CB 3.46Å; L238-K241 PolarHBondContact O-N 3.44Å; L238-F242 VanDerWaalsContact O-CD2 3.3Å; L238-F242 WeakPolarHBondContact O-CD2 3.23Å; L238-F242 PolarHBondContact O-N 3.3Å
239I55.3Low59.3Low30 Ų3092.7 Ų92.715%0.15448%0.484CS..Hα-helixtrans-70.2-39.3-179.3-63.2159.7000112.3F163 M165 P235 T237 K241 F242 S243F163-I239 HydrophobicContact CB-CD1 4.13Å; F163-I239 HydrophobicContact CD1-CD1 3.64Å; F163-I239 HydrophobicContact CD1-CG1 4.33Å; F163-I239 HydrophobicContact CG-CD1 4.36Å; M165-I239 HydrophobicContact CE-CG2 3.18Å; M165-I239 HydrophobicContact CG-CG2 4.16Å; M165-I239 HydrophobicContact SD-CG2 3.29Å; M165-I239 WeakPolarHBondContact SD-CG2 3.31Å; P235-I239 WeakPolarHBondContact O-CB 3.26Å; P235-I239 WeakPolarHBondContact O-CD1 3.27Å; P235-I239 WeakPolarHBondContact O-CG1 3.47Å; P235-I239 PolarHBondContact O-N 3.25Å; T237-I239 PolarHBondContact O-N 3.47Å; I239-K241 VanDerWaalsContact C-N 3.25Å; I239-K241 PolarHBondContact O-N 2.74Å; I239-F242 PolarHBondContact O-N 3.47Å; I239-S243 VanDerWaalsContact O-CB 3.24Å; I239-S243 WeakPolarHBondContact O-CB 3.41Å; I239-S243 PolarHBondContact O-N 3.38Å
240K55.5Low58.8Low144 Ų14496 Ų9663%0.62650%0.496SS*.Hα-helixtrans-59.8-40.4173.7-164.7178.1-176.8-1790110.9G236 T237 Q244G236-K240 PolarHBondContact O-N 3.29Å; T237-K240 PolarHBondContact O-N 2.99Å; K240-Q244 WeakPolarHBondContact O-CB 3.28Å; K240-Q244 VanDerWaalsContact O-CG 3.31Å; K240-Q244 WeakPolarHBondContact O-CG 3.28Å; K240-Q244 PolarHBondContact O-N 3.04Å
241K57.6Low58.3Low160 Ų16097.4 Ų97.470%0.69650%0.501SS*.Hα-helixtrans-65.2-43.8173.6-88.7-172.8170.3-173.20112.8T237 L238 I239 K245T237-K241 PolarHBondContact O-N 2.85Å; T237-K241 VanDerWaalsContact O-N 3.12Å; L238-K241 WeakPolarHBondContact O-CB 3.46Å; L238-K241 PolarHBondContact O-N 3.44Å; I239-K241 VanDerWaalsContact C-N 3.25Å; I239-K241 PolarHBondContact O-N 2.74Å; K241-K245 VanDerWaalsContact O-CB 3.3Å; K241-K245 WeakPolarHBondContact O-CB 3Å; K241-K245 PolarHBondContact O-N 3.34Å; K241-K245 VanDerWaalsContact O-N 3.08Å
242F58.7Low57.7Low137 Ų13797.1 Ų97.160%0.60150%0.5SS*.Hα-helixtrans-70.6-38.5179.2-91.1-80.3000113.1L238 I239 K245 H246L238-F242 VanDerWaalsContact O-CD2 3.3Å; L238-F242 WeakPolarHBondContact O-CD2 3.23Å; L238-F242 PolarHBondContact O-N 3.3Å; I239-F242 PolarHBondContact O-N 3.47Å; F242-K245 PolarHBondContact O-N 3.47Å; F242-H246 PolarHBondContact O-N 3.49Å
243S55Low57.6Low52 Ų5298.4 Ų98.436%0.36451%0.506SS..Hα-helixtrans-68.1-43.1177.1179.80000111.8I239 K245 H246 L247I239-S243 VanDerWaalsContact O-CB 3.24Å; I239-S243 WeakPolarHBondContact O-CB 3.41Å; I239-S243 PolarHBondContact O-N 3.38Å; S243-K245 VanDerWaalsContact C-N 3.34Å; S243-K245 PolarHBondContact O-N 2.83Å; S243-H246 PolarHBondContact O-N 3.28Å; S243-L247 PolarHBondContact O-N 2.69Å
244Q56.3Low57.4Low106 Ų10697.9 Ų97.950%0.49551%0.507SS..Hα-helixtrans-63.6-38.7173.7-76.7-176-30.800112.2K240 L247 Q248K240-Q244 WeakPolarHBondContact O-CB 3.28Å; K240-Q244 VanDerWaalsContact O-CG 3.31Å; K240-Q244 WeakPolarHBondContact O-CG 3.28Å; K240-Q244 PolarHBondContact O-N 3.04Å; Q244-L247 PolarHBondContact O-N 3.45Å; Q244-Q248 WeakPolarHBondContact O-CG 3.32Å; Q244-Q248 PolarHBondContact O-N 3.09Å
245K55.8Low57.1Low141 Ų14196.5 Ų96.561%0.61351%0.508SS*.Hα-helixtrans-66.9-37.8179.1-157.4174.2-174.7-176.30112.3K241 F242 S243 L249K241-K245 VanDerWaalsContact O-CB 3.3Å; K241-K245 WeakPolarHBondContact O-CB 3Å; K241-K245 PolarHBondContact O-N 3.34Å; K241-K245 VanDerWaalsContact O-N 3.08Å; F242-K245 PolarHBondContact O-N 3.47Å; S243-K245 VanDerWaalsContact C-N 3.34Å; S243-K245 PolarHBondContact O-N 2.83Å; K245-L249 WeakPolarHBondContact O-CD1 3.14Å; K245-L249 VanDerWaalsContact O-CG 3.26Å; K245-L249 WeakPolarHBondContact O-CG 3.4Å; K245-L249 PolarHBondContact O-N 3.45Å; K245-L249 VanDerWaalsContact O-N 3.17Å
246H55.7Low57.1Low129 Ų12999.5 Ų99.560%0.59752%0.522SS*.Hα-helixtrans-72.6-35.1175.1-96.9-80.1000113.7F242 S243 N250F242-H246 PolarHBondContact O-N 3.49Å; S243-H246 PolarHBondContact O-N 3.28Å; H246-N250 PolarHBondContact O-N 3.12Å
247L51.9Low57.1Low109 Ų109105 Ų10557%0.57154%0.538SS*.Hα-helixtrans-65.1-43.2173.9-100.7140.2000111.9S243 Q244 N250 E251S243-L247 PolarHBondContact O-N 2.69Å; Q244-L247 PolarHBondContact O-N 3.45Å; L247-N250 PolarHBondContact O-N 3.41Å; L247-E251 PolarHBondContact O-N 3Å
248Q56.4Low57.1Low124 Ų124106.2 Ų106.258%0.57954%0.54SS*.Hα-helixtrans-68.8-34.8178.1-71.8-177.11.300113.3Q244 T252Q244-Q248 WeakPolarHBondContact O-CG 3.32Å; Q244-Q248 PolarHBondContact O-N 3.09Å; Q248-T252 PolarHBondContact O-N 2.99Å; Q248-T252 VanDerWaalsContact O-N 3.14Å; Q248-T252 PolarHBondContact O-OG1 3.49Å
249L58.5Low56.9Low98 Ų98107.7 Ų107.751%0.51354%0.544SS..Hα-helixtrans-65.6-38.2175.6-76.3164.4000112.1K245 T252 S253K245-L249 WeakPolarHBondContact O-CD1 3.14Å; K245-L249 VanDerWaalsContact O-CG 3.26Å; K245-L249 WeakPolarHBondContact O-CG 3.4Å; K245-L249 PolarHBondContact O-N 3.45Å; K245-L249 VanDerWaalsContact O-N 3.17Å; L249-T252 PolarHBondContact O-N 3.29Å; L249-S253 PolarHBondContact O-N 3.31Å
250N53.4Low57Low114 Ų114110.2 Ų110.261%0.6157%0.565SS**Hα-helixtrans-70.6-38.2177.2-95.8-0.3000113.1H246 L247 T252 T254H246-N250 PolarHBondContact O-N 3.12Å; L247-N250 PolarHBondContact O-N 3.41Å; N250-T252 VanDerWaalsContact C-N 3.34Å; N250-T254 WeakPolarHBondContact O-CB 3.06Å; N250-T254 PolarHBondContact O-N 3.48Å; N250-T254 PolarHBondContact O-OG1 3.1Å
251E58.1Low57Low137 Ų137113.2 Ų113.264%0.6457%0.572SS**Hα-helixtrans-63.7-41.2174.1-77.7-175.7147.200111.6L247 T254 A255L247-E251 PolarHBondContact O-N 3Å; E251-T254 PolarHBondContact O-N 3.02Å; E251-A255 WeakPolarHBondContact O-CB 3.28Å; E251-A255 PolarHBondContact O-N 2.77Å
252T59.7Low56.8Low82 Ų82113.4 Ų113.450%0.50357%0.573SS.*Hα-helixtrans-68.7-41.5-179.6-44.60000112Q248 L249 N250 N256Q248-T252 PolarHBondContact O-N 2.99Å; Q248-T252 VanDerWaalsContact O-N 3.14Å; Q248-T252 PolarHBondContact O-OG1 3.49Å; L249-T252 PolarHBondContact O-N 3.29Å; N250-T252 VanDerWaalsContact C-N 3.34Å; T252-N256 PolarHBondContact O-N 3.48Å; T252-N256 VanDerWaalsContact O-N 3.12Å
253S58.7Low56.6Low77 Ų77112.5 Ų112.554%0.53858%0.575SS.*Hα-helixtrans-65.7-37.3174.3-80.20000112.8L249 H257L249-S253 PolarHBondContact O-N 3.31Å; S253-H257 PolarHBondContact O-N 3.39Å
254T59.1Low56.3Low83 Ų83118.2 Ų118.251%0.50961%0.608SS.*Hα-helixtrans-71.2-38.3178.7-49.50000111.5N250 E251 H257 I258N250-T254 WeakPolarHBondContact O-CB 3.06Å; N250-T254 PolarHBondContact O-N 3.48Å; N250-T254 PolarHBondContact O-OG1 3.1Å; E251-T254 PolarHBondContact O-N 3.02Å; T254-H257 PolarHBondContact O-N 2.75Å; T254-I258 HydrophobicContact CG2-CD1 4.25Å; T254-I258 WeakPolarHBondContact O-CG1 3.38Å; T254-I258 PolarHBondContact O-N 3.41Å
255A59.4Low56.3Low56 Ų56118.9 Ų118.946%0.46361%0.613SS.*Hα-helixtrans-64.1-43.7175.600000112.5E251 H257 I258 H259E251-A255 WeakPolarHBondContact O-CB 3.28Å; E251-A255 PolarHBondContact O-N 2.77Å; A255-H257 VanDerWaalsContact C-N 3.33Å; A255-H257 PolarHBondContact O-N 3.19Å; A255-I258 PolarHBondContact O-N 2.97Å; A255-H259 PolarHBondContact O-N 3.44Å
256N56.9Low56.3Low110 Ų110117.7 Ų117.759%0.58861%0.613SS**Hα-helixtrans-65.5-34.6177.7-77.8-10000112.7T252 I258 S260T252-N256 PolarHBondContact O-N 3.48Å; T252-N256 VanDerWaalsContact O-N 3.12Å; N256-I258 VanDerWaalsContact C-N 3.35Å; N256-S260 PolarHBondContact O-N 2.85Å
257H57.3Low56.3Low149 Ų149117.1 Ų117.169%0.6961%0.614SS**Hα-helixtrans-72.7-26.8179-136.4-57.5000113.4S253 T254 A255S253-H257 PolarHBondContact O-N 3.39Å; T254-H257 PolarHBondContact O-N 2.75Å; A255-H257 VanDerWaalsContact C-N 3.33Å; A255-H257 PolarHBondContact O-N 3.19Å
258I59.3Low56.6Low102 Ų102117.5 Ų117.552%0.52362%0.617SS.*Hα-helixtrans-78.4-36.8176-67168.3000110.9T254 A255 N256 R261T254-I258 HydrophobicContact CG2-CD1 4.25Å; T254-I258 WeakPolarHBondContact O-CG1 3.38Å; T254-I258 PolarHBondContact O-N 3.41Å; A255-I258 PolarHBondContact O-N 2.97Å; N256-I258 VanDerWaalsContact C-N 3.35Å; I258-R261 PolarHBondContact O-N 2.76Å
259H56.4Low56.6Low121 Ų121117.1 Ų117.156%0.5662%0.619SS**Hα-helixtrans-68.4-44.2178.1-157.4-10.8000111.7A255 R261 K262 D263A255-H259 PolarHBondContact O-N 3.44Å; H259-R261 PolarHBondContact O-N 2.83Å; H259-R261 VanDerWaalsContact O-N 3.08Å; H259-K262 PolarHBondContact O-N 3.5Å; H259-K262 VanDerWaalsContact O-N 3.11Å; H259-D263 IonicContact CE1-OD2 3.2Å; H259-D263 PolarHBondContact CE1-OD2 2.68Å; H259-D263 IonicContact ND1-OD2 2.86Å; H259-D263 PolarHBondContact ND1-OD2 3.43Å
260S56.8Low56.5Low84 Ų84118.4 Ų118.459%0.58763%0.626SS**THydrogen-bonded Turntrans-62.3-18.4178.5-173.60000114.3N256 T264N256-S260 PolarHBondContact O-N 2.85Å; S260-T264 PolarHBondContact O-OG1 3.45Å
261R55.2Low56.7Low206 Ų206118.7 Ų118.778%0.77763%0.628SS**THydrogen-bonded Turntrans-93-9-180-154.3-177.7-178.2-177.61113.4I258 H259I258-R261 PolarHBondContact O-N 2.76Å; H259-R261 PolarHBondContact O-N 2.83Å; H259-R261 VanDerWaalsContact O-N 3.08Å
262K54Low56.6Low164 Ų164117.3 Ų117.371%0.71363%0.627SS**THydrogen-bonded Turntrans-93.7-15.8175.8-77.2-176174.6-177.70113.2H259H259-K262 PolarHBondContact O-N 3.5Å; H259-K262 VanDerWaalsContact O-N 3.11Å
263D54.3Low56.3Low118 Ų118120.3 Ų120.363%0.63164%0.637SS**  trans-101.614.6-176.2-55.6-36.5000112.9H259H259-D263 IonicContact CE1-OD2 3.2Å; H259-D263 PolarHBondContact CE1-OD2 2.68Å; H259-D263 IonicContact ND1-OD2 2.86Å; H259-D263 PolarHBondContact ND1-OD2 3.43Å
264T48.7Very low56.1Low173 Ų173124.2 Ų124.2100%1.06165%0.646SS**  trans-125.9017125.90000109.9S260S260-T264 PolarHBondContact O-OG1 3.45Å

Retrieved 264 of 264 residues in 1377 ms (Link to these results)

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