A0A087YBA0_POEFO Loading...

FA complementation group I

AlphaFold DB , UniProt , Accession A0A087YBA0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,253 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
1M66Low73.6Confident122 Ų12296.1 Ų96.160%0.60151%0.508SS*.  0-62.40-69174.483.400112.1E3 T4 L36M1-E3 VanDerWaalsContact C-N 3.33Å; M1-E3 PolarHBondContact O-N 2.8Å; M1-T4 WeakPolarHBondContact O-CB 3.26Å; M1-T4 WeakPolarHBondContact O-CG2 3.35Å; M1-T4 PolarHBondContact O-N 3.46Å; M1-T4 PolarHBondContact O-OG1 3.34Å; M1-L36 HydrophobicContact CB-CD1 4.31Å; M1-L36 HydrophobicContact CG-CD1 3.7Å
2L69.9Low74.3Confident170 Ų17088.4 Ų88.489%0.8947%0.467SS*.G310 helixtrans-50.2-44.7-174.2-67.6167000114.6T4L2-T4 VanDerWaalsContact C-N 3.29Å; L2-T4 PolarHBondContact O-N 2.6Å
3E77.4Confident74.7Confident158 Ų15882.6 Ų82.674%0.73844%0.439SS*.G310 helixtrans-76.4-6-178.5-62.4174.6171.300114.7M1 R5 T6M1-E3 VanDerWaalsContact C-N 3.33Å; M1-E3 PolarHBondContact O-N 2.8Å; E3-R5 PolarHBondContact O-N 2.78Å; E3-R5 VanDerWaalsContact O-N 3.11Å; E3-T6 PolarHBondContact O-N 3.23Å; E3-T6 VanDerWaalsContact O-N 3.12Å; E3-T6 PolarHBondContact O-OG1 2.57Å
4T71.8Confident75.2Confident10 Ų1087.9 Ų87.96%0.06146%0.457CS..G310 helixtrans-63.9-21.6-178.155.20000113.4M1 L2 T6 L36 T39 I40M1-T4 WeakPolarHBondContact O-CB 3.26Å; M1-T4 WeakPolarHBondContact O-CG2 3.35Å; M1-T4 PolarHBondContact O-N 3.46Å; M1-T4 PolarHBondContact O-OG1 3.34Å; L2-T4 VanDerWaalsContact C-N 3.29Å; L2-T4 PolarHBondContact O-N 2.6Å; T4-T6 VanDerWaalsContact C-N 3.3Å; T4-T6 PolarHBondContact O-N 3.44Å; T4-L36 HydrophobicContact CG2-CD1 3.75Å; T4-L36 HydrophobicContact CG2-CG 4.35Å; T4-T39 WeakPolarHBondContact OG1-CG2 3.31Å; T4-I40 HydrophobicContact CG2-CG1 4.37Å
5R66.3Low75.7Confident218 Ų21885.7 Ų85.782%0.82345%0.446SS*.G310 helixtrans-75.2-11.8177.6-64-176.2179-177.4-0.4114.2E3E3-R5 PolarHBondContact O-N 2.78Å; E3-R5 VanDerWaalsContact O-N 3.11Å
6T72.5Confident76.2Confident122 Ų12280.4 Ų80.475%0.74842%0.418SS*.G310 helixtrans-99.90.1178.359.90000113.3E3 T4E3-T6 PolarHBondContact O-N 3.23Å; E3-T6 VanDerWaalsContact O-N 3.12Å; E3-T6 PolarHBondContact O-OG1 2.57Å; T4-T6 VanDerWaalsContact C-N 3.3Å; T4-T6 PolarHBondContact O-N 3.44Å
7L76.6Confident76.6Confident71 Ų7177.3 Ų77.337%0.37241%0.407SS..SBendtrans-80.1142.5178.5-65.3174.3000111.7L12 L15L7-L12 HydrophobicContact CB-CD1 4.41Å; L7-L12 HydrophobicContact CB-CD2 3.86Å; L7-L12 HydrophobicContact CB-CG 3.78Å; L7-L12 HydrophobicContact CD1-CD2 3.83Å; L7-L12 HydrophobicContact CG-CD2 4.48Å; L7-L15 HydrophobicContact CD1-CD1 4.48Å
8S79.1Confident77Confident60 Ų6079.8 Ų79.842%0.4242%0.42SS..  trans-65.9150.317372.70000111.6S10 S11 L12S8-S10 PolarHBondContact O-N 2.95Å; S8-S10 PolarHBondContact OG-OG 3.35Å; S8-S11 WeakPolarHBondContact O-CA 3.48Å; S8-S11 WeakPolarHBondContact O-CB 3.32Å; S8-S11 PolarHBondContact O-N 3.1Å; S8-S11 WeakPolarHBondContact OG-CB 3.42Å; S8-S11 PolarHBondContact OG-N 3.34Å; S8-S11 PolarHBondContact OG-OG 3.24Å; S8-L12 PolarHBondContact O-N 2.97Å
9G75.1Confident77.3Confident15 Ų1577.3 Ų77.316%0.15541%0.405CS..Hα-helixtrans-54-36.9177.300000113.8L12 A13 L50G9-L12 PolarHBondContact O-N 2.82Å; G9-A13 VanDerWaalsContact O-CB 3.29Å; G9-A13 WeakPolarHBondContact O-CB 3.43Å; G9-A13 PolarHBondContact O-N 3.27Å; G9-L50 VanDerWaalsContact C-CD2 3.5Å; G9-L50 VanDerWaalsContact CA-CD2 3.47Å
10S75.6Confident77.6Confident59 Ų5973.6 Ų73.641%0.41339%0.386SS..Hα-helixtrans-69.4-31.3175.462.80000113.6S8 K14S8-S10 PolarHBondContact O-N 2.95Å; S8-S10 PolarHBondContact OG-OG 3.35Å; S10-K14 WeakPolarHBondContact O-CG 3.27Å; S10-K14 PolarHBondContact O-N 3.47Å
11S79.7Confident77.8Confident52 Ų5274 Ų7436%0.36439%0.388SS..Hα-helixtrans-72.6-45.3174-55.60000110.8S8 A13 K14 L15S8-S11 WeakPolarHBondContact O-CA 3.48Å; S8-S11 WeakPolarHBondContact O-CB 3.32Å; S8-S11 PolarHBondContact O-N 3.1Å; S8-S11 WeakPolarHBondContact OG-CB 3.42Å; S8-S11 PolarHBondContact OG-N 3.34Å; S8-S11 PolarHBondContact OG-OG 3.24Å; S11-A13 VanDerWaalsContact C-N 3.31Å; S11-A13 PolarHBondContact O-N 2.72Å; S11-K14 PolarHBondContact O-N 3.46Å; S11-L15 VanDerWaalsContact O-CB 3.28Å; S11-L15 WeakPolarHBondContact O-CB 3.43Å; S11-L15 PolarHBondContact O-N 3.49Å
12L81.4Confident78.5Confident4 Ų469.5 Ų69.52%0.02137%0.371CS..Hα-helixtrans-59.6-41.3174.8-70.4168.4000111.7L7 S8 G9 L15 A16 I40 A43 L44L7-L12 HydrophobicContact CB-CD1 4.41Å; L7-L12 HydrophobicContact CB-CD2 3.86Å; L7-L12 HydrophobicContact CB-CG 3.78Å; L7-L12 HydrophobicContact CD1-CD2 3.83Å; L7-L12 HydrophobicContact CG-CD2 4.48Å; S8-L12 PolarHBondContact O-N 2.97Å; G9-L12 PolarHBondContact O-N 2.82Å; L12-L15 PolarHBondContact O-N 2.95Å; L12-A16 WeakPolarHBondContact O-CB 3.39Å; L12-A16 PolarHBondContact O-N 2.91Å; L12-I40 HydrophobicContact CD2-CG2 4.15Å; L12-A43 HydrophobicContact CD1-CB 3.81Å; L12-A43 HydrophobicContact CD2-CB 4.33Å; L12-L44 HydrophobicContact CB-CD1 4.45Å; L12-L44 HydrophobicContact CB-CD2 3.56Å; L12-L44 HydrophobicContact CB-CG 3.78Å
13A79.3Confident78.9Confident13 Ų1361.8 Ų61.811%0.10733%0.33CS..Hα-helixtrans-64-46.1-179.700000112.3G9 S11 L15 A16 A17 L44 Y62G9-A13 VanDerWaalsContact O-CB 3.29Å; G9-A13 WeakPolarHBondContact O-CB 3.43Å; G9-A13 PolarHBondContact O-N 3.27Å; S11-A13 VanDerWaalsContact C-N 3.31Å; S11-A13 PolarHBondContact O-N 2.72Å; A13-L15 VanDerWaalsContact C-N 3.34Å; A13-L15 PolarHBondContact O-N 3.41Å; A13-A16 PolarHBondContact O-N 2.94Å; A13-A17 PolarHBondContact O-N 2.93Å; A13-L44 HydrophobicContact CB-CD2 4.26Å; A13-Y62 HydrophobicContact CB-CD1 4.13Å; A13-Y62 HydrophobicContact CB-CE1 3.47Å; A13-Y62 VanDerWaalsContact CB-CE1 3.47Å
14K82.1Confident79Confident157 Ų15758.6 Ų58.668%0.68331%0.314SS*.Hα-helixtrans-61.2-43.2173.8-72.9174.4179.3178.30111.9S10 S11 A17 L18S10-K14 WeakPolarHBondContact O-CG 3.27Å; S10-K14 PolarHBondContact O-N 3.47Å; S11-K14 PolarHBondContact O-N 3.46Å; K14-A17 PolarHBondContact O-N 3.22Å; K14-L18 WeakPolarHBondContact O-CG 3.42Å; K14-L18 PolarHBondContact O-N 3.3Å
15L83.6Confident79.2Confident55 Ų5560.9 Ų60.929%0.28833%0.334SS..Hα-helixtrans-68.5-38.1-177.4-162.3156.2000111.2L7 S11 L12 A13 L18 F19 I40L7-L15 HydrophobicContact CD1-CD1 4.48Å; S11-L15 VanDerWaalsContact O-CB 3.28Å; S11-L15 WeakPolarHBondContact O-CB 3.43Å; S11-L15 PolarHBondContact O-N 3.49Å; L12-L15 PolarHBondContact O-N 2.95Å; A13-L15 VanDerWaalsContact C-N 3.34Å; A13-L15 PolarHBondContact O-N 3.41Å; L15-L18 PolarHBondContact O-N 3.37Å; L15-F19 HydrophobicContact CD2-CD2 3.93Å; L15-F19 HydrophobicContact CD2-CE2 3.64Å; L15-F19 WeakPolarHBondContact O-CD2 2.76Å; L15-F19 PolarHBondContact O-N 2.9Å; L15-I40 HydrophobicContact CD2-CD1 3.22Å; L15-I40 HydrophobicContact CD2-CG1 4.02Å
16A83.2Confident79.3Confident0 Ų052.2 Ų52.20%031%0.313CS..Hα-helixtrans-66.7-38.5171.800000113L12 A13 F19 V20 F37 I40 L44 L66L12-A16 WeakPolarHBondContact O-CB 3.39Å; L12-A16 PolarHBondContact O-N 2.91Å; A13-A16 PolarHBondContact O-N 2.94Å; A16-F19 PolarHBondContact O-N 3.26Å; A16-V20 WeakPolarHBondContact O-CG2 3.39Å; A16-V20 PolarHBondContact O-N 3.18Å; A16-V20 VanDerWaalsContact O-N 3.08Å; A16-F37 HydrophobicContact CB-CE2 4.1Å; A16-I40 HydrophobicContact CB-CG2 3.96Å; A16-L44 HydrophobicContact CB-CD1 3.66Å; A16-L66 HydrophobicContact CB-CD1 3.73Å
17A82.9Confident79Confident28 Ų2854.7 Ų54.723%0.23131%0.313CS..Hα-helixtrans-62-42.5174.300000111.9A13 K14 F19 V20 D21A13-A17 PolarHBondContact O-N 2.93Å; K14-A17 PolarHBondContact O-N 3.22Å; A17-F19 VanDerWaalsContact C-N 3.31Å; A17-F19 PolarHBondContact O-N 3.45Å; A17-V20 PolarHBondContact O-N 3.41Å; A17-V20 VanDerWaalsContact O-N 3.14Å; A17-D21 PolarHBondContact O-N 2.92Å
18L84Confident78.5Confident123 Ų12352.6 Ų52.664%0.64430%0.302SS*.Hα-helixtrans-59-39.1174.8-71.7171.3000112.7K14 L15 A22K14-L18 WeakPolarHBondContact O-CG 3.42Å; K14-L18 PolarHBondContact O-N 3.3Å; L15-L18 PolarHBondContact O-N 3.37Å; L18-A22 VanDerWaalsContact O-CB 3.29Å; L18-A22 WeakPolarHBondContact O-CB 3.41Å; L18-A22 PolarHBondContact O-N 3.34Å
19F82.7Confident77.4Confident31 Ų3153.9 Ų53.914%0.13632%0.324CS..Hα-helixtrans-63.4-46.9172.7-88.3-72.3000112.1L15 A16 A17 D21 A22 I23 M28 S33 L36 F37 I40L15-F19 HydrophobicContact CD2-CD2 3.93Å; L15-F19 HydrophobicContact CD2-CE2 3.64Å; L15-F19 WeakPolarHBondContact O-CD2 2.76Å; L15-F19 PolarHBondContact O-N 2.9Å; A16-F19 PolarHBondContact O-N 3.26Å; A17-F19 VanDerWaalsContact C-N 3.31Å; A17-F19 PolarHBondContact O-N 3.45Å; F19-D21 VanDerWaalsContact C-N 3.31Å; F19-D21 PolarHBondContact O-N 2.99Å; F19-A22 PolarHBondContact O-N 3.49Å; F19-I23 WeakPolarHBondContact O-CD1 3.48Å; F19-I23 VanDerWaalsContact O-CG1 3.23Å; F19-I23 WeakPolarHBondContact O-CG1 3.29Å; F19-I23 PolarHBondContact O-N 3.08Å; F19-M28 HydrophobicContact CD1-CE 3.78Å; F19-M28 HydrophobicContact CE1-CE 3.87Å; F19-S33 WeakPolarHBondContact CE1-O 3.28Å; F19-S33 WeakPolarHBondContact CZ-O 3.35Å; F19-L36 HydrophobicContact CE2-CD2 4.2Å; F19-L36 HydrophobicContact CZ-CB 4.28Å; F19-L36 HydrophobicContact CZ-CD2 4.22Å; F19-F37 HydrophobicContact CB-CD2 3.6Å; F19-F37 HydrophobicContact CB-CE2 3.57Å; F19-F37 HydrophobicContact CB-CG 4.42Å; F19-F37 HydrophobicContact CB-CZ 4.36Å; F19-F37 HydrophobicContact CD1-CD2 4.47Å; F19-F37 AromaticContact CD2-CD2 3.81Å; F19-F37 HydrophobicContact CD2-CD2 3.81Å; F19-F37 HydrophobicContact CD2-CE2 4.45Å; F19-F37 AromaticContact CG-CD2 3.72Å; F19-F37 HydrophobicContact CG-CD2 3.72Å; F19-F37 HydrophobicContact CG-CE2 4.21Å; F19-F37 HydrophobicContact CG-CG 4.39Å; F19-I40 HydrophobicContact CD2-CD1 4.05Å; F19-I40 HydrophobicContact CE2-CD1 3.61Å
20V82.3Confident76.8Confident3 Ų356.5 Ų56.52%0.01834%0.34CS..Hα-helixtrans-61.1-40.5178.6170.90000111.3A16 A17 I23 K24 F37 L66 L70A16-V20 WeakPolarHBondContact O-CG2 3.39Å; A16-V20 PolarHBondContact O-N 3.18Å; A16-V20 VanDerWaalsContact O-N 3.08Å; A17-V20 PolarHBondContact O-N 3.41Å; A17-V20 VanDerWaalsContact O-N 3.14Å; V20-I23 PolarHBondContact O-N 3.45Å; V20-K24 HydrophobicContact CG1-CD 4.24Å; V20-K24 VanDerWaalsContact CG1-CE 3.45Å; V20-K24 VanDerWaalsContact O-CG 3.28Å; V20-K24 WeakPolarHBondContact O-CG 3.18Å; V20-K24 PolarHBondContact O-N 3.43Å; V20-F37 HydrophobicContact CG2-CZ 3.99Å; V20-L66 HydrophobicContact CG2-CD2 4.24Å; V20-L70 HydrophobicContact CG2-CB 4.48Å
21D82.8Confident76.2Confident83 Ų8354.7 Ų54.744%0.44433%0.33SS..Hα-helixtrans-74.5-32.2178.9-66.6-20.7000112.9A17 F19 K24 A25A17-D21 PolarHBondContact O-N 2.92Å; F19-D21 VanDerWaalsContact C-N 3.31Å; F19-D21 PolarHBondContact O-N 2.99Å; D21-K24 PolarHBondContact O-N 3.25Å; D21-K24 IonicContact OD1-NZ 2.65Å; D21-K24 PolarHBondContact OD1-NZ 3.26Å; D21-A25 VanDerWaalsContact O-CB 3.3Å; D21-A25 WeakPolarHBondContact O-CB 3.47Å; D21-A25 PolarHBondContact O-N 3.39Å
22A80.3Confident75.8Confident28 Ų2860.3 Ų60.323%0.23135%0.348CS..Hα-helixtrans-66.8-38.1171.200000112.6L18 F19 A25 G26 K27 M28L18-A22 VanDerWaalsContact O-CB 3.29Å; L18-A22 WeakPolarHBondContact O-CB 3.41Å; L18-A22 PolarHBondContact O-N 3.34Å; F19-A22 PolarHBondContact O-N 3.49Å; A22-A25 PolarHBondContact O-N 3.41Å; A22-G26 PolarHBondContact O-N 2.98Å; A22-K27 PolarHBondContact O-N 3.13Å; A22-M28 HydrophobicContact CB-CG 4.03Å; A22-M28 HydrophobicContact CB-SD 3.58Å; A22-M28 VanDerWaalsContact CB-SD 3.58Å
23I79.5Confident75.4Confident8 Ų862 Ų624%0.04136%0.36CS..Hα-helixtrans-67.2-45.7173.9-63.4159.1000110.5F19 V20 A25 G26 M28 L34 L70 L83F19-I23 WeakPolarHBondContact O-CD1 3.48Å; F19-I23 VanDerWaalsContact O-CG1 3.23Å; F19-I23 WeakPolarHBondContact O-CG1 3.29Å; F19-I23 PolarHBondContact O-N 3.08Å; V20-I23 PolarHBondContact O-N 3.45Å; I23-A25 PolarHBondContact O-N 2.97Å; I23-G26 PolarHBondContact O-N 3.48Å; I23-G26 VanDerWaalsContact O-N 3.13Å; I23-M28 HydrophobicContact CG1-CG 4.02Å; I23-L34 HydrophobicContact CD1-CD2 4Å; I23-L34 HydrophobicContact CG1-CD2 4.27Å; I23-L70 HydrophobicContact CB-CD1 4.11Å; I23-L70 HydrophobicContact CD1-CD1 3.91Å; I23-L70 HydrophobicContact CD1-CD2 4.35Å; I23-L70 HydrophobicContact CG2-CD1 3.69Å; I23-L83 HydrophobicContact CD1-CD2 3.84Å; I23-L83 HydrophobicContact CG1-CD2 4.3Å; I23-L83 HydrophobicContact CG2-CD1 4.09Å; I23-L83 HydrophobicContact CG2-CD2 4.38Å
24K78.8Confident75.3Confident91 Ų9161.5 Ų61.540%0.39636%0.356SS..Hα-helixtrans-56.7-33.3173.8-76.4167.9-171.5161.10113.1V20 D21V20-K24 HydrophobicContact CG1-CD 4.24Å; V20-K24 VanDerWaalsContact CG1-CE 3.45Å; V20-K24 VanDerWaalsContact O-CG 3.28Å; V20-K24 WeakPolarHBondContact O-CG 3.18Å; V20-K24 PolarHBondContact O-N 3.43Å; D21-K24 PolarHBondContact O-N 3.25Å; D21-K24 IonicContact OD1-NZ 2.65Å; D21-K24 PolarHBondContact OD1-NZ 3.26Å
25A75.6Confident75.1Confident57 Ų5759.4 Ų59.447%0.47135%0.349SS..THydrogen-bonded Turntrans-86.8-2.4-178.600000114.4D21 A22 I23 K27D21-A25 VanDerWaalsContact O-CB 3.3Å; D21-A25 WeakPolarHBondContact O-CB 3.47Å; D21-A25 PolarHBondContact O-N 3.39Å; A22-A25 PolarHBondContact O-N 3.41Å; I23-A25 PolarHBondContact O-N 2.97Å; A25-K27 HydrophobicContact CB-CD 4.14Å; A25-K27 HydrophobicContact CB-CG 4.04Å; A25-K27 PolarHBondContact O-N 2.91Å
26G67.9Low75.1Confident37 Ų3759.1 Ų59.138%0.38135%0.347SS..THydrogen-bonded Turntrans66.516.3-177.500000114.6A22 I23 M28A22-G26 PolarHBondContact O-N 2.98Å; I23-G26 PolarHBondContact O-N 3.48Å; I23-G26 VanDerWaalsContact O-N 3.13Å; G26-M28 VanDerWaalsContact C-N 3.31Å; G26-M28 PolarHBondContact O-N 3.29Å
27K67.1Low75.2Confident174 Ų17459.2 Ų59.276%0.75735%0.348SS*.  trans-88.97.9-171.7-66.9-177.1179.8179.10114.2A22 A25 G29A22-K27 PolarHBondContact O-N 3.13Å; A25-K27 HydrophobicContact CB-CD 4.14Å; A25-K27 HydrophobicContact CB-CG 4.04Å; A25-K27 PolarHBondContact O-N 2.91Å; K27-G29 PolarHBondContact O-N 3.05Å; K27-G29 VanDerWaalsContact O-N 3.17Å
28M65.3Low75.3Confident27 Ų2758.2 Ų58.213%0.13334%0.339CS..  trans-91.564-170.2-66.9-64.6-76.500112.5F19 A22 I23 G26 S30 S33 L34F19-M28 HydrophobicContact CD1-CE 3.78Å; F19-M28 HydrophobicContact CE1-CE 3.87Å; A22-M28 HydrophobicContact CB-CG 4.03Å; A22-M28 HydrophobicContact CB-SD 3.58Å; A22-M28 VanDerWaalsContact CB-SD 3.58Å; I23-M28 HydrophobicContact CG1-CG 4.02Å; G26-M28 VanDerWaalsContact C-N 3.31Å; G26-M28 PolarHBondContact O-N 3.29Å; M28-S30 PolarHBondContact O-N 3.48Å; M28-S33 WeakPolarHBondContact CE-OG 3.37Å; M28-L34 HydrophobicContact CE-CD2 3.55Å; M28-L34 HydrophobicContact CE-CG 3.97Å
29G56Low75.3Confident86 Ų8654 Ų5489%0.88732%0.318SS*.  trans-68.78.1-175.400000117.2K27K27-G29 PolarHBondContact O-N 3.05Å; K27-G29 VanDerWaalsContact O-N 3.17Å
30S62.4Low75.4Confident70 Ų7052.6 Ų52.649%0.4931%0.312SS..  trans-152.1128173.667.60000113.8M28 K32 S33M28-S30 PolarHBondContact O-N 3.48Å; S30-K32 VanDerWaalsContact C-N 3.25Å; S30-K32 PolarHBondContact O-N 3.43Å; S30-S33 PolarHBondContact O-N 3.37Å; S30-S33 PolarHBondContact O-OG 2.84Å
31G64.4Low75.5Confident21 Ų2152.4 Ų52.422%0.21631%0.311CS..G310 helixtrans-59.7-29.1-178.800000114.8S33 L34G31-S33 PolarHBondContact O-N 2.97Å; G31-S33 VanDerWaalsContact O-N 3.14Å; G31-L34 WeakPolarHBondContact O-CB 3.35Å; G31-L34 PolarHBondContact O-N 3.44Å
32K70.8Confident75.6Confident170 Ų17051.5 Ų51.574%0.73931%0.308SS*.G310 helixtrans-57.7-29.4178.5-65.5-175.5178.6-178.80113.6S30 L34 E35S30-K32 VanDerWaalsContact C-N 3.25Å; S30-K32 PolarHBondContact O-N 3.43Å; K32-L34 VanDerWaalsContact C-N 3.29Å; K32-L34 PolarHBondContact O-N 3.46Å; K32-E35 PolarHBondContact O-N 3.18Å
33S72.7Confident75.7Confident39 Ų3951 Ų5127%0.27331%0.305SS..G310 helixtrans-67.9-29.6176.263.60000112.6F19 M28 S30 G31F19-S33 WeakPolarHBondContact CE1-O 3.28Å; F19-S33 WeakPolarHBondContact CZ-O 3.35Å; M28-S33 WeakPolarHBondContact CE-OG 3.37Å; S30-S33 PolarHBondContact O-N 3.37Å; S30-S33 PolarHBondContact O-OG 2.84Å; G31-S33 PolarHBondContact O-N 2.97Å; G31-S33 VanDerWaalsContact O-N 3.14Å
34L76.7Confident75.9Confident4 Ų450.7 Ų50.72%0.02130%0.303CS..THydrogen-bonded Turntrans-77-19.8179.9-64.4169.1000113I23 M28 G31 K32 L36 F37 P38 H82 L83 M86I23-L34 HydrophobicContact CD1-CD2 4Å; I23-L34 HydrophobicContact CG1-CD2 4.27Å; M28-L34 HydrophobicContact CE-CD2 3.55Å; M28-L34 HydrophobicContact CE-CG 3.97Å; G31-L34 WeakPolarHBondContact O-CB 3.35Å; G31-L34 PolarHBondContact O-N 3.44Å; K32-L34 VanDerWaalsContact C-N 3.29Å; K32-L34 PolarHBondContact O-N 3.46Å; L34-L36 PolarHBondContact O-N 3.31Å; L34-F37 WeakPolarHBondContact O-CB 3.45Å; L34-F37 PolarHBondContact O-N 3.32Å; L34-P38 WeakPolarHBondContact O-CD 3.48Å; L34-H82 HydrophobicContact CD1-CB 3.98Å; L34-L83 HydrophobicContact CD1-CD2 4.03Å; L34-L83 HydrophobicContact CD1-CG 4.41Å; L34-L83 HydrophobicContact CD2-CD2 4.08Å; L34-M86 HydrophobicContact CB-CB 4.47Å; L34-M86 HydrophobicContact CB-CG 4.29Å; L34-M86 WeakPolarHBondContact O-CG 3.33Å
35E79.4Confident76Confident113 Ų11348 Ų4853%0.52830%0.298SS..THydrogen-bonded Turntrans-62-23.8177.2-64.5172.9-161.400113K32K32-E35 PolarHBondContact O-N 3.18Å
36L83.3Confident76.3Confident49 Ų4949.4 Ų49.426%0.25731%0.31SS..Hα-helixtrans-73-32174.9-164.171.3000112.1M1 T4 F19 L34 T39 I40M1-L36 HydrophobicContact CB-CD1 4.31Å; M1-L36 HydrophobicContact CG-CD1 3.7Å; T4-L36 HydrophobicContact CG2-CD1 3.75Å; T4-L36 HydrophobicContact CG2-CG 4.35Å; F19-L36 HydrophobicContact CE2-CD2 4.2Å; F19-L36 HydrophobicContact CZ-CB 4.28Å; F19-L36 HydrophobicContact CZ-CD2 4.22Å; L34-L36 PolarHBondContact O-N 3.31Å; L36-T39 PolarHBondContact O-N 3.22Å; L36-T39 VanDerWaalsContact O-N 3.16Å; L36-I40 HydrophobicContact CB-CD1 4.22Å; L36-I40 HydrophobicContact CD2-CD1 3.81Å; L36-I40 HydrophobicContact CG-CD1 3.63Å; L36-I40 HydrophobicContact CG-CG1 4.26Å; L36-I40 WeakPolarHBondContact O-CD1 3.36Å; L36-I40 WeakPolarHBondContact O-CG1 3.34Å; L36-I40 PolarHBondContact O-N 3.32Å; L36-I40 VanDerWaalsContact O-N 3.17Å
37F84Confident76.9Confident2 Ų249 Ų491%0.00930%0.3CS..Hα-helixtrans-63.8-40.2-167.8-166.8-124.1000114.2A16 F19 V20 L34 T39 I40 L41 L70 M86A16-F37 HydrophobicContact CB-CE2 4.1Å; F19-F37 HydrophobicContact CB-CD2 3.6Å; F19-F37 HydrophobicContact CB-CE2 3.57Å; F19-F37 HydrophobicContact CB-CG 4.42Å; F19-F37 HydrophobicContact CB-CZ 4.36Å; F19-F37 HydrophobicContact CD1-CD2 4.47Å; F19-F37 AromaticContact CD2-CD2 3.81Å; F19-F37 HydrophobicContact CD2-CD2 3.81Å; F19-F37 HydrophobicContact CD2-CE2 4.45Å; F19-F37 AromaticContact CG-CD2 3.72Å; F19-F37 HydrophobicContact CG-CD2 3.72Å; F19-F37 HydrophobicContact CG-CE2 4.21Å; F19-F37 HydrophobicContact CG-CG 4.39Å; V20-F37 HydrophobicContact CG2-CZ 3.99Å; L34-F37 WeakPolarHBondContact O-CB 3.45Å; L34-F37 PolarHBondContact O-N 3.32Å; F37-T39 VanDerWaalsContact C-N 3.3Å; F37-T39 PolarHBondContact O-N 3.02Å; F37-I40 PolarHBondContact O-N 3.01Å; F37-L41 HydrophobicContact CD1-CD1 3.96Å; F37-L41 HydrophobicContact CD1-CG 4.46Å; F37-L41 HydrophobicContact CD2-CG 4.49Å; F37-L41 HydrophobicContact CE1-CD1 3.65Å; F37-L41 HydrophobicContact CE1-CG 4.26Å; F37-L41 HydrophobicContact CE2-CD2 4.23Å; F37-L41 HydrophobicContact CE2-CG 4.27Å; F37-L41 HydrophobicContact CZ-CD1 3.97Å; F37-L41 HydrophobicContact CZ-CD2 4.08Å; F37-L41 HydrophobicContact CZ-CG 4.15Å; F37-L41 WeakPolarHBondContact O-CG 3.36Å; F37-L41 PolarHBondContact O-N 3.44Å; F37-L70 HydrophobicContact CE1-CD2 3.96Å; F37-L70 HydrophobicContact CZ-CD2 4.47Å; F37-M86 HydrophobicContact CB-CG 4.49Å; F37-M86 HydrophobicContact CB-SD 4.49Å; F37-M86 HydrophobicContact CD1-CE 3.77Å; F37-M86 HydrophobicContact CD1-SD 3.69Å; F37-M86 HydrophobicContact CE1-CE 4.17Å
38P85.9Confident77.1Confident7 Ų745.4 Ų45.45%0.04530%0.303CS..Hα-helixtrans-60.9-37.5173.2-24.233.4000113.5L34 I40 L41 T42 M86 D89 V90L34-P38 WeakPolarHBondContact O-CD 3.48Å; P38-I40 VanDerWaalsContact C-N 3.34Å; P38-L41 PolarHBondContact O-N 2.91Å; P38-T42 VanDerWaalsContact O-CB 3.32Å; P38-T42 WeakPolarHBondContact O-CB 3.21Å; P38-T42 PolarHBondContact O-N 3.38Å; P38-T42 PolarHBondContact O-OG1 3.46Å; P38-M86 HydrophobicContact CG-CG 3.62Å; P38-M86 WeakPolarHBondContact CG-O 3.47Å; P38-M86 HydrophobicContact CG-SD 3.77Å; P38-D89 HydrophobicContact CB-CB 4.04Å; P38-D89 HydrophobicContact CG-CB 4.18Å; P38-V90 HydrophobicContact CB-CG2 3.84Å; P38-V90 HydrophobicContact CG-CG2 4.02Å
39T84.4Confident77.4Confident35 Ų3547 Ų4722%0.21532%0.32CS..Hα-helixtrans-67.8-38.9178.8-41.80000110.5T4 L36 F37 A43T4-T39 WeakPolarHBondContact OG1-CG2 3.31Å; L36-T39 PolarHBondContact O-N 3.22Å; L36-T39 VanDerWaalsContact O-N 3.16Å; F37-T39 VanDerWaalsContact C-N 3.3Å; F37-T39 PolarHBondContact O-N 3.02Å; T39-A43 WeakPolarHBondContact O-CB 3.21Å; T39-A43 PolarHBondContact O-N 3.48Å
40I83.9Confident78.4Confident0 Ų043.4 Ų43.40%028%0.281CS..Hα-helixtrans-65.4-48.6175.5-64.1153.6000111.2T4 L12 L15 A16 F19 L36 F37 P38 T42 A43 L44T4-I40 HydrophobicContact CG2-CG1 4.37Å; L12-I40 HydrophobicContact CD2-CG2 4.15Å; L15-I40 HydrophobicContact CD2-CD1 3.22Å; L15-I40 HydrophobicContact CD2-CG1 4.02Å; A16-I40 HydrophobicContact CB-CG2 3.96Å; F19-I40 HydrophobicContact CD2-CD1 4.05Å; F19-I40 HydrophobicContact CE2-CD1 3.61Å; L36-I40 HydrophobicContact CB-CD1 4.22Å; L36-I40 HydrophobicContact CD2-CD1 3.81Å; L36-I40 HydrophobicContact CG-CD1 3.63Å; L36-I40 HydrophobicContact CG-CG1 4.26Å; L36-I40 WeakPolarHBondContact O-CD1 3.36Å; L36-I40 WeakPolarHBondContact O-CG1 3.34Å; L36-I40 PolarHBondContact O-N 3.32Å; L36-I40 VanDerWaalsContact O-N 3.17Å; F37-I40 PolarHBondContact O-N 3.01Å; P38-I40 VanDerWaalsContact C-N 3.34Å; I40-T42 VanDerWaalsContact C-N 3.29Å; I40-T42 PolarHBondContact O-N 3.42Å; I40-A43 PolarHBondContact O-N 2.89Å; I40-L44 HydrophobicContact CG2-CD1 4.05Å; I40-L44 WeakPolarHBondContact O-CB 3.49Å; I40-L44 WeakPolarHBondContact O-CG 3.47Å; I40-L44 PolarHBondContact O-N 2.95Å
41L84.3Confident78.5Confident0 Ų044.9 Ų44.90%029%0.291CS..Hα-helixtrans-63.6-34.9178.5-68.8179.4000112.3F37 P38 L44 A45 L66 V90F37-L41 HydrophobicContact CD1-CD1 3.96Å; F37-L41 HydrophobicContact CD1-CG 4.46Å; F37-L41 HydrophobicContact CD2-CG 4.49Å; F37-L41 HydrophobicContact CE1-CD1 3.65Å; F37-L41 HydrophobicContact CE1-CG 4.26Å; F37-L41 HydrophobicContact CE2-CD2 4.23Å; F37-L41 HydrophobicContact CE2-CG 4.27Å; F37-L41 HydrophobicContact CZ-CD1 3.97Å; F37-L41 HydrophobicContact CZ-CD2 4.08Å; F37-L41 HydrophobicContact CZ-CG 4.15Å; F37-L41 WeakPolarHBondContact O-CG 3.36Å; F37-L41 PolarHBondContact O-N 3.44Å; P38-L41 PolarHBondContact O-N 2.91Å; L41-L44 HydrophobicContact CD2-CD1 4.38Å; L41-A45 WeakPolarHBondContact O-CB 3.33Å; L41-A45 PolarHBondContact O-N 2.84Å; L41-L66 HydrophobicContact CD2-CD1 4.29Å; L41-V90 HydrophobicContact CB-CG1 4.39Å; L41-V90 HydrophobicContact CD1-CG1 4.01Å; L41-V90 HydrophobicContact CD1-CG2 4.07Å
42T85Confident78.4Confident63 Ų6349.5 Ų49.539%0.38730%0.303SS..Hα-helixtrans-70.2-41.9175.6-54.70000111.6P38 I40 L44 A45 A46 P91P38-T42 VanDerWaalsContact O-CB 3.32Å; P38-T42 WeakPolarHBondContact O-CB 3.21Å; P38-T42 PolarHBondContact O-N 3.38Å; P38-T42 PolarHBondContact O-OG1 3.46Å; I40-T42 VanDerWaalsContact C-N 3.29Å; I40-T42 PolarHBondContact O-N 3.42Å; T42-L44 VanDerWaalsContact C-N 3.34Å; T42-A45 PolarHBondContact O-N 2.94Å; T42-A46 PolarHBondContact O-N 2.89Å; T42-P91 HydrophobicContact CG2-CG 4.36Å; T42-P91 VanDerWaalsContact OG1-CD 3.24Å; T42-P91 WeakPolarHBondContact OG1-CD 3.36Å
43A82.8Confident78.3Confident19 Ų1945.3 Ų45.316%0.15731%0.308CS..Hα-helixtrans-66.1-35.8174.100000112.3L12 T39 I40 A46 C47L12-A43 HydrophobicContact CD1-CB 3.81Å; L12-A43 HydrophobicContact CD2-CB 4.33Å; T39-A43 WeakPolarHBondContact O-CB 3.21Å; T39-A43 PolarHBondContact O-N 3.48Å; I40-A43 PolarHBondContact O-N 2.89Å; A43-A46 PolarHBondContact O-N 2.88Å; A43-C47 PolarHBondContact O-SG 3.06Å
44L82.4Confident77.3Confident0 Ų054.4 Ų54.40%034%0.343CS..Hα-helixtrans-63-47.4172.2-81.8168.9000112.1L12 A13 A16 I40 L41 T42 A46 C47 L50 G59 L66L12-L44 HydrophobicContact CB-CD1 4.45Å; L12-L44 HydrophobicContact CB-CD2 3.56Å; L12-L44 HydrophobicContact CB-CG 3.78Å; A13-L44 HydrophobicContact CB-CD2 4.26Å; A16-L44 HydrophobicContact CB-CD1 3.66Å; I40-L44 HydrophobicContact CG2-CD1 4.05Å; I40-L44 WeakPolarHBondContact O-CB 3.49Å; I40-L44 WeakPolarHBondContact O-CG 3.47Å; I40-L44 PolarHBondContact O-N 2.95Å; L41-L44 HydrophobicContact CD2-CD1 4.38Å; T42-L44 VanDerWaalsContact C-N 3.34Å; L44-A46 PolarHBondContact O-N 2.78Å; L44-A46 VanDerWaalsContact O-N 3.17Å; L44-C47 VanDerWaalsContact O-CB 3.29Å; L44-C47 WeakPolarHBondContact O-CB 3.36Å; L44-C47 PolarHBondContact O-N 3.19Å; L44-L50 HydrophobicContact CD2-CD1 4.05Å; L44-G59 CarbonylContact O-C 3.55Å; L44-G59 WeakPolarHBondContact O-CA 3.21Å; L44-L66 HydrophobicContact CD1-CD1 4.24Å
45A81.9Confident76.7Confident35 Ų3556.3 Ų56.329%0.28936%0.363SS..Hα-helixtrans-58.1-29.917900000113L41 T42 C47 K63L41-A45 WeakPolarHBondContact O-CB 3.33Å; L41-A45 PolarHBondContact O-N 2.84Å; T42-A45 PolarHBondContact O-N 2.94Å; A45-C47 VanDerWaalsContact C-N 3.29Å; A45-C47 PolarHBondContact O-N 2.88Å; A45-K63 HydrophobicContact CB-CD 3.94Å
46A81.4Confident76.4Confident87 Ų8758.6 Ų58.672%0.71937%0.374SS*.THydrogen-bonded Turntrans-78.5-3.9176.700000114.6T42 A43 L44T42-A46 PolarHBondContact O-N 2.89Å; A43-A46 PolarHBondContact O-N 2.88Å; L44-A46 PolarHBondContact O-N 2.78Å; L44-A46 VanDerWaalsContact O-N 3.17Å
47C80.1Confident76.2Confident28 Ų2858 Ų5819%0.18937%0.37CS..  trans-83.5120.6179.1-65.10000111.3A43 L44 A45 A49 L50 G59A43-C47 PolarHBondContact O-SG 3.06Å; L44-C47 VanDerWaalsContact O-CB 3.29Å; L44-C47 WeakPolarHBondContact O-CB 3.36Å; L44-C47 PolarHBondContact O-N 3.19Å; A45-C47 VanDerWaalsContact C-N 3.29Å; A45-C47 PolarHBondContact O-N 2.88Å; C47-A49 PolarHBondContact O-N 2.98Å; C47-L50 HydrophobicContact CB-CD2 3.93Å; C47-L50 HydrophobicContact CB-CG 4.28Å; C47-G59 WeakPolarHBondContact O-CA 3.46Å; C47-G59 PolarHBondContact O-N 2.7Å
48A71.3Confident76.2Confident99 Ų9959.6 Ų59.682%0.81838%0.382SS*.SBendtrans-64.7-40.3-177.200000114
49A72Confident76Confident59 Ų5959.3 Ų59.349%0.48838%0.38SS..  trans-146140.8177.200000111.4C47 L57C47-A49 PolarHBondContact O-N 2.98Å; A49-L57 CarbonylContact C-O 3.6Å
50L76.5Confident75.9Confident11 Ų1163.3 Ų63.36%0.05840%0.396CS..EExtended strand (participates in β ladder)trans-128.1128.8177.8-64.3178.4000109.7G9 L44 C47 Y52 E56 L57 Y62G9-L50 VanDerWaalsContact C-CD2 3.5Å; G9-L50 VanDerWaalsContact CA-CD2 3.47Å; L44-L50 HydrophobicContact CD2-CD1 4.05Å; C47-L50 HydrophobicContact CB-CD2 3.93Å; C47-L50 HydrophobicContact CB-CG 4.28Å; L50-Y52 PolarHBondContact O-N 3.34Å; L50-E56 WeakPolarHBondContact O-CA 3.41Å; L50-L57 PolarHBondContact N-O 2.79Å; L50-L57 PolarHBondContact O-N 3.29Å; L50-Y62 HydrophobicContact CD1-CD1 3.92Å; L50-Y62 HydrophobicContact CD1-CG 4.05Å
51S64.5Low75.8Confident101 Ų10168.1 Ų68.171%0.70642%0.419SS*.EExtended strand (participates in β ladder)trans-70.1111.6171.759.70000110.4
52Y63.5Low75.7Confident119 Ų11969.2 Ų69.247%0.46742%0.423SS..EExtended strand (participates in β ladder)trans-128.8114.3180-173.7-109.5000111.4L50 K54 G55 L57 Y62L50-Y52 PolarHBondContact O-N 3.34Å; Y52-K54 PolarHBondContact O-N 3.08Å; Y52-G55 PolarHBondContact N-O 2.99Å; Y52-G55 PolarHBondContact O-N 3.02Å; Y52-G55 VanDerWaalsContact O-N 3.08Å; Y52-G55 VanDerWaalsContact O-O 3.14Å; Y52-L57 HydrophobicContact CD1-CD1 3.46Å; Y52-L57 VanDerWaalsContact CD1-CD1 3.46Å; Y52-L57 HydrophobicContact CD1-CG 4.45Å; Y52-L57 HydrophobicContact CE1-CD1 4.18Å; Y52-L57 HydrophobicContact CG-CD1 3.85Å; Y52-Y62 HydrophobicContact CD2-CD2 4.17Å; Y52-Y62 AromaticContact CD2-CE2 3.57Å; Y52-Y62 HydrophobicContact CD2-CE2 3.57Å; Y52-Y62 HydrophobicContact CE2-CD2 4.38Å; Y52-Y62 AromaticContact CE2-CE2 3.49Å; Y52-Y62 HydrophobicContact CE2-CE2 3.49Å; Y52-Y62 VanDerWaalsContact CE2-CE2 3.49Å; Y52-Y62 HydrophobicContact CG-CD2 4.47Å; Y52-Y62 HydrophobicContact CG-CE2 4.28Å
53G67.4Low75.8Confident82 Ų8266.4 Ų66.485%0.84541%0.405SS*.THydrogen-bonded Turntrans62.6-106.8-176.800000112.2
54K52.6Low75.9Confident230 Ų23069 Ų69100%141%0.413SS*.THydrogen-bonded Turntrans-11410.7178-67.3-171178.2-177.10113.8Y52Y52-K54 PolarHBondContact O-N 3.08Å
55G64.2Low75.9Confident43 Ų4373 Ų7344%0.44343%0.432SS..EExtended strand (participates in β ladder)trans-141.2-177.5-177.800000113.3Y52Y52-G55 PolarHBondContact N-O 2.99Å; Y52-G55 PolarHBondContact O-N 3.02Å; Y52-G55 VanDerWaalsContact O-N 3.08Å; Y52-G55 VanDerWaalsContact O-O 3.14Å
56E73Confident76Confident162 Ų16272.1 Ų72.176%0.75742%0.422SS*.EExtended strand (participates in β ladder)trans-106135.4173.8-63.1-176165.500109.4L50L50-E56 WeakPolarHBondContact O-CA 3.41Å
57L79.8Confident76.2Confident36 Ų3668 Ų6819%0.18839%0.388CS..EExtended strand (participates in β ladder)trans-119.8149.2169.2-74173.9000108.7A49 L50 Y52 Y62A49-L57 CarbonylContact C-O 3.6Å; L50-L57 PolarHBondContact N-O 2.79Å; L50-L57 PolarHBondContact O-N 3.29Å; Y52-L57 HydrophobicContact CD1-CD1 3.46Å; Y52-L57 VanDerWaalsContact CD1-CD1 3.46Å; Y52-L57 HydrophobicContact CD1-CG 4.45Å; Y52-L57 HydrophobicContact CE1-CD1 4.18Å; Y52-L57 HydrophobicContact CG-CD1 3.85Å; L57-Y62 HydrophobicContact CD1-CD2 4.21Å
58S83.3Confident76.5Confident36 Ų3669.7 Ų69.725%0.25240%0.395SS..  trans-67.7155.6166.766.70000111E60 E61 Y62S58-E60 PolarHBondContact O-N 2.98Å; S58-E61 VanDerWaalsContact CB-OE2 3.31Å; S58-E61 WeakPolarHBondContact CB-OE2 3.45Å; S58-E61 PolarHBondContact N-OE2 3.08Å; S58-E61 PolarHBondContact O-N 2.81Å; S58-E61 WeakPolarHBondContact OG-CB 3.21Å; S58-E61 WeakPolarHBondContact OG-CG 3.49Å; S58-E61 PolarHBondContact OG-N 3.29Å; S58-E61 VanDerWaalsContact OG-N 3.15Å; S58-E61 PolarHBondContact OG-OE2 3.1Å; S58-Y62 PolarHBondContact O-N 3.34Å
59G81.6Confident77.1Confident0 Ų067 Ų670%037%0.37CS..Hα-helixtrans-60.1-31.8174.700000113.7L44 C47 K63L44-G59 CarbonylContact O-C 3.55Å; L44-G59 WeakPolarHBondContact O-CA 3.21Å; C47-G59 WeakPolarHBondContact O-CA 3.46Å; C47-G59 PolarHBondContact O-N 2.7Å; G59-K63 WeakPolarHBondContact O-CB 3.38Å; G59-K63 PolarHBondContact O-N 3.05Å
60E81.8Confident77.8Confident120 Ų12064.2 Ų64.256%0.56135%0.347SS*.Hα-helixtrans-73-44.2177.2-172168.7-161.400112.5S58 Y62 K63 K64S58-E60 PolarHBondContact O-N 2.98Å; E60-Y62 VanDerWaalsContact C-N 3.33Å; E60-Y62 PolarHBondContact O-N 3.31Å; E60-K63 WeakPolarHBondContact O-CB 3.47Å; E60-K63 PolarHBondContact O-N 3.03Å; E60-K64 PolarHBondContact O-N 2.75Å
61E82.6Confident78.1Confident101 Ų10163.7 Ų63.747%0.47235%0.345SS..Hα-helixtrans-62.9-40174.3-71.5161.813700111.8S58 K64 Q65S58-E61 VanDerWaalsContact CB-OE2 3.31Å; S58-E61 WeakPolarHBondContact CB-OE2 3.45Å; S58-E61 PolarHBondContact N-OE2 3.08Å; S58-E61 PolarHBondContact O-N 2.81Å; S58-E61 WeakPolarHBondContact OG-CB 3.21Å; S58-E61 WeakPolarHBondContact OG-CG 3.49Å; S58-E61 PolarHBondContact OG-N 3.29Å; S58-E61 VanDerWaalsContact OG-N 3.15Å; S58-E61 PolarHBondContact OG-OE2 3.1Å; E61-K64 PolarHBondContact O-N 3.36Å; E61-Q65 WeakPolarHBondContact O-CG 3.46Å; E61-Q65 PolarHBondContact O-N 3.16Å
62Y82.8Confident79.1Confident22 Ų2262.9 Ų62.99%0.08634%0.339CS..Hα-helixtrans-66.4-41.5177.1-169.1-109.9000111.9A13 L50 Y52 L57 S58 E60 K64 Q65 L66A13-Y62 HydrophobicContact CB-CD1 4.13Å; A13-Y62 HydrophobicContact CB-CE1 3.47Å; A13-Y62 VanDerWaalsContact CB-CE1 3.47Å; L50-Y62 HydrophobicContact CD1-CD1 3.92Å; L50-Y62 HydrophobicContact CD1-CG 4.05Å; Y52-Y62 HydrophobicContact CD2-CD2 4.17Å; Y52-Y62 AromaticContact CD2-CE2 3.57Å; Y52-Y62 HydrophobicContact CD2-CE2 3.57Å; Y52-Y62 HydrophobicContact CE2-CD2 4.38Å; Y52-Y62 AromaticContact CE2-CE2 3.49Å; Y52-Y62 HydrophobicContact CE2-CE2 3.49Å; Y52-Y62 VanDerWaalsContact CE2-CE2 3.49Å; Y52-Y62 HydrophobicContact CG-CD2 4.47Å; Y52-Y62 HydrophobicContact CG-CE2 4.28Å; L57-Y62 HydrophobicContact CD1-CD2 4.21Å; S58-Y62 PolarHBondContact O-N 3.34Å; E60-Y62 VanDerWaalsContact C-N 3.33Å; E60-Y62 PolarHBondContact O-N 3.31Å; Y62-K64 VanDerWaalsContact C-N 3.34Å; Y62-K64 PolarHBondContact O-N 3.4Å; Y62-Q65 PolarHBondContact O-N 3.45Å; Y62-L66 HydrophobicContact CD1-CD1 3.87Å; Y62-L66 HydrophobicContact CD1-CG 4.37Å; Y62-L66 HydrophobicContact CE1-CD1 3.61Å; Y62-L66 HydrophobicContact CE1-CD2 4.39Å; Y62-L66 HydrophobicContact CE1-CG 4.05Å; Y62-L66 WeakPolarHBondContact O-CG 3.32Å; Y62-L66 PolarHBondContact O-N 3.09Å
63K86.3Confident80Confident4 Ų458 Ų582%0.01732%0.322CS..Hα-helixtrans-56.3-46.6169.3163.5-178.2159.4-75.50111.5A45 G59 E60 Q65 L66 I67 P91 E96A45-K63 HydrophobicContact CB-CD 3.94Å; G59-K63 WeakPolarHBondContact O-CB 3.38Å; G59-K63 PolarHBondContact O-N 3.05Å; E60-K63 WeakPolarHBondContact O-CB 3.47Å; E60-K63 PolarHBondContact O-N 3.03Å; K63-Q65 VanDerWaalsContact C-N 3.34Å; K63-Q65 PolarHBondContact O-N 3.47Å; K63-L66 PolarHBondContact O-N 2.72Å; K63-I67 HydrophobicContact CD-CD1 4.4Å; K63-I67 HydrophobicContact CG-CD1 3.73Å; K63-I67 HydrophobicContact CG-CG1 4.49Å; K63-I67 WeakPolarHBondContact O-CG1 3.43Å; K63-I67 PolarHBondContact O-N 3.25Å; K63-P91 WeakPolarHBondContact CE-O 3.28Å; K63-P91 PolarHBondContact NZ-O 2.82Å; K63-P91 VanDerWaalsContact NZ-O 3.13Å; K63-E96 IonicContact NZ-OE1 3.39Å; K63-E96 PolarHBondContact NZ-OE1 3.11Å; K63-E96 IonicContact NZ-OE2 3.86Å; K63-E96 PolarHBondContact NZ-OE2 2.91Å
64K84.8Confident80.7Confident73 Ų7365 Ų6532%0.31732%0.323SS..Hα-helixtrans-60.7-42.2179-171.2174-176.4175.50111.7E60 E61 Y62 I67 N68 E95 E96E60-K64 PolarHBondContact O-N 2.75Å; E61-K64 PolarHBondContact O-N 3.36Å; Y62-K64 VanDerWaalsContact C-N 3.34Å; Y62-K64 PolarHBondContact O-N 3.4Å; K64-I67 PolarHBondContact O-N 3.1Å; K64-N68 WeakPolarHBondContact O-CB 3.37Å; K64-N68 PolarHBondContact O-N 2.8Å; K64-N68 PolarHBondContact O-ND2 3.14Å; K64-E95 WeakPolarHBondContact CE-OE2 3.49Å; K64-E95 IonicContact NZ-OE2 2.73Å; K64-E95 PolarHBondContact NZ-OE2 3.37Å; K64-E96 WeakPolarHBondContact CA-OE1 3.37Å; K64-E96 HydrophobicContact CG-CG 4.16Å
65Q83.5Confident82.2Confident85 Ų8554.8 Ų54.840%0.39728%0.278SS..Hα-helixtrans-63.2-42174-71-179.817.200112.7E61 Y62 K63 N68 S69E61-Q65 WeakPolarHBondContact O-CG 3.46Å; E61-Q65 PolarHBondContact O-N 3.16Å; Y62-Q65 PolarHBondContact O-N 3.45Å; K63-Q65 VanDerWaalsContact C-N 3.34Å; K63-Q65 PolarHBondContact O-N 3.47Å; Q65-N68 PolarHBondContact O-N 2.9Å; Q65-S69 WeakPolarHBondContact O-CB 3.46Å; Q65-S69 PolarHBondContact O-N 3.22Å
66L84Confident83.1Confident16 Ų1655.3 Ų55.38%0.08427%0.271CS..Hα-helixtrans-63.1-45.3176.1-72.9171.6000112.1A16 V20 L41 L44 Y62 K63 S69 L70A16-L66 HydrophobicContact CB-CD1 3.73Å; V20-L66 HydrophobicContact CG2-CD2 4.24Å; L41-L66 HydrophobicContact CD2-CD1 4.29Å; L44-L66 HydrophobicContact CD1-CD1 4.24Å; Y62-L66 HydrophobicContact CD1-CD1 3.87Å; Y62-L66 HydrophobicContact CD1-CG 4.37Å; Y62-L66 HydrophobicContact CE1-CD1 3.61Å; Y62-L66 HydrophobicContact CE1-CD2 4.39Å; Y62-L66 HydrophobicContact CE1-CG 4.05Å; Y62-L66 WeakPolarHBondContact O-CG 3.32Å; Y62-L66 PolarHBondContact O-N 3.09Å; K63-L66 PolarHBondContact O-N 2.72Å; L66-S69 PolarHBondContact O-N 3.12Å; L66-L70 WeakPolarHBondContact O-CB 3.46Å; L66-L70 PolarHBondContact O-N 3.19Å
67I85.3Confident83.5Confident1 Ų149.9 Ų49.91%0.00525%0.25CC..Hα-helixtrans-64.3-42.8178-67.9168.8000110.7K63 K64 L70 C71 F87 L92 E96K63-I67 HydrophobicContact CD-CD1 4.4Å; K63-I67 HydrophobicContact CG-CD1 3.73Å; K63-I67 HydrophobicContact CG-CG1 4.49Å; K63-I67 WeakPolarHBondContact O-CG1 3.43Å; K63-I67 PolarHBondContact O-N 3.25Å; K64-I67 PolarHBondContact O-N 3.1Å; I67-L70 PolarHBondContact O-N 2.95Å; I67-C71 WeakPolarHBondContact O-CB 3.43Å; I67-C71 PolarHBondContact O-N 3.49Å; I67-C71 PolarHBondContact O-SG 3.4Å; I67-C71 VanDerWaalsContact O-SG 3.36Å; I67-F87 HydrophobicContact CG1-CE1 4.45Å; I67-F87 HydrophobicContact CG2-CE1 4.49Å; I67-L92 HydrophobicContact CD1-CD2 3.76Å; I67-E96 HydrophobicContact CD1-CG 4.41Å; I67-E96 HydrophobicContact CG2-CB 4.36Å; I67-E96 HydrophobicContact CG2-CG 4.39Å
68N85.8Confident83.5Confident63 Ų6355.2 Ų55.234%0.33727%0.274SS..Hα-helixtrans-62.9-42.6175.3-73.5-12000111.8K64 Q65 C71 S72 F99K64-N68 WeakPolarHBondContact O-CB 3.37Å; K64-N68 PolarHBondContact O-N 2.8Å; K64-N68 PolarHBondContact O-ND2 3.14Å; Q65-N68 PolarHBondContact O-N 2.9Å; N68-C71 PolarHBondContact O-N 2.94Å; N68-S72 VanDerWaalsContact O-CB 3.31Å; N68-S72 WeakPolarHBondContact O-CB 3.41Å; N68-S72 PolarHBondContact O-N 3.29Å; N68-S72 PolarHBondContact O-OG 3.3Å; N68-F99 HydrophobicContact CB-CE1 4.45Å
69S85.1Confident83.4Confident42 Ų4254.4 Ų54.429%0.29427%0.268SS..Hα-helixtrans-60.6-46.5174.3-169.20000111.3Q65 L66 S72 S73Q65-S69 WeakPolarHBondContact O-CB 3.46Å; Q65-S69 PolarHBondContact O-N 3.22Å; L66-S69 PolarHBondContact O-N 3.12Å; S69-S72 PolarHBondContact O-N 3.05Å; S69-S72 PolarHBondContact O-OG 2.64Å; S69-S73 PolarHBondContact O-N 3.47Å; S69-S73 PolarHBondContact O-OG 2.94Å
70L84.9Confident83.7Confident1 Ų154.4 Ų54.41%0.00527%0.268CS..Hα-helixtrans-62.9-44.4179.3-179.655.6000112.4V20 I23 F37 L66 I67 S72 S73 W75 F87V20-L70 HydrophobicContact CG2-CB 4.48Å; I23-L70 HydrophobicContact CB-CD1 4.11Å; I23-L70 HydrophobicContact CD1-CD1 3.91Å; I23-L70 HydrophobicContact CD1-CD2 4.35Å; I23-L70 HydrophobicContact CG2-CD1 3.69Å; F37-L70 HydrophobicContact CE1-CD2 3.96Å; F37-L70 HydrophobicContact CZ-CD2 4.47Å; L66-L70 WeakPolarHBondContact O-CB 3.46Å; L66-L70 PolarHBondContact O-N 3.19Å; I67-L70 PolarHBondContact O-N 2.95Å; L70-S72 VanDerWaalsContact C-N 3.32Å; L70-S72 PolarHBondContact O-N 3.41Å; L70-S73 PolarHBondContact O-N 3.27Å; L70-S73 PolarHBondContact O-OG 3.15Å; L70-W75 PolarHBondContact O-NE1 2.92Å; L70-F87 HydrophobicContact CD2-CE2 4.35Å; L70-F87 HydrophobicContact CD2-CZ 3.7Å; L70-F87 HydrophobicContact CG-CZ 4.43Å
71C84.3Confident83.9Confident1 Ų150.5 Ų50.51%0.00725%0.251CS..Hα-helixtrans-71.5-26.4177-65.50000112.6I67 N68 F99 K103I67-C71 WeakPolarHBondContact O-CB 3.43Å; I67-C71 PolarHBondContact O-N 3.49Å; I67-C71 PolarHBondContact O-SG 3.4Å; I67-C71 VanDerWaalsContact O-SG 3.36Å; N68-C71 PolarHBondContact O-N 2.94Å; C71-F99 HydrophobicContact CB-CD1 3.44Å; C71-F99 VanDerWaalsContact CB-CD1 3.44Å; C71-F99 HydrophobicContact CB-CE1 3.38Å; C71-F99 HydrophobicContact CB-CG 4.41Å; C71-F99 HydrophobicContact CB-CZ 4.3Å; C71-K103 HydrophobicContact CB-CB 4.29Å; C71-K103 HydrophobicContact CB-CG 4.36Å; C71-K103 VanDerWaalsContact O-CD 3.28Å; C71-K103 WeakPolarHBondContact O-CD 3.4Å; C71-K103 VanDerWaalsContact O-CE 3.26Å; C71-K103 WeakPolarHBondContact O-CE 3.31Å; C71-K103 PolarHBondContact O-NZ 3.37Å
72S84.7Confident84Confident84 Ų8450.2 Ų50.259%0.58725%0.249SC*.Hα-helixtrans-72.7-33172.378.20000113.5N68 S69 L70N68-S72 VanDerWaalsContact O-CB 3.31Å; N68-S72 WeakPolarHBondContact O-CB 3.41Å; N68-S72 PolarHBondContact O-N 3.29Å; N68-S72 PolarHBondContact O-OG 3.3Å; S69-S72 PolarHBondContact O-N 3.05Å; S69-S72 PolarHBondContact O-OG 2.64Å; L70-S72 VanDerWaalsContact C-N 3.32Å; L70-S72 PolarHBondContact O-N 3.41Å
73S83.2Confident84.2Confident16 Ų1649.2 Ų49.211%0.11225%0.245CC..SBendtrans-69.7158.2-17954.40000114.3S69 L70 K103S69-S73 PolarHBondContact O-N 3.47Å; S69-S73 PolarHBondContact O-OG 2.94Å; L70-S73 PolarHBondContact O-N 3.27Å; L70-S73 PolarHBondContact O-OG 3.15Å; S73-K103 PolarHBondContact O-NZ 2.86Å
74R80.6Confident84.2Confident230 Ų23049 Ų4987%0.86824%0.244SC*.  trans-67137.3171.1-63.4-177.2-178.7-168.5-0.5109.3
75W85.3Confident84.4Confident14 Ų1447.2 Ų47.25%0.05324%0.239CC..  trans-107139.8174.1-67.66.3000108.4L70 V80 L83 F87 L100 K103 V104 M107L70-W75 PolarHBondContact O-NE1 2.92Å; W75-V80 HydrophobicContact CB-CG2 4.39Å; W75-V80 HydrophobicContact CE3-CG1 4.2Å; W75-V80 HydrophobicContact CE3-CG2 4.26Å; W75-V80 HydrophobicContact CZ3-CG1 4.38Å; W75-L83 HydrophobicContact CD2-CD1 3.81Å; W75-L83 HydrophobicContact CE3-CD1 3.87Å; W75-L83 HydrophobicContact CG-CD1 4.15Å; W75-L83 HydrophobicContact CH2-CB 4.43Å; W75-L83 HydrophobicContact CZ3-CB 4.17Å; W75-L83 HydrophobicContact CZ3-CD1 4.29Å; W75-F87 AromaticContact CH2-CE2 3.92Å; W75-F87 HydrophobicContact CH2-CE2 3.92Å; W75-F87 HydrophobicContact CZ2-CE2 4.14Å; W75-L100 HydrophobicContact CH2-CD1 3.69Å; W75-L100 HydrophobicContact CZ2-CD1 4.36Å; W75-K103 HydrophobicContact CD2-CG 4.38Å; W75-K103 HydrophobicContact CH2-CG 4.12Å; W75-K103 HydrophobicContact CZ2-CG 3.9Å; W75-K103 HydrophobicContact CZ3-CG 4.44Å; W75-V104 HydrophobicContact CH2-CG2 4.31Å; W75-V104 HydrophobicContact CZ3-CG2 4.02Å; W75-M107 HydrophobicContact CB-CE 4.18Å; W75-M107 HydrophobicContact CB-SD 4.32Å; W75-M107 HydrophobicContact CE3-CG 4.49Å; W75-M107 WeakPolarHBondContact O-CE 3.21Å
76D81.9Confident84.6Confident55 Ų5543.6 Ų43.629%0.29422%0.223SC..  trans-72.4127.7168.2-172.1-41000109.2Q78 C79 V80D76-Q78 PolarHBondContact O-N 3.28Å; D76-Q78 PolarHBondContact OD1-N 2.78Å; D76-C79 HydrophobicContact CB-CB 4.38Å; D76-C79 PolarHBondContact O-N 3.3Å; D76-V80 WeakPolarHBondContact O-CG2 3.43Å; D76-V80 PolarHBondContact O-N 3.04Å
77P81.9Confident84.7Confident48 Ų4842.9 Ų42.931%0.31222%0.219SC..Hα-helixtrans-44.3-45175.6-31.937.9000114C79 V80 M111P77-C79 PolarHBondContact O-N 3.35Å; P77-C79 VanDerWaalsContact O-N 3.09Å; P77-V80 WeakPolarHBondContact O-CG2 3.39Å; P77-V80 PolarHBondContact O-N 3.1Å; P77-M111 HydrophobicContact CB-CG 4.19Å
78Q80.8Confident84.7Confident148 Ų14847.2 Ų47.269%0.69224%0.235SC*.Hα-helixtrans-63.4-23.3-176.9-58.8-175.2-4.200113D76 H82D76-Q78 PolarHBondContact O-N 3.28Å; D76-Q78 PolarHBondContact OD1-N 2.78Å; Q78-H82 PolarHBondContact O-ND1 3.3Å
79C81.5Confident84.6Confident18 Ų1848.7 Ų48.712%0.12224%0.243CC..Hα-helixtrans-92.2-14.7179.4-69.20000113.6D76 P77 I81 H82 L83D76-C79 HydrophobicContact CB-CB 4.38Å; D76-C79 PolarHBondContact O-N 3.3Å; P77-C79 PolarHBondContact O-N 3.35Å; P77-C79 VanDerWaalsContact O-N 3.09Å; C79-I81 PolarHBondContact O-N 3.44Å; C79-H82 PolarHBondContact O-N 2.94Å; C79-L83 HydrophobicContact CB-CD1 4.11Å; C79-L83 HydrophobicContact CB-CG 4.41Å; C79-L83 WeakPolarHBondContact O-CB 3.33Å; C79-L83 VanDerWaalsContact O-CG 3.31Å; C79-L83 WeakPolarHBondContact O-CG 3.43Å; C79-L83 PolarHBondContact O-N 2.95Å
80V86.4Confident84.6Confident0 Ų046.8 Ų46.80%023%0.229CC..Hα-helixtrans-62.1-43.5-168.5-178.20000112.5W75 D76 P77 L83 T84 M107 M111 L119W75-V80 HydrophobicContact CB-CG2 4.39Å; W75-V80 HydrophobicContact CE3-CG1 4.2Å; W75-V80 HydrophobicContact CE3-CG2 4.26Å; W75-V80 HydrophobicContact CZ3-CG1 4.38Å; D76-V80 WeakPolarHBondContact O-CG2 3.43Å; D76-V80 PolarHBondContact O-N 3.04Å; P77-V80 WeakPolarHBondContact O-CG2 3.39Å; P77-V80 PolarHBondContact O-N 3.1Å; V80-L83 PolarHBondContact O-N 3.42Å; V80-T84 WeakPolarHBondContact O-CB 3.19Å; V80-T84 PolarHBondContact O-N 2.91Å; V80-T84 PolarHBondContact O-OG1 2.99Å; V80-M107 HydrophobicContact CG1-CB 4.17Å; V80-M107 HydrophobicContact CG1-CG 4.36Å; V80-M107 HydrophobicContact CG2-CB 4.33Å; V80-M107 HydrophobicContact CG2-CE 3.8Å; V80-M107 HydrophobicContact CG2-CG 4.2Å; V80-M111 HydrophobicContact CB-CE 4.24Å; V80-M111 HydrophobicContact CB-SD 3.82Å; V80-M111 HydrophobicContact CG1-SD 3.88Å; V80-M111 HydrophobicContact CG2-SD 4Å; V80-L119 HydrophobicContact CG1-CD1 3.9Å; V80-L119 HydrophobicContact CG1-CD2 3.76Å
81I86.7Confident84.4Confident39 Ų3949.7 Ų49.720%0.225%0.248CC..Hα-helixtrans-64.2-43.8178.8-60.3172.4000110.5C79 T84 T85 M111 E115 P118 L119 Q122C79-I81 PolarHBondContact O-N 3.44Å; I81-T84 PolarHBondContact O-N 3.37Å; I81-T85 WeakPolarHBondContact O-CB 3.36Å; I81-T85 PolarHBondContact O-N 3.28Å; I81-T85 PolarHBondContact O-OG1 3.1Å; I81-M111 HydrophobicContact CD1-CE 4.39Å; I81-M111 HydrophobicContact CG1-CE 4.18Å; I81-E115 HydrophobicContact CD1-CB 4.46Å; I81-P118 HydrophobicContact CD1-CB 4.33Å; I81-P118 HydrophobicContact CD1-CG 4Å; I81-L119 HydrophobicContact CG1-CB 4.1Å; I81-L119 HydrophobicContact CG1-CD1 4.29Å; I81-Q122 HydrophobicContact CG2-CG 4.17Å
82H84.9Confident84.4Confident95 Ų9551.2 Ų51.244%0.4426%0.256SS..Hα-helixtrans-65.2-43.2178.4-64.9102.6000112.2L34 Q78 C79 T85 M86L34-H82 HydrophobicContact CD1-CB 3.98Å; Q78-H82 PolarHBondContact O-ND1 3.3Å; C79-H82 PolarHBondContact O-N 2.94Å; H82-T85 PolarHBondContact O-N 3.49Å; H82-M86 WeakPolarHBondContact O-CB 3.48Å; H82-M86 PolarHBondContact O-N 3.06Å
83L85.9Confident84.5Confident1 Ų149.2 Ų49.21%0.00524%0.242CC..Hα-helixtrans-63.1-45.5175.1-70.7170.1000111.5I23 L34 W75 C79 V80 T85 M86 F87I23-L83 HydrophobicContact CD1-CD2 3.84Å; I23-L83 HydrophobicContact CG1-CD2 4.3Å; I23-L83 HydrophobicContact CG2-CD1 4.09Å; I23-L83 HydrophobicContact CG2-CD2 4.38Å; L34-L83 HydrophobicContact CD1-CD2 4.03Å; L34-L83 HydrophobicContact CD1-CG 4.41Å; L34-L83 HydrophobicContact CD2-CD2 4.08Å; W75-L83 HydrophobicContact CD2-CD1 3.81Å; W75-L83 HydrophobicContact CE3-CD1 3.87Å; W75-L83 HydrophobicContact CG-CD1 4.15Å; W75-L83 HydrophobicContact CH2-CB 4.43Å; W75-L83 HydrophobicContact CZ3-CB 4.17Å; W75-L83 HydrophobicContact CZ3-CD1 4.29Å; C79-L83 HydrophobicContact CB-CD1 4.11Å; C79-L83 HydrophobicContact CB-CG 4.41Å; C79-L83 WeakPolarHBondContact O-CB 3.33Å; C79-L83 VanDerWaalsContact O-CG 3.31Å; C79-L83 WeakPolarHBondContact O-CG 3.43Å; C79-L83 PolarHBondContact O-N 2.95Å; V80-L83 PolarHBondContact O-N 3.42Å; L83-T85 VanDerWaalsContact C-N 3.32Å; L83-T85 PolarHBondContact O-N 2.87Å; L83-M86 HydrophobicContact CD2-CE 4.36Å; L83-M86 WeakPolarHBondContact O-CB 3.36Å; L83-M86 PolarHBondContact O-N 3.33Å; L83-F87 WeakPolarHBondContact O-CD2 3.29Å; L83-F87 PolarHBondContact O-N 3.33Å
84T87.7Confident84.5Confident0 Ų052.3 Ų52.30%027%0.269CS..Hα-helixtrans-62.2-41.2178.1-54.20000111.3V80 I81 F87 L119 Q122V80-T84 WeakPolarHBondContact O-CB 3.19Å; V80-T84 PolarHBondContact O-N 2.91Å; V80-T84 PolarHBondContact O-OG1 2.99Å; I81-T84 PolarHBondContact O-N 3.37Å; T84-F87 PolarHBondContact O-N 3.24Å; T84-L119 HydrophobicContact CG2-CD1 4.18Å; T84-L119 WeakPolarHBondContact OG1-CD1 3.43Å; T84-Q122 HydrophobicContact CG2-CB 3.98Å
85T87.6Confident84.7Confident35 Ų3547.3 Ų47.322%0.21526%0.256CS..Hα-helixtrans-63-44.5174.4-52.30000111.4I81 H82 L83 F87 R88 Q122I81-T85 WeakPolarHBondContact O-CB 3.36Å; I81-T85 PolarHBondContact O-N 3.28Å; I81-T85 PolarHBondContact O-OG1 3.1Å; H82-T85 PolarHBondContact O-N 3.49Å; L83-T85 VanDerWaalsContact C-N 3.32Å; L83-T85 PolarHBondContact O-N 2.87Å; T85-F87 PolarHBondContact O-N 2.79Å; T85-R88 WeakPolarHBondContact O-CB 3.16Å; T85-R88 PolarHBondContact O-N 2.87Å; T85-R88 VanDerWaalsContact O-N 3.1Å; T85-Q122 WeakPolarHBondContact OG1-CG 3.19Å
86M87.6Confident84.7Confident9 Ų946.8 Ų46.84%0.04425%0.253CS..Hα-helixtrans-58.5-43.6177.4175.1-73-63.200111.9L34 F37 P38 H82 L83 R88 D89 V90L34-M86 HydrophobicContact CB-CB 4.47Å; L34-M86 HydrophobicContact CB-CG 4.29Å; L34-M86 WeakPolarHBondContact O-CG 3.33Å; F37-M86 HydrophobicContact CB-CG 4.49Å; F37-M86 HydrophobicContact CB-SD 4.49Å; F37-M86 HydrophobicContact CD1-CE 3.77Å; F37-M86 HydrophobicContact CD1-SD 3.69Å; F37-M86 HydrophobicContact CE1-CE 4.17Å; P38-M86 HydrophobicContact CG-CG 3.62Å; P38-M86 WeakPolarHBondContact CG-O 3.47Å; P38-M86 HydrophobicContact CG-SD 3.77Å; H82-M86 WeakPolarHBondContact O-CB 3.48Å; H82-M86 PolarHBondContact O-N 3.06Å; L83-M86 HydrophobicContact CD2-CE 4.36Å; L83-M86 WeakPolarHBondContact O-CB 3.36Å; L83-M86 PolarHBondContact O-N 3.33Å; M86-R88 PolarHBondContact O-N 3.42Å; M86-R88 VanDerWaalsContact O-N 3.15Å; M86-D89 PolarHBondContact O-N 2.83Å; M86-V90 HydrophobicContact SD-CG2 3.63Å
87F87.5Confident85Confident0 Ų044.3 Ų44.30%024%0.24CC..Hα-helixtrans-64.9-16.1177.7-78.4-67000114.4I67 L70 W75 L83 T84 T85 D89 V90 L92 L100 K129I67-F87 HydrophobicContact CG1-CE1 4.45Å; I67-F87 HydrophobicContact CG2-CE1 4.49Å; L70-F87 HydrophobicContact CD2-CE2 4.35Å; L70-F87 HydrophobicContact CD2-CZ 3.7Å; L70-F87 HydrophobicContact CG-CZ 4.43Å; W75-F87 AromaticContact CH2-CE2 3.92Å; W75-F87 HydrophobicContact CH2-CE2 3.92Å; W75-F87 HydrophobicContact CZ2-CE2 4.14Å; L83-F87 WeakPolarHBondContact O-CD2 3.29Å; L83-F87 PolarHBondContact O-N 3.33Å; T84-F87 PolarHBondContact O-N 3.24Å; T85-F87 PolarHBondContact O-N 2.79Å; F87-D89 PolarHBondContact O-N 3.34Å; F87-V90 HydrophobicContact CD1-CB 4.42Å; F87-V90 HydrophobicContact CD1-CG2 4.15Å; F87-V90 PolarHBondContact O-N 3.14Å; F87-L92 HydrophobicContact CD1-CD1 4.48Å; F87-L92 HydrophobicContact CD1-CD2 4.32Å; F87-L100 HydrophobicContact CB-CD2 3.53Å; F87-L100 HydrophobicContact CD1-CD2 3.82Å; F87-L100 HydrophobicContact CD2-CD1 3.47Å; F87-L100 VanDerWaalsContact CD2-CD1 3.47Å; F87-L100 HydrophobicContact CD2-CD2 3.78Å; F87-L100 HydrophobicContact CD2-CG 4.29Å; F87-L100 HydrophobicContact CE1-CD2 4.42Å; F87-L100 HydrophobicContact CE2-CD1 3.48Å; F87-L100 VanDerWaalsContact CE2-CD1 3.48Å; F87-L100 HydrophobicContact CE2-CD2 4.4Å; F87-L100 HydrophobicContact CG-CD1 4.05Å; F87-L100 HydrophobicContact CG-CD2 3.46Å; F87-L100 VanDerWaalsContact CG-CD2 3.46Å; F87-L100 HydrophobicContact CG-CG 4.42Å; F87-L100 HydrophobicContact CZ-CD1 4.03Å; F87-K129 PolarHBondContact O-NZ 3.03Å
88R84.4Confident85.3Confident92 Ų9246 Ų4635%0.34724%0.244SC..THydrogen-bonded Turntrans-63.8-25.4170.8-167.7-170.661-140.1-10.4112.3T85 M86 K129T85-R88 WeakPolarHBondContact O-CB 3.16Å; T85-R88 PolarHBondContact O-N 2.87Å; T85-R88 VanDerWaalsContact O-N 3.1Å; M86-R88 PolarHBondContact O-N 3.42Å; M86-R88 VanDerWaalsContact O-N 3.15Å; R88-K129 WeakPolarHBondContact O-CE 3.5Å; R88-K129 PolarHBondContact O-NZ 3.18Å
89D84.4Confident85.6Confident95 Ų9542.2 Ų42.251%0.50823%0.226SC..THydrogen-bonded Turntrans-103.80.2-176.8-52.3-27.2000112.4P38 M86 F87P38-D89 HydrophobicContact CB-CB 4.04Å; P38-D89 HydrophobicContact CG-CB 4.18Å; M86-D89 PolarHBondContact O-N 2.83Å; F87-D89 PolarHBondContact O-N 3.34Å
90V84.5Confident85.9Confident1 Ų141.4 Ų41.41%0.00622%0.22CC..SBendtrans-89.5132.3174.7-178.10000111.3P38 L41 M86 F87 L92 K129P38-V90 HydrophobicContact CB-CG2 3.84Å; P38-V90 HydrophobicContact CG-CG2 4.02Å; L41-V90 HydrophobicContact CB-CG1 4.39Å; L41-V90 HydrophobicContact CD1-CG1 4.01Å; L41-V90 HydrophobicContact CD1-CG2 4.07Å; M86-V90 HydrophobicContact SD-CG2 3.63Å; F87-V90 HydrophobicContact CD1-CB 4.42Å; F87-V90 HydrophobicContact CD1-CG2 4.15Å; F87-V90 PolarHBondContact O-N 3.14Å; V90-L92 HydrophobicContact CB-CD2 4.37Å; V90-L92 HydrophobicContact CB-CG 4.43Å; V90-L92 HydrophobicContact CG1-CD2 3.8Å; V90-L92 HydrophobicContact CG1-CG 4.25Å; V90-L92 PolarHBondContact O-N 2.78Å; V90-K129 PolarHBondContact O-NZ 3.24Å
91P80.8Confident86.1Confident62 Ų6241.4 Ų41.440%0.40322%0.22SC..  trans-69118.7167.828-32.5000110T42 K63T42-P91 HydrophobicContact CG2-CG 4.36Å; T42-P91 VanDerWaalsContact OG1-CD 3.24Å; T42-P91 WeakPolarHBondContact OG1-CD 3.36Å; K63-P91 WeakPolarHBondContact CE-O 3.28Å; K63-P91 PolarHBondContact NZ-O 2.82Å; K63-P91 VanDerWaalsContact NZ-O 3.13Å
92L84.8Confident86.2Confident34 Ų3441.9 Ų41.918%0.17822%0.223CC..  trans-117.1137.4-177.3-63.7171.9000110.2I67 F87 V90 E96 L97 L100I67-L92 HydrophobicContact CD1-CD2 3.76Å; F87-L92 HydrophobicContact CD1-CD1 4.48Å; F87-L92 HydrophobicContact CD1-CD2 4.32Å; V90-L92 HydrophobicContact CB-CD2 4.37Å; V90-L92 HydrophobicContact CB-CG 4.43Å; V90-L92 HydrophobicContact CG1-CD2 3.8Å; V90-L92 HydrophobicContact CG1-CG 4.25Å; V90-L92 PolarHBondContact O-N 2.78Å; L92-E96 HydrophobicContact CB-CB 4.44Å; L92-E96 HydrophobicContact CD2-CB 4.12Å; L92-L97 HydrophobicContact CB-CB 4.33Å; L92-L97 HydrophobicContact CD1-CD1 3.96Å; L92-L100 HydrophobicContact CD1-CD2 3.73Å
93S85.5Confident86.4Confident41 Ų4138.3 Ų38.329%0.28721%0.206SC..  trans-72.8162.8164.361.90000110.8E95 E96 L97S93-E95 VanDerWaalsContact C-N 3.29Å; S93-E95 PolarHBondContact O-N 3.07Å; S93-E96 PolarHBondContact N-OE2 3.49Å; S93-E96 PolarHBondContact O-N 3.5Å; S93-E96 WeakPolarHBondContact OG-CB 3.48Å; S93-E96 WeakPolarHBondContact OG-CG 3.23Å; S93-E96 PolarHBondContact OG-N 2.67Å; S93-E96 PolarHBondContact OG-OE2 3.27Å; S93-L97 WeakPolarHBondContact O-CB 3.29Å; S93-L97 PolarHBondContact O-N 3.46Å
94A84.6Confident86.6Confident82 Ų8238.3 Ų38.368%0.67821%0.206SC*.Hα-helixtrans-59-38.5-178.800000113Q98A94-Q98 WeakPolarHBondContact O-CB 3.28Å; A94-Q98 PolarHBondContact O-N 3.39Å
95E84.8Confident86.7Confident125 Ų12539.7 Ų39.758%0.58421%0.213SC*.Hα-helixtrans-68.8-43.7177.1-64.5176.4-170.700112.4K64 S93 L97 Q98 F99K64-E95 WeakPolarHBondContact CE-OE2 3.49Å; K64-E95 IonicContact NZ-OE2 2.73Å; K64-E95 PolarHBondContact NZ-OE2 3.37Å; S93-E95 VanDerWaalsContact C-N 3.29Å; S93-E95 PolarHBondContact O-N 3.07Å; E95-L97 VanDerWaalsContact C-N 3.34Å; E95-Q98 PolarHBondContact O-N 2.97Å; E95-F99 PolarHBondContact O-N 3.36Å
96E85.3Confident86.8Confident2 Ų244.6 Ų44.61%0.00923%0.228CC..Hα-helixtrans-62.5-41.7175.8-72.1167.1149.600111.2K63 K64 I67 L92 S93 F99 L100K63-E96 IonicContact NZ-OE1 3.39Å; K63-E96 PolarHBondContact NZ-OE1 3.11Å; K63-E96 IonicContact NZ-OE2 3.86Å; K63-E96 PolarHBondContact NZ-OE2 2.91Å; K64-E96 WeakPolarHBondContact CA-OE1 3.37Å; K64-E96 HydrophobicContact CG-CG 4.16Å; I67-E96 HydrophobicContact CD1-CG 4.41Å; I67-E96 HydrophobicContact CG2-CB 4.36Å; I67-E96 HydrophobicContact CG2-CG 4.39Å; L92-E96 HydrophobicContact CB-CB 4.44Å; L92-E96 HydrophobicContact CD2-CB 4.12Å; S93-E96 PolarHBondContact N-OE2 3.49Å; S93-E96 PolarHBondContact O-N 3.5Å; S93-E96 WeakPolarHBondContact OG-CB 3.48Å; S93-E96 WeakPolarHBondContact OG-CG 3.23Å; S93-E96 PolarHBondContact OG-N 2.67Å; S93-E96 PolarHBondContact OG-OE2 3.27Å; E96-F99 PolarHBondContact O-N 2.85Å; E96-L100 VanDerWaalsContact O-CB 3.28Å; E96-L100 WeakPolarHBondContact O-CB 3.47Å; E96-L100 PolarHBondContact O-N 3.11Å
97L87.6Confident86.8Confident4 Ų444.6 Ų44.62%0.02123%0.228CC..Hα-helixtrans-64.9-43.3177.5-178.163.7000111.6L92 S93 E95 L100 V101 L126 K129 C131L92-L97 HydrophobicContact CB-CB 4.33Å; L92-L97 HydrophobicContact CD1-CD1 3.96Å; S93-L97 WeakPolarHBondContact O-CB 3.29Å; S93-L97 PolarHBondContact O-N 3.46Å; E95-L97 VanDerWaalsContact C-N 3.34Å; L97-L100 PolarHBondContact O-N 3.46Å; L97-V101 HydrophobicContact CD1-CG2 4.35Å; L97-V101 WeakPolarHBondContact O-CB 3.4Å; L97-V101 VanDerWaalsContact O-CG2 3.31Å; L97-V101 WeakPolarHBondContact O-CG2 3.23Å; L97-V101 PolarHBondContact O-N 3.06Å; L97-L126 HydrophobicContact CD1-CD1 4.34Å; L97-L126 HydrophobicContact CD1-CD2 4.04Å; L97-L126 HydrophobicContact CD1-CG 3.98Å; L97-K129 HydrophobicContact CD2-CB 3.86Å; L97-C131 HydrophobicContact CD2-CB 4.26Å; L97-C131 HydrophobicContact CG-CB 4.28Å
98Q87.8Confident86.9Confident82 Ų8244.7 Ų44.738%0.38323%0.228SC..Hα-helixtrans-61.2-48.6175.7174.1168.9-10.400111.6A94 E95 L100 V101 D102 Q134A94-Q98 WeakPolarHBondContact O-CB 3.28Å; A94-Q98 PolarHBondContact O-N 3.39Å; E95-Q98 PolarHBondContact O-N 2.97Å; Q98-L100 VanDerWaalsContact C-N 3.27Å; Q98-L100 PolarHBondContact O-N 2.94Å; Q98-V101 PolarHBondContact O-N 3.03Å; Q98-D102 PolarHBondContact O-N 3.07Å; Q98-Q134 VanDerWaalsContact CD-NE2 3.26Å
99F86.4Confident87Confident70 Ų7044.3 Ų44.331%0.30724%0.24SC..Hα-helixtrans-64.4-33.8-179.1-167.4-124.5000112.5N68 C71 E95 E96 K103N68-F99 HydrophobicContact CB-CE1 4.45Å; C71-F99 HydrophobicContact CB-CD1 3.44Å; C71-F99 VanDerWaalsContact CB-CD1 3.44Å; C71-F99 HydrophobicContact CB-CE1 3.38Å; C71-F99 HydrophobicContact CB-CG 4.41Å; C71-F99 HydrophobicContact CB-CZ 4.3Å; E95-F99 PolarHBondContact O-N 3.36Å; E96-F99 PolarHBondContact O-N 2.85Å; F99-K103 WeakPolarHBondContact O-CB 3.29Å; F99-K103 PolarHBondContact O-N 3.1Å; F99-K103 VanDerWaalsContact O-N 3.1Å
100L89.4Confident87.1Confident1 Ų146.4 Ų46.41%0.00524%0.244CC..Hα-helixtrans-66.3-48.2171.4173.962.7000112.3W75 F87 L92 E96 L97 Q98 K103 V104 L126W75-L100 HydrophobicContact CH2-CD1 3.69Å; W75-L100 HydrophobicContact CZ2-CD1 4.36Å; F87-L100 HydrophobicContact CB-CD2 3.53Å; F87-L100 HydrophobicContact CD1-CD2 3.82Å; F87-L100 HydrophobicContact CD2-CD1 3.47Å; F87-L100 VanDerWaalsContact CD2-CD1 3.47Å; F87-L100 HydrophobicContact CD2-CD2 3.78Å; F87-L100 HydrophobicContact CD2-CG 4.29Å; F87-L100 HydrophobicContact CE1-CD2 4.42Å; F87-L100 HydrophobicContact CE2-CD1 3.48Å; F87-L100 VanDerWaalsContact CE2-CD1 3.48Å; F87-L100 HydrophobicContact CE2-CD2 4.4Å; F87-L100 HydrophobicContact CG-CD1 4.05Å; F87-L100 HydrophobicContact CG-CD2 3.46Å; F87-L100 VanDerWaalsContact CG-CD2 3.46Å; F87-L100 HydrophobicContact CG-CG 4.42Å; F87-L100 HydrophobicContact CZ-CD1 4.03Å; L92-L100 HydrophobicContact CD1-CD2 3.73Å; E96-L100 VanDerWaalsContact O-CB 3.28Å; E96-L100 WeakPolarHBondContact O-CB 3.47Å; E96-L100 PolarHBondContact O-N 3.11Å; L97-L100 PolarHBondContact O-N 3.46Å; Q98-L100 VanDerWaalsContact C-N 3.27Å; Q98-L100 PolarHBondContact O-N 2.94Å; L100-K103 WeakPolarHBondContact O-CA 3.39Å; L100-K103 WeakPolarHBondContact O-CB 3.23Å; L100-K103 PolarHBondContact O-N 3.26Å; L100-K103 VanDerWaalsContact O-N 3.07Å; L100-V104 HydrophobicContact CD1-CG2 4.15Å; L100-V104 WeakPolarHBondContact O-CG2 3.37Å; L100-V104 PolarHBondContact O-N 3.3Å; L100-L126 HydrophobicContact CD2-CD2 3.87Å; L100-L126 HydrophobicContact CG-CD2 4.48Å
101V89.5Confident87.1Confident0 Ų047 Ų470%025%0.247CC..Hα-helixtrans-60.8-48.3178.31660000110.7L97 Q98 K103 V104 L105 L123 C131 Q134 I135L97-V101 HydrophobicContact CD1-CG2 4.35Å; L97-V101 WeakPolarHBondContact O-CB 3.4Å; L97-V101 VanDerWaalsContact O-CG2 3.31Å; L97-V101 WeakPolarHBondContact O-CG2 3.23Å; L97-V101 PolarHBondContact O-N 3.06Å; Q98-V101 PolarHBondContact O-N 3.03Å; V101-K103 PolarHBondContact O-N 2.79Å; V101-V104 PolarHBondContact O-N 2.87Å; V101-V104 VanDerWaalsContact O-N 3.15Å; V101-L105 HydrophobicContact CG1-CD1 3.79Å; V101-L105 HydrophobicContact CG1-CG 4.32Å; V101-L105 WeakPolarHBondContact O-CG 3.42Å; V101-L105 PolarHBondContact O-N 3.43Å; V101-L123 HydrophobicContact CG2-CD1 4.29Å; V101-C131 HydrophobicContact CG2-CB 4.12Å; V101-Q134 HydrophobicContact CG1-CB 4.24Å; V101-I135 HydrophobicContact CB-CG1 4.48Å; V101-I135 HydrophobicContact CG1-CG1 3.65Å; V101-I135 HydrophobicContact CG2-CD1 3.98Å; V101-I135 HydrophobicContact CG2-CG1 3.9Å
102D88.5Confident87.4Confident49 Ų4950 Ų5026%0.26226%0.26SS..Hα-helixtrans-60.7-26.5175.5-74.8-27.3000111.8Q98 R106Q98-D102 PolarHBondContact O-N 3.07Å; D102-R106 WeakPolarHBondContact O-CG 3.48Å; D102-R106 PolarHBondContact O-NE 3.02Å; D102-R106 PolarHBondContact O-NH2 3.03Å
103K89.8Confident87.4Confident20 Ų2049.1 Ų49.19%0.08726%0.255CS..Hα-helixtrans-75.5-46.7172.7177.956.7169.9-138.40112.5C71 S73 W75 F99 L100 V101 R106 M107C71-K103 HydrophobicContact CB-CB 4.29Å; C71-K103 HydrophobicContact CB-CG 4.36Å; C71-K103 VanDerWaalsContact O-CD 3.28Å; C71-K103 WeakPolarHBondContact O-CD 3.4Å; C71-K103 VanDerWaalsContact O-CE 3.26Å; C71-K103 WeakPolarHBondContact O-CE 3.31Å; C71-K103 PolarHBondContact O-NZ 3.37Å; S73-K103 PolarHBondContact O-NZ 2.86Å; W75-K103 HydrophobicContact CD2-CG 4.38Å; W75-K103 HydrophobicContact CH2-CG 4.12Å; W75-K103 HydrophobicContact CZ2-CG 3.9Å; W75-K103 HydrophobicContact CZ3-CG 4.44Å; F99-K103 WeakPolarHBondContact O-CB 3.29Å; F99-K103 PolarHBondContact O-N 3.1Å; F99-K103 VanDerWaalsContact O-N 3.1Å; L100-K103 WeakPolarHBondContact O-CA 3.39Å; L100-K103 WeakPolarHBondContact O-CB 3.23Å; L100-K103 PolarHBondContact O-N 3.26Å; L100-K103 VanDerWaalsContact O-N 3.07Å; V101-K103 PolarHBondContact O-N 2.79Å; K103-R106 PolarHBondContact O-N 2.77Å; K103-M107 PolarHBondContact O-N 3.26Å
104V90.3Very high87.5Confident0 Ų053.8 Ų53.80%027%0.272CS..Hα-helixtrans-64-43.5-179.4175.20000111W75 L100 V101 R106 M107 F108 L119 L123W75-V104 HydrophobicContact CH2-CG2 4.31Å; W75-V104 HydrophobicContact CZ3-CG2 4.02Å; L100-V104 HydrophobicContact CD1-CG2 4.15Å; L100-V104 WeakPolarHBondContact O-CG2 3.37Å; L100-V104 PolarHBondContact O-N 3.3Å; V101-V104 PolarHBondContact O-N 2.87Å; V101-V104 VanDerWaalsContact O-N 3.15Å; V104-R106 VanDerWaalsContact C-N 3.3Å; V104-R106 PolarHBondContact O-N 3.09Å; V104-M107 WeakPolarHBondContact O-CB 3.46Å; V104-M107 PolarHBondContact O-N 3.01Å; V104-F108 HydrophobicContact CG1-CE1 4.25Å; V104-L119 HydrophobicContact CG1-CD1 3.96Å; V104-L119 HydrophobicContact CG1-CD2 4.11Å; V104-L119 HydrophobicContact CG1-CG 4.18Å; V104-L123 HydrophobicContact CB-CD1 4.33Å; V104-L123 HydrophobicContact CG1-CD1 4.09Å; V104-L123 HydrophobicContact CG1-CD2 4.32Å
105L89.9Confident87.7Confident30 Ų3052.5 Ų52.516%0.15725%0.253CS..Hα-helixtrans-59.2-39.4176.3-68.4170.7000112.2V101 M107 F108 L123V101-L105 HydrophobicContact CG1-CD1 3.79Å; V101-L105 HydrophobicContact CG1-CG 4.32Å; V101-L105 WeakPolarHBondContact O-CG 3.42Å; V101-L105 PolarHBondContact O-N 3.43Å; L105-M107 PolarHBondContact O-N 3.38Å; L105-F108 HydrophobicContact CD2-CD2 4.35Å; L105-F108 HydrophobicContact CD2-CE2 3.7Å; L105-F108 HydrophobicContact CD2-CZ 3.85Å; L105-F108 WeakPolarHBondContact O-CB 3.33Å; L105-F108 PolarHBondContact O-N 3.01Å; L105-F108 VanDerWaalsContact O-N 3.16Å; L105-L123 HydrophobicContact CD2-CD2 3.93Å
106R88.9Confident88Confident138 Ų13846.6 Ų46.652%0.52123%0.225SC..THydrogen-bonded Turntrans-69.4-5174.3-78-179.3-68.6168.2-3.3114.9D102 K103 V104D102-R106 WeakPolarHBondContact O-CG 3.48Å; D102-R106 PolarHBondContact O-NE 3.02Å; D102-R106 PolarHBondContact O-NH2 3.03Å; K103-R106 PolarHBondContact O-N 2.77Å; V104-R106 VanDerWaalsContact C-N 3.3Å; V104-R106 PolarHBondContact O-N 3.09Å
107M88.6Confident88.4Confident9 Ų947 Ų474%0.04423%0.227CC..THydrogen-bonded Turntrans-93-16.1171.5-64.5-58-60.300112.9W75 V80 K103 V104 L105 S109 K110 M111W75-M107 HydrophobicContact CB-CE 4.18Å; W75-M107 HydrophobicContact CB-SD 4.32Å; W75-M107 HydrophobicContact CE3-CG 4.49Å; W75-M107 WeakPolarHBondContact O-CE 3.21Å; V80-M107 HydrophobicContact CG1-CB 4.17Å; V80-M107 HydrophobicContact CG1-CG 4.36Å; V80-M107 HydrophobicContact CG2-CB 4.33Å; V80-M107 HydrophobicContact CG2-CE 3.8Å; V80-M107 HydrophobicContact CG2-CG 4.2Å; K103-M107 PolarHBondContact O-N 3.26Å; V104-M107 WeakPolarHBondContact O-CB 3.46Å; V104-M107 PolarHBondContact O-N 3.01Å; L105-M107 PolarHBondContact O-N 3.38Å; M107-S109 VanDerWaalsContact C-N 3.31Å; M107-S109 PolarHBondContact O-N 3.25Å; M107-K110 HydrophobicContact CE-CB 4.37Å; M107-K110 HydrophobicContact CE-CD 4.36Å; M107-K110 PolarHBondContact O-N 3.19Å; M107-K110 HydrophobicContact SD-CD 4.29Å; M107-M111 HydrophobicContact CB-SD 4.31Å; M107-M111 WeakPolarHBondContact O-CG 3.47Å; M107-M111 PolarHBondContact O-N 2.95Å
108F89.3Confident88.7Confident1 Ų149.2 Ų49.20%0.00424%0.242CC..G310 helixtrans-57.4-42.3-179.7-71.24.3000112V104 L105 K110 M111 L119 V120 L123 I139 Y142V104-F108 HydrophobicContact CG1-CE1 4.25Å; L105-F108 HydrophobicContact CD2-CD2 4.35Å; L105-F108 HydrophobicContact CD2-CE2 3.7Å; L105-F108 HydrophobicContact CD2-CZ 3.85Å; L105-F108 WeakPolarHBondContact O-CB 3.33Å; L105-F108 PolarHBondContact O-N 3.01Å; L105-F108 VanDerWaalsContact O-N 3.16Å; F108-K110 PolarHBondContact O-N 3.13Å; F108-M111 PolarHBondContact O-N 2.92Å; F108-L119 HydrophobicContact CD1-CD2 3.77Å; F108-L119 HydrophobicContact CE1-CD2 3.62Å; F108-L119 HydrophobicContact CE1-CG 3.97Å; F108-V120 HydrophobicContact CE1-CG2 4.47Å; F108-V120 HydrophobicContact CE2-CG2 4.14Å; F108-V120 HydrophobicContact CZ-CG2 3.76Å; F108-L123 HydrophobicContact CE1-CD2 4.44Å; F108-L123 HydrophobicContact CZ-CD2 3.87Å; F108-I139 HydrophobicContact CE2-CG1 4.01Å; F108-I139 HydrophobicContact CZ-CG1 4.34Å; F108-Y142 HydrophobicContact CB-CD1 4.43Å; F108-Y142 HydrophobicContact CB-CD2 3.75Å; F108-Y142 HydrophobicContact CB-CE2 3.87Å; F108-Y142 HydrophobicContact CB-CG 4.05Å; F108-Y142 HydrophobicContact CD2-CD1 4.05Å; F108-Y142 HydrophobicContact CD2-CD2 4.36Å; F108-Y142 AromaticContact CD2-CG 3.84Å; F108-Y142 HydrophobicContact CD2-CG 3.84Å; F108-Y142 HydrophobicContact CG-CG 4.47Å
109S85.8Confident88.9Confident84 Ų8445.3 Ų45.359%0.58722%0.224SC*.G310 helixtrans-74.110.9176.963.10000115.2M107M107-S109 VanDerWaalsContact C-N 3.31Å; M107-S109 PolarHBondContact O-N 3.25Å
110K86.2Confident89.3Confident139 Ų13942 Ų4260%0.60421%0.21SC*.G310 helixtrans-133.15.2-177.2-57-175.2177.4-179.20113.5M107 F108M107-K110 HydrophobicContact CE-CB 4.37Å; M107-K110 HydrophobicContact CE-CD 4.36Å; M107-K110 PolarHBondContact O-N 3.19Å; M107-K110 HydrophobicContact SD-CD 4.29Å; F108-K110 PolarHBondContact O-N 3.13Å
111M86Confident89.5Confident15 Ų1545.8 Ų45.87%0.07422%0.224CC..SBendtrans-116.8153.1-179.7-69.8178.464.800108.8P77 V80 I81 M107 F108 E115 L119P77-M111 HydrophobicContact CB-CG 4.19Å; V80-M111 HydrophobicContact CB-CE 4.24Å; V80-M111 HydrophobicContact CB-SD 3.82Å; V80-M111 HydrophobicContact CG1-SD 3.88Å; V80-M111 HydrophobicContact CG2-SD 4Å; I81-M111 HydrophobicContact CD1-CE 4.39Å; I81-M111 HydrophobicContact CG1-CE 4.18Å; M107-M111 HydrophobicContact CB-SD 4.31Å; M107-M111 WeakPolarHBondContact O-CG 3.47Å; M107-M111 PolarHBondContact O-N 2.95Å; F108-M111 PolarHBondContact O-N 2.92Å; M111-E115 HydrophobicContact CE-CB 3.65Å; M111-E115 WeakPolarHBondContact CE-OE2 3.24Å; M111-L119 HydrophobicContact CE-CB 4.5Å; M111-L119 HydrophobicContact CE-CD2 3.99Å; M111-L119 HydrophobicContact SD-CD2 3.49Å; M111-L119 WeakPolarHBondContact SD-CD2 3.47Å
112D85.7Confident89.6Confident123 Ų12347.3 Ų47.366%0.65823%0.232SC*.  trans-66.3142.6174.7-65.9-33.4000109.6Q114 E115D112-Q114 PolarHBondContact O-N 3.48Å; D112-E115 HydrophobicContact CB-CG 4.39Å; D112-E115 WeakPolarHBondContact O-CB 3.45Å; D112-E115 PolarHBondContact O-N 2.92Å
113L85.3Confident89.7Confident16 Ų1645 Ų458%0.08422%0.219CC..G310 helixtrans-54.3-30.2-174.3-67.7168.2000113.8E115 I116 P117 I167 L172 V175L113-E115 VanDerWaalsContact C-N 3.3Å; L113-E115 PolarHBondContact O-N 3.07Å; L113-I116 HydrophobicContact CD2-CD1 4Å; L113-I116 PolarHBondContact O-N 3.13Å; L113-P117 WeakPolarHBondContact O-CD 3.37Å; L113-I167 HydrophobicContact CD1-CB 4.18Å; L113-I167 HydrophobicContact CD1-CD1 3.94Å; L113-I167 HydrophobicContact CD1-CG1 3.84Å; L113-I167 HydrophobicContact CD1-CG2 3.31Å; L113-I167 HydrophobicContact CD2-CD1 4.42Å; L113-I167 HydrophobicContact CG-CD1 4.49Å; L113-L172 HydrophobicContact CD2-CD1 4.2Å; L113-V175 HydrophobicContact CB-CG2 4.21Å; L113-V175 WeakPolarHBondContact O-CG1 3.48Å; L113-V175 WeakPolarHBondContact O-CG2 3.45Å
114Q87.8Confident89.8Confident139 Ų13944.4 Ų44.465%0.6522%0.217SC*.G310 helixtrans-73.1-20.9178.3-59.8-173.47.900113.2D112 P118D112-Q114 PolarHBondContact O-N 3.48Å; Q114-P118 WeakPolarHBondContact O-CD 3.49Å
115E88.8Confident89.8Confident56 Ų5647.1 Ų47.126%0.26223%0.231SC..G310 helixtrans-84.9-12.7174.9-56.9-167.5137.100112.8I81 M111 D112 L113 P118 L119I81-E115 HydrophobicContact CD1-CB 4.46Å; M111-E115 HydrophobicContact CE-CB 3.65Å; M111-E115 WeakPolarHBondContact CE-OE2 3.24Å; D112-E115 HydrophobicContact CB-CG 4.39Å; D112-E115 WeakPolarHBondContact O-CB 3.45Å; D112-E115 PolarHBondContact O-N 2.92Å; L113-E115 VanDerWaalsContact C-N 3.3Å; L113-E115 PolarHBondContact O-N 3.07Å; E115-P118 WeakPolarHBondContact O-CD 3.38Å; E115-P118 VanDerWaalsContact O-CG 3.31Å; E115-P118 WeakPolarHBondContact O-CG 3.26Å; E115-L119 WeakPolarHBondContact O-CB 3.47Å; E115-L119 PolarHBondContact O-N 3.09Å
116I92.1Very high89.8Confident0 Ų045.7 Ų45.70%022%0.224CC..Hα-helixtrans-69.1-48.2-179.7-57.4-177.9000112.2L113 L119 V120 Y142 F143L113-I116 HydrophobicContact CD2-CD1 4Å; L113-I116 PolarHBondContact O-N 3.13Å; I116-L119 PolarHBondContact O-N 3.44Å; I116-L119 VanDerWaalsContact O-N 3.17Å; I116-V120 HydrophobicContact CG2-CG2 3.9Å; I116-V120 WeakPolarHBondContact O-CB 3.35Å; I116-V120 WeakPolarHBondContact O-CG2 3.26Å; I116-V120 PolarHBondContact O-N 3.38Å; I116-Y142 HydrophobicContact CD1-CE1 3.56Å; I116-Y142 WeakPolarHBondContact CD1-OH 3.4Å; I116-F143 HydrophobicContact CG2-CZ 4.23Å
117P93.9Very high89.8Confident10 Ų1039.2 Ų39.27%0.06520%0.2CC..Hα-helixtrans-53.9-47.3176.7-23.630.6000115.5L113 V120 Y121 V175 T178 V179 H182L113-P117 WeakPolarHBondContact O-CD 3.37Å; P117-V120 PolarHBondContact O-N 2.81Å; P117-Y121 PolarHBondContact O-N 3.16Å; P117-V175 HydrophobicContact CG-CG1 4Å; P117-V175 HydrophobicContact CG-CG2 4.48Å; P117-T178 HydrophobicContact CB-CG2 3.72Å; P117-T178 HydrophobicContact CG-CG2 4.18Å; P117-V179 HydrophobicContact CB-CG2 4.23Å; P117-V179 HydrophobicContact CG-CG2 4.12Å; P117-H182 PolarHBondContact O-CE1 3.15Å; P117-H182 PolarHBondContact O-ND1 3.3Å
118P92.4Very high89.6Confident52 Ų5242.4 Ų42.434%0.33823%0.227SC..Hα-helixtrans-69.8-32.1176.525.9-32.9000112.8I81 Q114 E115 Y121 Q122I81-P118 HydrophobicContact CD1-CB 4.33Å; I81-P118 HydrophobicContact CD1-CG 4Å; Q114-P118 WeakPolarHBondContact O-CD 3.49Å; E115-P118 WeakPolarHBondContact O-CD 3.38Å; E115-P118 VanDerWaalsContact O-CG 3.31Å; E115-P118 WeakPolarHBondContact O-CG 3.26Å; P118-Y121 PolarHBondContact O-N 3.46Å; P118-Q122 PolarHBondContact O-N 2.94Å; P118-Q122 VanDerWaalsContact O-N 3.15Å
119L93Very high89.4Confident0 Ų046.3 Ų46.30%024%0.244CC..Hα-helixtrans-66.4-45.3173.1-179.258.2000111.9V80 I81 T84 V104 F108 M111 E115 I116 Y121 Q122 L123V80-L119 HydrophobicContact CG1-CD1 3.9Å; V80-L119 HydrophobicContact CG1-CD2 3.76Å; I81-L119 HydrophobicContact CG1-CB 4.1Å; I81-L119 HydrophobicContact CG1-CD1 4.29Å; T84-L119 HydrophobicContact CG2-CD1 4.18Å; T84-L119 WeakPolarHBondContact OG1-CD1 3.43Å; V104-L119 HydrophobicContact CG1-CD1 3.96Å; V104-L119 HydrophobicContact CG1-CD2 4.11Å; V104-L119 HydrophobicContact CG1-CG 4.18Å; F108-L119 HydrophobicContact CD1-CD2 3.77Å; F108-L119 HydrophobicContact CE1-CD2 3.62Å; F108-L119 HydrophobicContact CE1-CG 3.97Å; M111-L119 HydrophobicContact CE-CB 4.5Å; M111-L119 HydrophobicContact CE-CD2 3.99Å; M111-L119 HydrophobicContact SD-CD2 3.49Å; M111-L119 WeakPolarHBondContact SD-CD2 3.47Å; E115-L119 WeakPolarHBondContact O-CB 3.47Å; E115-L119 PolarHBondContact O-N 3.09Å; I116-L119 PolarHBondContact O-N 3.44Å; I116-L119 VanDerWaalsContact O-N 3.17Å; L119-Y121 VanDerWaalsContact C-N 3.27Å; L119-Y121 PolarHBondContact O-N 3.18Å; L119-Q122 PolarHBondContact O-N 3.35Å; L119-Q122 VanDerWaalsContact O-N 3.16Å; L119-L123 WeakPolarHBondContact O-CB 3.43Å; L119-L123 PolarHBondContact O-N 2.73Å
120V94.3Very high89.4Confident0 Ų043.4 Ų43.40%023%0.228CC..Hα-helixtrans-59.6-40.2175.51710000110.6F108 I116 P117 Q122 L123 L124 I139 V179 V183F108-V120 HydrophobicContact CE1-CG2 4.47Å; F108-V120 HydrophobicContact CE2-CG2 4.14Å; F108-V120 HydrophobicContact CZ-CG2 3.76Å; I116-V120 HydrophobicContact CG2-CG2 3.9Å; I116-V120 WeakPolarHBondContact O-CB 3.35Å; I116-V120 WeakPolarHBondContact O-CG2 3.26Å; I116-V120 PolarHBondContact O-N 3.38Å; P117-V120 PolarHBondContact O-N 2.81Å; V120-Q122 PolarHBondContact O-N 3Å; V120-L123 PolarHBondContact O-N 2.94Å; V120-L124 HydrophobicContact CG1-CD1 3.77Å; V120-L124 HydrophobicContact CG1-CG 4.15Å; V120-L124 WeakPolarHBondContact O-CB 3.3Å; V120-L124 VanDerWaalsContact O-CG 3.24Å; V120-L124 WeakPolarHBondContact O-CG 3.3Å; V120-L124 PolarHBondContact O-N 3.01Å; V120-I139 HydrophobicContact CG1-CD1 3.71Å; V120-I139 HydrophobicContact CG1-CG1 4.32Å; V120-I139 HydrophobicContact CG2-CG1 4.32Å; V120-V179 HydrophobicContact CB-CG2 4.49Å; V120-V179 HydrophobicContact CG1-CG1 4.07Å; V120-V179 HydrophobicContact CG2-CG2 4.34Å; V120-V183 HydrophobicContact CG1-CG2 4.5Å
121Y93.3Very high89.4Confident80 Ų8038.3 Ų38.331%0.31421%0.209SC..Hα-helixtrans-58.5-46.9174-177.8-104.4000112.5P117 P118 L119 L123 L124 L125 H182 F185P117-Y121 PolarHBondContact O-N 3.16Å; P118-Y121 PolarHBondContact O-N 3.46Å; L119-Y121 VanDerWaalsContact C-N 3.27Å; L119-Y121 PolarHBondContact O-N 3.18Å; Y121-L123 PolarHBondContact O-N 3.24Å; Y121-L124 PolarHBondContact O-N 3.39Å; Y121-L125 HydrophobicContact CD1-CD1 4.13Å; Y121-L125 HydrophobicContact CE1-CD1 3.61Å; Y121-L125 HydrophobicContact CE1-CG 4.32Å; Y121-L125 WeakPolarHBondContact O-CG 3.48Å; Y121-L125 PolarHBondContact O-N 2.97Å; Y121-H182 HydrophobicContact CD2-CB 4.49Å; Y121-F185 HydrophobicContact CE2-CD1 4.31Å; Y121-F185 HydrophobicContact CE2-CE1 4.42Å
122Q91.1Very high89.6Confident33 Ų3339 Ų3915%0.15421%0.212CC..Hα-helixtrans-66-36.4176.2-61.5-57.8-23.600112.6I81 T84 T85 P118 L119 V120 L125 L126I81-Q122 HydrophobicContact CG2-CG 4.17Å; T84-Q122 HydrophobicContact CG2-CB 3.98Å; T85-Q122 WeakPolarHBondContact OG1-CG 3.19Å; P118-Q122 PolarHBondContact O-N 2.94Å; P118-Q122 VanDerWaalsContact O-N 3.15Å; L119-Q122 PolarHBondContact O-N 3.35Å; L119-Q122 VanDerWaalsContact O-N 3.16Å; V120-Q122 PolarHBondContact O-N 3Å; Q122-L125 PolarHBondContact O-N 3.46Å; Q122-L126 PolarHBondContact O-N 3.4Å
123L92.4Very high89.7Confident0 Ų037.8 Ų37.80%020%0.201CC..Hα-helixtrans-66.5-38.3176.3-171.564000111.9V101 V104 L105 F108 L119 V120 Y121 L126 S127 I135V101-L123 HydrophobicContact CG2-CD1 4.29Å; V104-L123 HydrophobicContact CB-CD1 4.33Å; V104-L123 HydrophobicContact CG1-CD1 4.09Å; V104-L123 HydrophobicContact CG1-CD2 4.32Å; L105-L123 HydrophobicContact CD2-CD2 3.93Å; F108-L123 HydrophobicContact CE1-CD2 4.44Å; F108-L123 HydrophobicContact CZ-CD2 3.87Å; L119-L123 WeakPolarHBondContact O-CB 3.43Å; L119-L123 PolarHBondContact O-N 2.73Å; V120-L123 PolarHBondContact O-N 2.94Å; Y121-L123 PolarHBondContact O-N 3.24Å; L123-L126 HydrophobicContact CD1-CD2 4.43Å; L123-L126 WeakPolarHBondContact O-CB 3.42Å; L123-L126 PolarHBondContact O-N 2.99Å; L123-S127 PolarHBondContact O-N 3.41Å; L123-I135 HydrophobicContact CD1-CD1 4.26Å; L123-I135 HydrophobicContact CD1-CG1 4.17Å; L123-I135 HydrophobicContact CD2-CG1 4.44Å; L123-I135 HydrophobicContact CD2-CG2 3.92Å; L123-I135 HydrophobicContact CG-CD1 4.31Å; L123-I135 HydrophobicContact CG-CG1 4.09Å; L123-I135 HydrophobicContact CG-CG2 3.79Å
124L91.8Very high89.8Confident7 Ų738.8 Ų38.84%0.03721%0.205CC..Hα-helixtrans-65.4-39.7173.1-71.6165.6000111.8V120 Y121 L126 S127 I139 H182 V183 A186 L193V120-L124 HydrophobicContact CG1-CD1 3.77Å; V120-L124 HydrophobicContact CG1-CG 4.15Å; V120-L124 WeakPolarHBondContact O-CB 3.3Å; V120-L124 VanDerWaalsContact O-CG 3.24Å; V120-L124 WeakPolarHBondContact O-CG 3.3Å; V120-L124 PolarHBondContact O-N 3.01Å; Y121-L124 PolarHBondContact O-N 3.39Å; L124-L126 VanDerWaalsContact C-N 3.31Å; L124-L126 PolarHBondContact O-N 2.88Å; L124-S127 VanDerWaalsContact O-CB 3.32Å; L124-S127 WeakPolarHBondContact O-CB 3.43Å; L124-S127 PolarHBondContact O-N 3.28Å; L124-S127 PolarHBondContact O-OG 3.48Å; L124-I139 HydrophobicContact CD2-CD1 4.47Å; L124-H182 HydrophobicContact CD1-CB 4.09Å; L124-V183 HydrophobicContact CD1-CB 4.36Å; L124-V183 HydrophobicContact CD1-CG2 3.87Å; L124-V183 HydrophobicContact CD2-CG2 4.29Å; L124-A186 HydrophobicContact CB-CB 4Å; L124-A186 HydrophobicContact CD1-CB 4.11Å; L124-A186 HydrophobicContact CD2-CB 4.13Å; L124-A186 HydrophobicContact CG-CB 4.32Å; L124-L193 HydrophobicContact CD2-CD1 4.08Å; L124-L193 HydrophobicContact CD2-CD2 4.47Å
125L89.5Confident90Very high58 Ų5832.2 Ų32.230%0.30417%0.174SC..Hα-helixtrans-64.2-35.8172-67.2178.5000112.2Y121 Q122 S127Y121-L125 HydrophobicContact CD1-CD1 4.13Å; Y121-L125 HydrophobicContact CE1-CD1 3.61Å; Y121-L125 HydrophobicContact CE1-CG 4.32Å; Y121-L125 WeakPolarHBondContact O-CG 3.48Å; Y121-L125 PolarHBondContact O-N 2.97Å; Q122-L125 PolarHBondContact O-N 3.46Å; L125-S127 VanDerWaalsContact C-N 3.29Å; L125-S127 PolarHBondContact O-N 3.19Å
126L89Confident90.1Very high0 Ų029.7 Ų29.70%016%0.163CC..Hα-helixtrans-67.3-29.4175.2-171.167.6000112.4L97 L100 Q122 L123 L124 A128 K129L97-L126 HydrophobicContact CD1-CD1 4.34Å; L97-L126 HydrophobicContact CD1-CD2 4.04Å; L97-L126 HydrophobicContact CD1-CG 3.98Å; L100-L126 HydrophobicContact CD2-CD2 3.87Å; L100-L126 HydrophobicContact CG-CD2 4.48Å; Q122-L126 PolarHBondContact O-N 3.4Å; L123-L126 HydrophobicContact CD1-CD2 4.43Å; L123-L126 WeakPolarHBondContact O-CB 3.42Å; L123-L126 PolarHBondContact O-N 2.99Å; L124-L126 VanDerWaalsContact C-N 3.31Å; L124-L126 PolarHBondContact O-N 2.88Å; L126-A128 PolarHBondContact O-N 3.39Å; L126-A128 VanDerWaalsContact O-N 3.07Å; L126-K129 HydrophobicContact CD1-CD 4Å; L126-K129 WeakPolarHBondContact O-CB 3.48Å; L126-K129 PolarHBondContact O-N 3.04Å
127S88.9Confident89.9Confident2 Ų232.5 Ų32.51%0.01418%0.177CC..G310 helixtrans-59.7-19.5-179.482.50000114.4L123 L124 L125 K129 G130 K132 I135 L193L123-S127 PolarHBondContact O-N 3.41Å; L124-S127 VanDerWaalsContact O-CB 3.32Å; L124-S127 WeakPolarHBondContact O-CB 3.43Å; L124-S127 PolarHBondContact O-N 3.28Å; L124-S127 PolarHBondContact O-OG 3.48Å; L125-S127 VanDerWaalsContact C-N 3.29Å; L125-S127 PolarHBondContact O-N 3.19Å; S127-K129 PolarHBondContact O-N 3.05Å; S127-K129 VanDerWaalsContact O-N 3.12Å; S127-G130 WeakPolarHBondContact CA-O 3.44Å; S127-G130 PolarHBondContact O-N 3.05Å; S127-G130 VanDerWaalsContact O-O 3.06Å; S127-K132 WeakPolarHBondContact O-CE 3.46Å; S127-K132 WeakPolarHBondContact O-CG 3.46Å; S127-I135 VanDerWaalsContact CB-CD1 3.46Å; S127-L193 VanDerWaalsContact OG-CD1 3.25Å; S127-L193 WeakPolarHBondContact OG-CD1 3.46Å
128A85.4Confident89.6Confident75 Ų7532.8 Ų32.862%0.6218%0.183SC*.G310 helixtrans-57.4-23.2171.200000113L126L126-A128 PolarHBondContact O-N 3.39Å; L126-A128 VanDerWaalsContact O-N 3.07Å
129K84.7Confident89.6Confident83 Ų8330.4 Ų30.436%0.36117%0.167SC..G310 helixtrans-83.8-15.4175.2-61.7-172.9179.7-179.40114.6F87 R88 V90 L97 L126 S127F87-K129 PolarHBondContact O-NZ 3.03Å; R88-K129 WeakPolarHBondContact O-CE 3.5Å; R88-K129 PolarHBondContact O-NZ 3.18Å; V90-K129 PolarHBondContact O-NZ 3.24Å; L97-K129 HydrophobicContact CD2-CB 3.86Å; L126-K129 HydrophobicContact CD1-CD 4Å; L126-K129 WeakPolarHBondContact O-CB 3.48Å; L126-K129 PolarHBondContact O-N 3.04Å; S127-K129 PolarHBondContact O-N 3.05Å; S127-K129 VanDerWaalsContact O-N 3.12Å
130G86.4Confident89.5Confident24 Ų2430.7 Ų30.725%0.24717%0.169CC..SBendtrans140-167.7-173.400000113.4S127 K132S127-G130 WeakPolarHBondContact CA-O 3.44Å; S127-G130 PolarHBondContact O-N 3.05Å; S127-G130 VanDerWaalsContact O-O 3.06Å; G130-K132 PolarHBondContact O-N 3.2Å
131C86.6Confident89.3Confident31 Ų3133.8 Ų33.821%0.20919%0.19CC..  trans54.318.1177.5-65.40000116.3L97 V101 K133 Q134 I135L97-C131 HydrophobicContact CD2-CB 4.26Å; L97-C131 HydrophobicContact CG-CB 4.28Å; V101-C131 HydrophobicContact CG2-CB 4.12Å; C131-K133 VanDerWaalsContact C-N 3.3Å; C131-K133 PolarHBondContact O-N 3.36Å; C131-K133 VanDerWaalsContact O-N 3.15Å; C131-Q134 PolarHBondContact O-N 3.45Å; C131-Q134 PolarHBondContact SG-OE1 2.98Å; C131-I135 PolarHBondContact O-N 2.84Å; C131-I135 VanDerWaalsContact O-N 3.07Å
132K90.2Very high89.1Confident30 Ų3031.1 Ų31.113%0.1318%0.18CC..Hα-helixtrans-47.7-46.4-176.4-58.6-178.4-173.3-175.60113.1S127 G130 L136 D190 E192S127-K132 WeakPolarHBondContact O-CE 3.46Å; S127-K132 WeakPolarHBondContact O-CG 3.46Å; G130-K132 PolarHBondContact O-N 3.2Å; K132-L136 WeakPolarHBondContact O-CG 3.4Å; K132-L136 PolarHBondContact O-N 2.98Å; K132-L136 VanDerWaalsContact O-N 3.12Å; K132-D190 WeakPolarHBondContact CE-OD2 3.5Å; K132-D190 IonicContact NZ-OD1 2.77Å; K132-D190 IonicContact NZ-OD2 3.66Å; K132-D190 PolarHBondContact NZ-OD2 3.18Å; K132-E192 HydrophobicContact CD-CB 4.1Å; K132-E192 IonicContact NZ-OE2 2.66Å; K132-E192 PolarHBondContact NZ-OE2 3.36Å
133K87.7Confident89.1Confident98 Ų9829.6 Ų29.643%0.42617%0.172SC..Hα-helixtrans-58.5-51175.1-179.1173174.4-178.90112.6C131 I135 L136 D137 E196C131-K133 VanDerWaalsContact C-N 3.3Å; C131-K133 PolarHBondContact O-N 3.36Å; C131-K133 VanDerWaalsContact O-N 3.15Å; K133-I135 VanDerWaalsContact C-N 3.31Å; K133-I135 PolarHBondContact O-N 2.85Å; K133-L136 PolarHBondContact O-N 3.04Å; K133-D137 WeakPolarHBondContact CE-OD2 3.4Å; K133-D137 VanDerWaalsContact CG-OD2 3.23Å; K133-D137 WeakPolarHBondContact CG-OD2 3.45Å; K133-D137 WeakPolarHBondContact O-CB 3.42Å; K133-D137 PolarHBondContact O-N 3.2Å; K133-E196 HydrophobicContact CB-CG 3.73Å; K133-E196 HydrophobicContact CG-CG 4.49Å
134Q87.5Confident88.9Confident36 Ų3632.1 Ų32.117%0.16818%0.182CC..Hα-helixtrans-64.2-36.9-176.1-68.1170.6-18.700112.1Q98 V101 C131 G138Q98-Q134 VanDerWaalsContact CD-NE2 3.26Å; V101-Q134 HydrophobicContact CG1-CB 4.24Å; C131-Q134 PolarHBondContact O-N 3.45Å; C131-Q134 PolarHBondContact SG-OE1 2.98Å; Q134-G138 PolarHBondContact O-N 3.18Å
135I91.3Very high88.7Confident1 Ų134.6 Ų34.61%0.00520%0.195CC..Hα-helixtrans-64-48.9175.3-68.5167.8000110.4V101 L123 S127 C131 K133 G138 I139V101-I135 HydrophobicContact CB-CG1 4.48Å; V101-I135 HydrophobicContact CG1-CG1 3.65Å; V101-I135 HydrophobicContact CG2-CD1 3.98Å; V101-I135 HydrophobicContact CG2-CG1 3.9Å; L123-I135 HydrophobicContact CD1-CD1 4.26Å; L123-I135 HydrophobicContact CD1-CG1 4.17Å; L123-I135 HydrophobicContact CD2-CG1 4.44Å; L123-I135 HydrophobicContact CD2-CG2 3.92Å; L123-I135 HydrophobicContact CG-CD1 4.31Å; L123-I135 HydrophobicContact CG-CG1 4.09Å; L123-I135 HydrophobicContact CG-CG2 3.79Å; S127-I135 VanDerWaalsContact CB-CD1 3.46Å; C131-I135 PolarHBondContact O-N 2.84Å; C131-I135 VanDerWaalsContact O-N 3.07Å; K133-I135 VanDerWaalsContact C-N 3.31Å; K133-I135 PolarHBondContact O-N 2.85Å; I135-G138 PolarHBondContact O-N 3.36Å; I135-I139 HydrophobicContact CG2-CD1 3.83Å; I135-I139 WeakPolarHBondContact O-CD1 3.39Å; I135-I139 VanDerWaalsContact O-CG1 3.25Å; I135-I139 WeakPolarHBondContact O-CG1 3.25Å; I135-I139 PolarHBondContact O-N 3.04Å
136L90.3Very high88.5Confident4 Ų432.7 Ų32.72%0.02119%0.185CC..Hα-helixtrans-63.9-51.6178.8-74.7172.6000112.6K132 K133 G138 I139 V140 V183 L193 L197K132-L136 WeakPolarHBondContact O-CG 3.4Å; K132-L136 PolarHBondContact O-N 2.98Å; K132-L136 VanDerWaalsContact O-N 3.12Å; K133-L136 PolarHBondContact O-N 3.04Å; L136-G138 PolarHBondContact O-N 3.24Å; L136-I139 PolarHBondContact O-N 2.95Å; L136-V140 WeakPolarHBondContact O-CG2 3.26Å; L136-V140 PolarHBondContact O-N 3.13Å; L136-V183 HydrophobicContact CD2-CG1 4.03Å; L136-L193 HydrophobicContact CD1-CD2 3.91Å; L136-L193 HydrophobicContact CD1-CG 4.36Å; L136-L193 HydrophobicContact CD2-CD2 3.76Å; L136-L193 HydrophobicContact CG-CD2 4.12Å; L136-L197 HydrophobicContact CB-CD1 4.41Å; L136-L197 HydrophobicContact CD1-CB 3.81Å; L136-L197 HydrophobicContact CD1-CD1 3.98Å; L136-L197 HydrophobicContact CD2-CD1 3.95Å; L136-L197 HydrophobicContact CG-CD1 4.34Å
137D87.8Confident88.3Confident58 Ų5832.9 Ų32.931%0.3119%0.186SC..Hα-helixtrans-58.3-39.2178.1-65.8-10.1000110.5K133 S141K133-D137 WeakPolarHBondContact CE-OD2 3.4Å; K133-D137 VanDerWaalsContact CG-OD2 3.23Å; K133-D137 WeakPolarHBondContact CG-OD2 3.45Å; K133-D137 WeakPolarHBondContact O-CB 3.42Å; K133-D137 PolarHBondContact O-N 3.2Å; D137-S141 WeakPolarHBondContact O-CB 3.38Å; D137-S141 PolarHBondContact O-N 2.94Å
138G88.8Confident88Confident17 Ų1736.7 Ų36.718%0.17521%0.206CC..Hα-helixtrans-67.8-40.5177.800000114.2Q134 I135 L136 Y142Q134-G138 PolarHBondContact O-N 3.18Å; I135-G138 PolarHBondContact O-N 3.36Å; L136-G138 PolarHBondContact O-N 3.24Å; G138-Y142 WeakPolarHBondContact O-CB 2.96Å; G138-Y142 PolarHBondContact O-N 3.1Å
139I91.8Very high87.9Confident2 Ų238.8 Ų38.81%0.0120%0.198CC..Hα-helixtrans-65.6-48.1174.5-66.5159.4000110.1F108 V120 L124 I135 L136 S141 Y142 F143 V179 F211F108-I139 HydrophobicContact CE2-CG1 4.01Å; F108-I139 HydrophobicContact CZ-CG1 4.34Å; V120-I139 HydrophobicContact CG1-CD1 3.71Å; V120-I139 HydrophobicContact CG1-CG1 4.32Å; V120-I139 HydrophobicContact CG2-CG1 4.32Å; L124-I139 HydrophobicContact CD2-CD1 4.47Å; I135-I139 HydrophobicContact CG2-CD1 3.83Å; I135-I139 WeakPolarHBondContact O-CD1 3.39Å; I135-I139 VanDerWaalsContact O-CG1 3.25Å; I135-I139 WeakPolarHBondContact O-CG1 3.25Å; I135-I139 PolarHBondContact O-N 3.04Å; L136-I139 PolarHBondContact O-N 2.95Å; I139-S141 PolarHBondContact O-N 3.17Å; I139-Y142 PolarHBondContact O-N 3.14Å; I139-F143 HydrophobicContact CG2-CD2 4.16Å; I139-F143 HydrophobicContact CG2-CE2 4.29Å; I139-F143 WeakPolarHBondContact O-CD2 3.47Å; I139-F143 PolarHBondContact O-N 3.37Å; I139-V179 HydrophobicContact CG2-CG1 3.94Å; I139-F211 HydrophobicContact CG2-CE1 4.21Å; I139-F211 HydrophobicContact CG2-CZ 4.09Å
140V90.8Very high87.6Confident6 Ų635.5 Ų35.54%0.03618%0.184CC..Hα-helixtrans-63.8-42.4179.8172.80000111.3L136 Y142 F143 R144 F201 F211 L215L136-V140 WeakPolarHBondContact O-CG2 3.26Å; L136-V140 PolarHBondContact O-N 3.13Å; V140-Y142 VanDerWaalsContact C-N 3.33Å; V140-Y142 PolarHBondContact O-N 3.23Å; V140-F143 PolarHBondContact O-N 2.97Å; V140-R144 WeakPolarHBondContact O-CB 3.07Å; V140-R144 PolarHBondContact O-N 3.47Å; V140-F201 HydrophobicContact CG1-CZ 4.31Å; V140-F201 HydrophobicContact CG2-CZ 4.31Å; V140-F211 HydrophobicContact CG2-CD1 4.41Å; V140-F211 HydrophobicContact CG2-CE1 4.1Å; V140-L215 HydrophobicContact CG2-CD2 4.46Å
141S89.5Confident87.1Confident64 Ų6437.5 Ų37.545%0.44819%0.187SC..Hα-helixtrans-66.6-32.2178-175.20000113D137 I139 D145D137-S141 WeakPolarHBondContact O-CB 3.38Å; D137-S141 PolarHBondContact O-N 2.94Å; I139-S141 PolarHBondContact O-N 3.17Å; S141-D145 PolarHBondContact O-N 3.45Å
142Y90.9Very high86.6Confident25 Ų2542 Ų4210%0.09821%0.205CC..Hα-helixtrans-67.1-51.7175.4172.2-101.7000111F108 I116 G138 I139 V140 R144 D145 Q146F108-Y142 HydrophobicContact CB-CD1 4.43Å; F108-Y142 HydrophobicContact CB-CD2 3.75Å; F108-Y142 HydrophobicContact CB-CE2 3.87Å; F108-Y142 HydrophobicContact CB-CG 4.05Å; F108-Y142 HydrophobicContact CD2-CD1 4.05Å; F108-Y142 HydrophobicContact CD2-CD2 4.36Å; F108-Y142 AromaticContact CD2-CG 3.84Å; F108-Y142 HydrophobicContact CD2-CG 3.84Å; F108-Y142 HydrophobicContact CG-CG 4.47Å; I116-Y142 HydrophobicContact CD1-CE1 3.56Å; I116-Y142 WeakPolarHBondContact CD1-OH 3.4Å; G138-Y142 WeakPolarHBondContact O-CB 2.96Å; G138-Y142 PolarHBondContact O-N 3.1Å; I139-Y142 PolarHBondContact O-N 3.14Å; V140-Y142 VanDerWaalsContact C-N 3.33Å; V140-Y142 PolarHBondContact O-N 3.23Å; Y142-R144 VanDerWaalsContact C-N 3.29Å; Y142-R144 PolarHBondContact O-N 2.67Å; Y142-D145 PolarHBondContact O-N 2.82Å; Y142-Q146 HydrophobicContact CE1-CG 4.06Å; Y142-Q146 HydrophobicContact CE2-CG 4.12Å; Y142-Q146 WeakPolarHBondContact O-CG 3.42Å; Y142-Q146 PolarHBondContact O-N 3.48Å; Y142-Q146 VanDerWaalsContact O-N 3.13Å
143F90.6Very high85.7Confident0 Ų044.8 Ų44.80%022%0.218CC..Hα-helixtrans-66.9-29.6178.7-76.2-74.2000112.9I116 I139 V140 Q146 D147 L172 V175 E176 V179 F211I116-F143 HydrophobicContact CG2-CZ 4.23Å; I139-F143 HydrophobicContact CG2-CD2 4.16Å; I139-F143 HydrophobicContact CG2-CE2 4.29Å; I139-F143 WeakPolarHBondContact O-CD2 3.47Å; I139-F143 PolarHBondContact O-N 3.37Å; V140-F143 PolarHBondContact O-N 2.97Å; F143-Q146 PolarHBondContact O-N 2.88Å; F143-D147 WeakPolarHBondContact O-CB 3.43Å; F143-D147 PolarHBondContact O-N 3.48Å; F143-L172 HydrophobicContact CD1-CD1 4.27Å; F143-L172 HydrophobicContact CE1-CD1 4.13Å; F143-V175 HydrophobicContact CE1-CG1 4.07Å; F143-V175 HydrophobicContact CZ-CG1 4Å; F143-E176 HydrophobicContact CD1-CG 3.44Å; F143-E176 VanDerWaalsContact CD1-CG 3.44Å; F143-E176 HydrophobicContact CE1-CG 3.64Å; F143-E176 HydrophobicContact CG-CG 4.25Å; F143-V179 HydrophobicContact CE2-CB 4.22Å; F143-V179 HydrophobicContact CE2-CG1 3.91Å; F143-V179 HydrophobicContact CE2-CG2 4.03Å; F143-V179 HydrophobicContact CZ-CB 4.37Å; F143-V179 HydrophobicContact CZ-CG2 3.92Å; F143-F211 HydrophobicContact CB-CB 4.02Å; F143-F211 HydrophobicContact CB-CD1 3.76Å; F143-F211 HydrophobicContact CB-CD2 3.83Å; F143-F211 HydrophobicContact CB-CE1 4.17Å; F143-F211 HydrophobicContact CB-CE2 4.22Å; F143-F211 HydrophobicContact CB-CG 3.58Å; F143-F211 HydrophobicContact CB-CZ 4.38Å; F143-F211 HydrophobicContact CD1-CD2 4.38Å; F143-F211 HydrophobicContact CD1-CE2 4.45Å; F143-F211 HydrophobicContact CD2-CD1 4.46Å; F143-F211 HydrophobicContact CD2-CD2 4.22Å; F143-F211 HydrophobicContact CD2-CE1 4.02Å; F143-F211 AromaticContact CD2-CE2 3.73Å; F143-F211 HydrophobicContact CD2-CE2 3.73Å; F143-F211 AromaticContact CD2-CZ 3.63Å; F143-F211 HydrophobicContact CD2-CZ 3.63Å; F143-F211 HydrophobicContact CE2-CE2 4.26Å; F143-F211 HydrophobicContact CE2-CZ 4.24Å; F143-F211 HydrophobicContact CG-CD1 4.38Å; F143-F211 AromaticContact CG-CD2 3.87Å; F143-F211 HydrophobicContact CG-CD2 3.87Å; F143-F211 HydrophobicContact CG-CE1 4.38Å; F143-F211 AromaticContact CG-CE2 3.86Å; F143-F211 HydrophobicContact CG-CE2 3.86Å; F143-F211 HydrophobicContact CG-CG 4.13Å; F143-F211 HydrophobicContact CG-CZ 4.12Å
144R88.1Confident84.6Confident53 Ų5345.6 Ų45.620%0.222%0.224CC..Hα-helixtrans-60.1-48.8169.6-168.6-171.6-54161.47.3112.2V140 Y142 Q146 D147 D148 D207 C209V140-R144 WeakPolarHBondContact O-CB 3.07Å; V140-R144 PolarHBondContact O-N 3.47Å; Y142-R144 VanDerWaalsContact C-N 3.29Å; Y142-R144 PolarHBondContact O-N 2.67Å; R144-Q146 PolarHBondContact O-N 3.37Å; R144-D147 WeakPolarHBondContact O-CB 3.37Å; R144-D147 PolarHBondContact O-N 3.24Å; R144-D147 VanDerWaalsContact O-N 3.14Å; R144-D148 PolarHBondContact O-N 2.89Å; R144-D207 IonicContact CZ-OD1 2.66Å; R144-D207 IonicContact NH1-OD1 2.75Å; R144-D207 PolarHBondContact NH1-OD1 2.98Å; R144-D207 VanDerWaalsContact NH2-C 3.33Å; R144-D207 VanDerWaalsContact NH2-CB 3.3Å; R144-D207 PolarHBondContact NH2-O 3.26Å; R144-D207 IonicContact NH2-OD1 3.91Å; R144-D207 PolarHBondContact NH2-OD1 3.08Å; R144-C209 HydrophobicContact CB-CB 4.35Å; R144-C209 HydrophobicContact CG-CB 3.93Å
145D87.1Confident83.4Confident59 Ų5950.8 Ų50.832%0.31625%0.248SC..Hα-helixtrans-64.6-23.5176.6164.583.7000113.2S141 Y142 R149S141-D145 PolarHBondContact O-N 3.45Å; Y142-D145 PolarHBondContact O-N 2.82Å; D145-R149 VanDerWaalsContact O-CD 3.29Å; D145-R149 WeakPolarHBondContact O-CD 3.38Å; D145-R149 WeakPolarHBondContact O-CG 3.45Å; D145-R149 PolarHBondContact O-NE 3.31Å; D145-R149 IonicContact OD1-CZ 3.27Å; D145-R149 IonicContact OD1-NE 2.92Å; D145-R149 PolarHBondContact OD1-NE 2.89Å; D145-R149 VanDerWaalsContact OD1-NE 3.13Å; D145-R149 IonicContact OD1-NH2 3.13Å; D145-R149 PolarHBondContact OD1-NH2 3.44Å; D145-R149 IonicContact OD2-CZ 3.18Å; D145-R149 VanDerWaalsContact OD2-CZ 3.26Å; D145-R149 IonicContact OD2-NE 3.13Å; D145-R149 PolarHBondContact OD2-NE 3.33Å; D145-R149 IonicContact OD2-NH2 3.13Å; D145-R149 PolarHBondContact OD2-NH2 3.21Å
146Q86.1Confident81.7Confident19 Ų1956.4 Ų56.49%0.08928%0.278CS..Hα-helixtrans-81.4-36.5170.8-58.7-56.7-84.700112.6Y142 F143 R144 Q150 L172Y142-Q146 HydrophobicContact CE1-CG 4.06Å; Y142-Q146 HydrophobicContact CE2-CG 4.12Å; Y142-Q146 WeakPolarHBondContact O-CG 3.42Å; Y142-Q146 PolarHBondContact O-N 3.48Å; Y142-Q146 VanDerWaalsContact O-N 3.13Å; F143-Q146 PolarHBondContact O-N 2.88Å; R144-Q146 PolarHBondContact O-N 3.37Å; Q146-Q150 PolarHBondContact O-N 2.97Å; Q146-L172 HydrophobicContact CB-CD1 4.16Å; Q146-L172 HydrophobicContact CB-CD2 4.06Å
147D83.9Confident79.8Confident3 Ų359.1 Ų59.12%0.01631%0.307CS..Hα-helixtrans-61.1-51.9171.8-89.9-27.6000111.1F143 R144 R149 Q150 E151 R173F143-D147 WeakPolarHBondContact O-CB 3.43Å; F143-D147 PolarHBondContact O-N 3.48Å; R144-D147 WeakPolarHBondContact O-CB 3.37Å; R144-D147 PolarHBondContact O-N 3.24Å; R144-D147 VanDerWaalsContact O-N 3.14Å; D147-R149 VanDerWaalsContact C-N 3.3Å; D147-R149 PolarHBondContact O-N 3.2Å; D147-Q150 PolarHBondContact O-N 3.37Å; D147-E151 PolarHBondContact O-N 3.29Å; D147-R173 IonicContact OD1-CZ 3.56Å; D147-R173 IonicContact OD1-NH1 3.48Å; D147-R173 PolarHBondContact OD1-NH1 2.77Å; D147-R173 IonicContact OD1-NH2 3.42Å; D147-R173 PolarHBondContact OD1-NH2 3.2Å
148D82.8Confident78Confident82 Ų8264.7 Ų64.744%0.43933%0.331SS..Hα-helixtrans-58.3-42.3-176.7-63.9-25.1000110.9R144 Q150 E151 E152R144-D148 PolarHBondContact O-N 2.89Å; D148-Q150 PolarHBondContact O-N 3.38Å; D148-E151 PolarHBondContact O-N 3.35Å; D148-E152 WeakPolarHBondContact O-CG 3.45Å; D148-E152 PolarHBondContact O-N 3.14Å
149R82.9Confident76Confident119 Ų11969.9 Ų69.945%0.44936%0.355SS..Hα-helixtrans-66.2-34.4175.2-69.1172.2-160.8-1615.6113.6D145 D147 E152 E153D145-R149 VanDerWaalsContact O-CD 3.29Å; D145-R149 WeakPolarHBondContact O-CD 3.38Å; D145-R149 WeakPolarHBondContact O-CG 3.45Å; D145-R149 PolarHBondContact O-NE 3.31Å; D145-R149 IonicContact OD1-CZ 3.27Å; D145-R149 IonicContact OD1-NE 2.92Å; D145-R149 PolarHBondContact OD1-NE 2.89Å; D145-R149 VanDerWaalsContact OD1-NE 3.13Å; D145-R149 IonicContact OD1-NH2 3.13Å; D145-R149 PolarHBondContact OD1-NH2 3.44Å; D145-R149 IonicContact OD2-CZ 3.18Å; D145-R149 VanDerWaalsContact OD2-CZ 3.26Å; D145-R149 IonicContact OD2-NE 3.13Å; D145-R149 PolarHBondContact OD2-NE 3.33Å; D145-R149 IonicContact OD2-NH2 3.13Å; D145-R149 PolarHBondContact OD2-NH2 3.21Å; D147-R149 VanDerWaalsContact C-N 3.3Å; D147-R149 PolarHBondContact O-N 3.2Å; R149-E152 PolarHBondContact O-N 3.29Å; R149-E153 WeakPolarHBondContact O-CB 3.4Å; R149-E153 VanDerWaalsContact O-CG 3.26Å; R149-E153 WeakPolarHBondContact O-CG 3.39Å; R149-E153 PolarHBondContact O-N 2.85Å
150Q78.6Confident73.7Confident15 Ų1576.6 Ų76.67%0.0739%0.39CS..Hα-helixtrans-71.9-31.5174.7-77.4-164.3-15.200112.4Q146 D147 D148 Q154 L172Q146-Q150 PolarHBondContact O-N 2.97Å; D147-Q150 PolarHBondContact O-N 3.37Å; D148-Q150 PolarHBondContact O-N 3.38Å; Q150-Q154 WeakPolarHBondContact O-CB 3.31Å; Q150-Q154 VanDerWaalsContact O-CG 3.28Å; Q150-Q154 WeakPolarHBondContact O-CG 3.42Å; Q150-Q154 PolarHBondContact O-N 3.44Å; Q150-L172 VanDerWaalsContact CD-CD2 3.47Å; Q150-L172 HydrophobicContact CG-CD2 4.28Å
151E75.3Confident71.5Confident66 Ų6685 Ų8531%0.30843%0.428SS..Hα-helixtrans-68.5-45.1170.6-69-164.1-159.100110.5D147 D148 E153 Q154 E155 K265D147-E151 PolarHBondContact O-N 3.29Å; D148-E151 PolarHBondContact O-N 3.35Å; E151-E153 PolarHBondContact O-N 3.39Å; E151-Q154 PolarHBondContact O-N 2.9Å; E151-E155 PolarHBondContact O-N 2.98Å; E151-K265 IonicContact OE1-NZ 3.35Å; E151-K265 IonicContact OE2-NZ 2.79Å; E151-K265 PolarHBondContact OE2-NZ 2.96Å
152E76.7Confident69.3Low126 Ų12688.8 Ų88.859%0.58944%0.443SS*.Hα-helixtrans-58.2-46.6174.3-71.7176.7171.800112.4D148 R149 Q154 E155 D156D148-E152 WeakPolarHBondContact O-CG 3.45Å; D148-E152 PolarHBondContact O-N 3.14Å; R149-E152 PolarHBondContact O-N 3.29Å; E152-Q154 VanDerWaalsContact C-N 3.28Å; E152-Q154 PolarHBondContact O-N 2.75Å; E152-E155 PolarHBondContact O-N 3.47Å; E152-D156 PolarHBondContact O-N 2.93Å
153E71.1Confident67.1Low87 Ų8796.5 Ų96.541%0.40748%0.48SS..Hα-helixtrans-63.4-29.1176.7-75.8173.2-177.100113.3R149 E151 G157R149-E153 WeakPolarHBondContact O-CB 3.4Å; R149-E153 VanDerWaalsContact O-CG 3.26Å; R149-E153 WeakPolarHBondContact O-CG 3.39Å; R149-E153 PolarHBondContact O-N 2.85Å; E151-E153 PolarHBondContact O-N 3.39Å; E153-G157 PolarHBondContact O-N 2.73Å; E153-G157 VanDerWaalsContact O-N 3.17Å
154Q66Low65.1Low116 Ų116101.9 Ų101.954%0.54251%0.512SS..Hα-helixtrans-78.6-31.5175.3-76.8178.116.100112.9Q150 E151 E152Q150-Q154 WeakPolarHBondContact O-CB 3.31Å; Q150-Q154 VanDerWaalsContact O-CG 3.28Å; Q150-Q154 WeakPolarHBondContact O-CG 3.42Å; Q150-Q154 PolarHBondContact O-N 3.44Å; E151-Q154 PolarHBondContact O-N 2.9Å; E152-Q154 VanDerWaalsContact C-N 3.28Å; E152-Q154 PolarHBondContact O-N 2.75Å
155E62.2Low63.1Low145 Ų145108.8 Ų108.868%0.67855%0.547SS*.Hα-helixtrans-79.8-40.2176.4-67.7-170171.900112.3E151 E152E151-E155 PolarHBondContact O-N 2.98Å; E152-E155 PolarHBondContact O-N 3.47Å
156D54.9Low61.5Low118 Ų118110.3 Ų110.363%0.63156%0.559SS**Hα-helixtrans-78.6-18.7177.2-92-16.8000113.7E152 E158 N159 L160E152-D156 PolarHBondContact O-N 2.93Å; D156-E158 PolarHBondContact O-N 2.67Å; D156-E158 VanDerWaalsContact O-N 3.13Å; D156-N159 PolarHBondContact O-N 2.85Å; D156-L160 PolarHBondContact O-N 2.86Å
157G50.4Low60.5Low61 Ų61112.1 Ų112.163%0.62957%0.568SS**THydrogen-bonded Turntrans-60.6-19.4178.300000114.8E153E153-G157 PolarHBondContact O-N 2.73Å; E153-G157 VanDerWaalsContact O-N 3.17Å
158E50Low60.2Low176 Ų176115.5 Ų115.582%0.82259%0.59SS**THydrogen-bonded Turntrans-80.4-12.9171.5-65.7-162.1152.700113.7D156D156-E158 PolarHBondContact O-N 2.67Å; D156-E158 VanDerWaalsContact O-N 3.13Å
159N46.1Very low60Low126 Ų126115 Ų11567%0.67459%0.585SS**THydrogen-bonded Turntrans-123-20.9-166.9-86.2-67.6000118.5D156D156-N159 PolarHBondContact O-N 2.85Å
160L44.8Very low60Low143 Ų143113.9 Ų113.975%0.74959%0.588SS**  trans-157.5131167.7-137.378.3000115.5D156 L162D156-L160 PolarHBondContact O-N 2.86Å; L160-L162 HydrophobicContact CD2-CD1 4.41Å; L160-L162 PolarHBondContact O-N 3.2Å
161H44.7Very low60.3Low182 Ų182116.5 Ų116.584%0.84360%0.6SS**  trans-77.998.8175.5-126.9-69.7000110.9
162L42.5Very low60.9Low144 Ų144113.4 Ų113.475%0.75459%0.586SS**  trans-133116.9165.9-91.1167.1000110.5L160 V164L160-L162 HydrophobicContact CD2-CD1 4.41Å; L160-L162 PolarHBondContact O-N 3.2Å; L162-V164 PolarHBondContact O-N 3.25Å
163E45.2Very low61.5Low187 Ų187107.8 Ų107.887%0.87456%0.559SS**  trans-73.783.8-176-62.9177.7159.800111.9
164V47Very low62.4Low112 Ų112108.6 Ų108.668%0.67956%0.563SS**  trans-83.5143.6155.8-177.90000107.9L162 T166L162-V164 PolarHBondContact O-N 3.25Å; V164-T166 PolarHBondContact O-N 3.04Å
165Q46.4Very low63.6Low198 Ų198103.6 Ų103.693%0.92554%0.54SS*.  trans-65.693.9178.4-74.8-177.4-32.600110.7
166T54.9Low65Low92 Ų9296.7 Ų96.756%0.56451%0.508SS*.PPolyproline II helixtrans-77.2141.2-178.4400000112.1V164V164-T166 PolarHBondContact O-N 3.04Å
167I64.6Low66.8Low57 Ų5791.2 Ų91.229%0.29248%0.48SS..PPolyproline II helixtrans-76.3123.7172.8-72.9162.9000108L113 Q169 L172L113-I167 HydrophobicContact CD1-CB 4.18Å; L113-I167 HydrophobicContact CD1-CD1 3.94Å; L113-I167 HydrophobicContact CD1-CG1 3.84Å; L113-I167 HydrophobicContact CD1-CG2 3.31Å; L113-I167 HydrophobicContact CD2-CD1 4.42Å; L113-I167 HydrophobicContact CG-CD1 4.49Å; I167-Q169 PolarHBondContact O-N 3.47Å; I167-L172 HydrophobicContact CG2-CB 3.99Å
168P76.5Confident68.8Low74 Ų7491.1 Ų91.148%0.48147%0.467SS..PPolyproline II helixtrans-58.5127.8175.3-23.734000110.9D170 Q171 L172P168-D170 VanDerWaalsContact C-N 3.32Å; P168-D170 PolarHBondContact O-N 3.3Å; P168-Q171 HydrophobicContact CB-CB 4.18Å; P168-Q171 WeakPolarHBondContact O-CB 3.41Å; P168-Q171 PolarHBondContact O-N 2.98Å; P168-L172 PolarHBondContact O-N 2.87Å
169Q79.8Confident71Confident72 Ų7282.8 Ų82.834%0.33643%0.428SS..Hα-helixtrans-51.2-52-178.2-171.4178.67.100110.9I167 Q171 L172 R173I167-Q169 PolarHBondContact O-N 3.47Å; Q169-Q171 PolarHBondContact O-N 3.09Å; Q169-Q171 VanDerWaalsContact O-N 3.16Å; Q169-L172 PolarHBondContact O-N 2.79Å; Q169-L172 VanDerWaalsContact O-N 3.07Å; Q169-R173 HydrophobicContact CG-CG 4.22Å; Q169-R173 VanDerWaalsContact O-CG 3.25Å; Q169-R173 WeakPolarHBondContact O-CG 3.43Å; Q169-R173 PolarHBondContact O-N 3.17Å
170D81.6Confident73.3Confident95 Ų9576.8 Ų76.851%0.50840%0.396SS..Hα-helixtrans-48.6-44.6177.2-58.510.7000112.7P168 R173 H174 F276P168-D170 VanDerWaalsContact C-N 3.32Å; P168-D170 PolarHBondContact O-N 3.3Å; D170-R173 PolarHBondContact O-N 3.1Å; D170-H174 PolarHBondContact O-N 3.26Å; D170-H174 PolarHBondContact O-ND1 3.34Å; D170-F276 HydrophobicContact CB-CD1 4.38Å; D170-F276 HydrophobicContact CB-CE1 4.23Å; D170-F276 WeakPolarHBondContact OD1-CE1 3.28Å
171Q85.7Confident75.6Confident69 Ų6973.6 Ų73.632%0.32238%0.379SS..Hα-helixtrans-68.6-42-178.3-176.9174.4-7.800111.9P168 Q169 V175P168-Q171 HydrophobicContact CB-CB 4.18Å; P168-Q171 WeakPolarHBondContact O-CB 3.41Å; P168-Q171 PolarHBondContact O-N 2.98Å; Q169-Q171 PolarHBondContact O-N 3.09Å; Q169-Q171 VanDerWaalsContact O-N 3.16Å; Q171-V175 WeakPolarHBondContact O-CB 3.42Å; Q171-V175 WeakPolarHBondContact O-CG2 3.28Å; Q171-V175 PolarHBondContact O-N 2.98Å; Q171-V175 VanDerWaalsContact O-N 3.09Å
172L87.6Confident77.9Confident1 Ų167.3 Ų67.31%0.00535%0.35CS..Hα-helixtrans-60.9-47.8174.3-17666.6000110.4L113 F143 Q146 Q150 I167 P168 Q169 H174 V175 E176L113-L172 HydrophobicContact CD2-CD1 4.2Å; F143-L172 HydrophobicContact CD1-CD1 4.27Å; F143-L172 HydrophobicContact CE1-CD1 4.13Å; Q146-L172 HydrophobicContact CB-CD1 4.16Å; Q146-L172 HydrophobicContact CB-CD2 4.06Å; Q150-L172 VanDerWaalsContact CD-CD2 3.47Å; Q150-L172 HydrophobicContact CG-CD2 4.28Å; I167-L172 HydrophobicContact CG2-CB 3.99Å; P168-L172 PolarHBondContact O-N 2.87Å; Q169-L172 PolarHBondContact O-N 2.79Å; Q169-L172 VanDerWaalsContact O-N 3.07Å; L172-H174 VanDerWaalsContact C-N 3.34Å; L172-H174 PolarHBondContact O-N 3.05Å; L172-V175 WeakPolarHBondContact O-CB 3.38Å; L172-V175 PolarHBondContact O-N 2.93Å; L172-V175 VanDerWaalsContact O-N 3.11Å; L172-E176 HydrophobicContact CG-CG 4.48Å; L172-E176 WeakPolarHBondContact O-CG 3.32Å; L172-E176 PolarHBondContact O-N 2.65Å
173R89.6Confident80.3Confident9 Ų960.5 Ų60.53%0.03431%0.314CS..Hα-helixtrans-65-35.2-177.2-55.4-66.3155.2-158.51.3112.3D147 Q169 D170 E176 G177 N273 F276 W278D147-R173 IonicContact OD1-CZ 3.56Å; D147-R173 IonicContact OD1-NH1 3.48Å; D147-R173 PolarHBondContact OD1-NH1 2.77Å; D147-R173 IonicContact OD1-NH2 3.42Å; D147-R173 PolarHBondContact OD1-NH2 3.2Å; Q169-R173 HydrophobicContact CG-CG 4.22Å; Q169-R173 VanDerWaalsContact O-CG 3.25Å; Q169-R173 WeakPolarHBondContact O-CG 3.43Å; Q169-R173 PolarHBondContact O-N 3.17Å; D170-R173 PolarHBondContact O-N 3.1Å; R173-E176 WeakPolarHBondContact CD-OE2 3.28Å; R173-E176 IonicContact CZ-OE1 2.85Å; R173-E176 IonicContact CZ-OE2 2.75Å; R173-E176 IonicContact NE-OE2 3.35Å; R173-E176 VanDerWaalsContact NH1-CD 3.27Å; R173-E176 IonicContact NH1-OE1 2.76Å; R173-E176 PolarHBondContact NH1-OE1 2.99Å; R173-E176 IonicContact NH1-OE2 3.26Å; R173-E176 PolarHBondContact NH1-OE2 3.36Å; R173-G177 PolarHBondContact O-N 3.38Å; R173-G177 VanDerWaalsContact O-N 3.1Å; R173-N273 PolarHBondContact NH1-ND2 3.43Å; R173-F276 HydrophobicContact CB-CB 3.61Å; R173-F276 HydrophobicContact CB-CD2 3.47Å; R173-F276 VanDerWaalsContact CB-CD2 3.47Å; R173-F276 HydrophobicContact CB-CE2 4.28Å; R173-F276 HydrophobicContact CB-CG 3.62Å; R173-F276 HydrophobicContact CG-CD2 3.5Å; R173-F276 HydrophobicContact CG-CE2 3.84Å; R173-F276 HydrophobicContact CG-CG 4.13Å; R173-W278 HydrophobicContact CB-CZ2 4.3Å; R173-W278 PolarHBondContact O-NE1 2.88Å
174H89.6Confident82.6Confident104 Ų10451.7 Ų51.748%0.48127%0.273SS..Hα-helixtrans-68-39.3172.7-77.154.3000112.4D170 L172 G177 T178D170-H174 PolarHBondContact O-N 3.26Å; D170-H174 PolarHBondContact O-ND1 3.34Å; L172-H174 VanDerWaalsContact C-N 3.34Å; L172-H174 PolarHBondContact O-N 3.05Å; H174-G177 PolarHBondContact O-N 3.1Å; H174-T178 PolarHBondContact O-N 3.39Å; H174-T178 VanDerWaalsContact O-N 3.1Å; H174-T178 PolarHBondContact O-OG1 3.11Å
175V91.7Very high84.8Confident10 Ų1051 Ų516%0.06126%0.261CS..Hα-helixtrans-65.5-42.9176163.70000111L113 P117 F143 Q171 L172 T178 V179L113-V175 HydrophobicContact CB-CG2 4.21Å; L113-V175 WeakPolarHBondContact O-CG1 3.48Å; L113-V175 WeakPolarHBondContact O-CG2 3.45Å; P117-V175 HydrophobicContact CG-CG1 4Å; P117-V175 HydrophobicContact CG-CG2 4.48Å; F143-V175 HydrophobicContact CE1-CG1 4.07Å; F143-V175 HydrophobicContact CZ-CG1 4Å; Q171-V175 WeakPolarHBondContact O-CB 3.42Å; Q171-V175 WeakPolarHBondContact O-CG2 3.28Å; Q171-V175 PolarHBondContact O-N 2.98Å; Q171-V175 VanDerWaalsContact O-N 3.09Å; L172-V175 WeakPolarHBondContact O-CB 3.38Å; L172-V175 PolarHBondContact O-N 2.93Å; L172-V175 VanDerWaalsContact O-N 3.11Å; V175-T178 PolarHBondContact O-N 3.33Å; V175-V179 WeakPolarHBondContact O-CG2 3.41Å; V175-V179 PolarHBondContact O-N 3Å
176E91.8Very high86.9Confident0 Ų042.2 Ų42.20%022%0.223CC..Hα-helixtrans-57.4-50.3173.7-75.4174.6171.200112.3F143 L172 R173 T178 V179 I180 F211 W278F143-E176 HydrophobicContact CD1-CG 3.44Å; F143-E176 VanDerWaalsContact CD1-CG 3.44Å; F143-E176 HydrophobicContact CE1-CG 3.64Å; F143-E176 HydrophobicContact CG-CG 4.25Å; L172-E176 HydrophobicContact CG-CG 4.48Å; L172-E176 WeakPolarHBondContact O-CG 3.32Å; L172-E176 PolarHBondContact O-N 2.65Å; R173-E176 WeakPolarHBondContact CD-OE2 3.28Å; R173-E176 IonicContact CZ-OE1 2.85Å; R173-E176 IonicContact CZ-OE2 2.75Å; R173-E176 IonicContact NE-OE2 3.35Å; R173-E176 VanDerWaalsContact NH1-CD 3.27Å; R173-E176 IonicContact NH1-OE1 2.76Å; R173-E176 PolarHBondContact NH1-OE1 2.99Å; R173-E176 IonicContact NH1-OE2 3.26Å; R173-E176 PolarHBondContact NH1-OE2 3.36Å; E176-T178 VanDerWaalsContact C-N 3.3Å; E176-T178 PolarHBondContact O-N 2.85Å; E176-V179 PolarHBondContact O-N 3.1Å; E176-I180 WeakPolarHBondContact O-CB 3.48Å; E176-I180 VanDerWaalsContact O-CG1 3.25Å; E176-I180 WeakPolarHBondContact O-CG1 3.47Å; E176-I180 PolarHBondContact O-N 3.06Å; E176-F211 HydrophobicContact CB-CD2 3.98Å; E176-F211 HydrophobicContact CB-CE2 4.21Å; E176-F211 HydrophobicContact CG-CD2 3.79Å; E176-F211 HydrophobicContact CG-CE2 4.23Å; E176-W278 HydrophobicContact CB-CZ2 3.88Å; E176-W278 VanDerWaalsContact OE2-CZ2 3.28Å; E176-W278 WeakPolarHBondContact OE2-CZ2 3.46Å
177G92.4Very high88.7Confident4 Ų437.9 Ų37.94%0.04120%0.196CC..Hα-helixtrans-56.9-43.7176.700000112.3R173 H174 I180 L181 H280R173-G177 PolarHBondContact O-N 3.38Å; R173-G177 VanDerWaalsContact O-N 3.1Å; H174-G177 PolarHBondContact O-N 3.1Å; G177-I180 PolarHBondContact O-N 3.12Å; G177-L181 WeakPolarHBondContact O-CG 3.34Å; G177-L181 PolarHBondContact O-N 3.35Å; G177-H280 PolarHBondContact O-NE2 3.46Å
178T93.3Very high89.9Confident59 Ų5940.9 Ų40.936%0.36220%0.204SC..Hα-helixtrans-64.1-43.3177.1-50.90000112P117 H174 V175 E176 L181 H182P117-T178 HydrophobicContact CB-CG2 3.72Å; P117-T178 HydrophobicContact CG-CG2 4.18Å; H174-T178 PolarHBondContact O-N 3.39Å; H174-T178 VanDerWaalsContact O-N 3.1Å; H174-T178 PolarHBondContact O-OG1 3.11Å; V175-T178 PolarHBondContact O-N 3.33Å; E176-T178 VanDerWaalsContact C-N 3.3Å; E176-T178 PolarHBondContact O-N 2.85Å; T178-L181 PolarHBondContact O-N 3.34Å; T178-H182 PolarHBondContact O-N 3.03Å
179V94.8Very high90.6Very high0 Ų043.1 Ų43.10%021%0.211CC..Hα-helixtrans-64.1-44.1175.7166.40000111.3P117 V120 I139 F143 V175 E176 L181 H182 V183 F211P117-V179 HydrophobicContact CB-CG2 4.23Å; P117-V179 HydrophobicContact CG-CG2 4.12Å; V120-V179 HydrophobicContact CB-CG2 4.49Å; V120-V179 HydrophobicContact CG1-CG1 4.07Å; V120-V179 HydrophobicContact CG2-CG2 4.34Å; I139-V179 HydrophobicContact CG2-CG1 3.94Å; F143-V179 HydrophobicContact CE2-CB 4.22Å; F143-V179 HydrophobicContact CE2-CG1 3.91Å; F143-V179 HydrophobicContact CE2-CG2 4.03Å; F143-V179 HydrophobicContact CZ-CB 4.37Å; F143-V179 HydrophobicContact CZ-CG2 3.92Å; V175-V179 WeakPolarHBondContact O-CG2 3.41Å; V175-V179 PolarHBondContact O-N 3Å; E176-V179 PolarHBondContact O-N 3.1Å; V179-L181 VanDerWaalsContact C-N 3.3Å; V179-L181 PolarHBondContact O-N 3.45Å; V179-H182 PolarHBondContact O-N 2.89Å; V179-H182 VanDerWaalsContact O-N 3.14Å; V179-V183 HydrophobicContact CG1-CG2 4.31Å; V179-V183 WeakPolarHBondContact O-CG2 2.9Å; V179-V183 PolarHBondContact O-N 3.07Å; V179-F211 HydrophobicContact CG1-CE2 4.25Å; V179-F211 HydrophobicContact CG1-CZ 3.91Å
180I94.5Very high91.1Very high0 Ų041.5 Ų41.50%021%0.205CC..Hα-helixtrans-58.5-43.9176.5-71.7163.7000110.3E176 G177 H182 V183 V184 F211 A214 L215 S218E176-I180 WeakPolarHBondContact O-CB 3.48Å; E176-I180 VanDerWaalsContact O-CG1 3.25Å; E176-I180 WeakPolarHBondContact O-CG1 3.47Å; E176-I180 PolarHBondContact O-N 3.06Å; G177-I180 PolarHBondContact O-N 3.12Å; I180-H182 PolarHBondContact O-N 2.9Å; I180-V183 PolarHBondContact O-N 3.24Å; I180-V184 HydrophobicContact CG2-CG2 4.22Å; I180-V184 WeakPolarHBondContact O-CB 3.2Å; I180-V184 WeakPolarHBondContact O-CG2 3.29Å; I180-V184 PolarHBondContact O-N 3.25Å; I180-F211 HydrophobicContact CD1-CD2 4.03Å; I180-F211 HydrophobicContact CD1-CE2 3.98Å; I180-F211 HydrophobicContact CG1-CD2 4.21Å; I180-F211 HydrophobicContact CG1-CE2 3.65Å; I180-F211 HydrophobicContact CG1-CZ 4.13Å; I180-A214 HydrophobicContact CD1-CB 3.67Å; I180-L215 HydrophobicContact CG1-CB 4.22Å; I180-L215 HydrophobicContact CG1-CD1 4.45Å; I180-L215 HydrophobicContact CG2-CD1 4.1Å; I180-S218 VanDerWaalsContact CG2-CB 3.48Å; I180-S218 VanDerWaalsContact CG2-OG 3.28Å; I180-S218 WeakPolarHBondContact CG2-OG 3.45Å
181L92.6Very high91.4Very high76 Ų7640.3 Ų40.340%0.39820%0.196SC..Hα-helixtrans-60.1-44174.7-74.5170.6000112.4G177 T178 V179 V184 F185 H280G177-L181 WeakPolarHBondContact O-CG 3.34Å; G177-L181 PolarHBondContact O-N 3.35Å; T178-L181 PolarHBondContact O-N 3.34Å; V179-L181 VanDerWaalsContact C-N 3.3Å; V179-L181 PolarHBondContact O-N 3.45Å; L181-V184 PolarHBondContact O-N 3.44Å; L181-F185 VanDerWaalsContact O-CB 3.28Å; L181-F185 WeakPolarHBondContact O-CB 3.45Å; L181-F185 PolarHBondContact O-N 3.4Å; L181-H280 HydrophobicContact CD2-CB 3.9Å
182H93.6Very high91.5Very high51 Ų5141.9 Ų41.924%0.23620%0.203CC..Hα-helixtrans-62.1-44175.2-70.1167.4000112.6P117 Y121 L124 T178 V179 I180 F185 A186P117-H182 PolarHBondContact O-CE1 3.15Å; P117-H182 PolarHBondContact O-ND1 3.3Å; Y121-H182 HydrophobicContact CD2-CB 4.49Å; L124-H182 HydrophobicContact CD1-CB 4.09Å; T178-H182 PolarHBondContact O-N 3.03Å; V179-H182 PolarHBondContact O-N 2.89Å; V179-H182 VanDerWaalsContact O-N 3.14Å; I180-H182 PolarHBondContact O-N 2.9Å; H182-F185 PolarHBondContact O-N 2.75Å; H182-A186 PolarHBondContact O-N 2.75Å
183V93.6Very high91.6Very high0 Ų041.9 Ų41.90%020%0.203CC..Hα-helixtrans-65.1-45.4177.6179.50000110.9V120 L124 L136 V179 I180 F185 A186 I187 L215V120-V183 HydrophobicContact CG1-CG2 4.5Å; L124-V183 HydrophobicContact CD1-CB 4.36Å; L124-V183 HydrophobicContact CD1-CG2 3.87Å; L124-V183 HydrophobicContact CD2-CG2 4.29Å; L136-V183 HydrophobicContact CD2-CG1 4.03Å; V179-V183 HydrophobicContact CG1-CG2 4.31Å; V179-V183 WeakPolarHBondContact O-CG2 2.9Å; V179-V183 PolarHBondContact O-N 3.07Å; I180-V183 PolarHBondContact O-N 3.24Å; V183-F185 VanDerWaalsContact C-N 3.32Å; V183-F185 PolarHBondContact O-N 2.89Å; V183-A186 WeakPolarHBondContact O-CB 3.39Å; V183-A186 PolarHBondContact O-N 2.72Å; V183-I187 HydrophobicContact CG1-CD1 3.92Å; V183-I187 HydrophobicContact CG1-CG1 4.49Å; V183-I187 WeakPolarHBondContact O-CG1 3.44Å; V183-I187 PolarHBondContact O-N 3.35Å; V183-L215 HydrophobicContact CB-CD1 3.87Å; V183-L215 HydrophobicContact CG1-CD1 3.72Å; V183-L215 HydrophobicContact CG1-CD2 4.22Å
184V92.8Very high91.5Very high2 Ų241.5 Ų41.51%0.01220%0.202CC..Hα-helixtrans-63.3-38.8177.6172.50000111.4I180 L181 I187 R188 L215 V219I180-V184 HydrophobicContact CG2-CG2 4.22Å; I180-V184 WeakPolarHBondContact O-CB 3.2Å; I180-V184 WeakPolarHBondContact O-CG2 3.29Å; I180-V184 PolarHBondContact O-N 3.25Å; L181-V184 PolarHBondContact O-N 3.44Å; V184-I187 PolarHBondContact O-N 2.76Å; V184-R188 WeakPolarHBondContact O-CG 3.25Å; V184-R188 PolarHBondContact O-N 3.48Å; V184-R188 VanDerWaalsContact O-N 3.09Å; V184-L215 HydrophobicContact CG2-CD1 4.15Å; V184-V219 HydrophobicContact CG2-CG2 3.81Å
185F92.6Very high91.5Very high98 Ų9842.3 Ų42.343%0.4320%0.201SC..Hα-helixtrans-63-44.5173.5-177.5-102.7000111.5Y121 L181 H182 V183 I187 R188 L189Y121-F185 HydrophobicContact CE2-CD1 4.31Å; Y121-F185 HydrophobicContact CE2-CE1 4.42Å; L181-F185 VanDerWaalsContact O-CB 3.28Å; L181-F185 WeakPolarHBondContact O-CB 3.45Å; L181-F185 PolarHBondContact O-N 3.4Å; H182-F185 PolarHBondContact O-N 2.75Å; V183-F185 VanDerWaalsContact C-N 3.32Å; V183-F185 PolarHBondContact O-N 2.89Å; F185-I187 VanDerWaalsContact C-N 3.34Å; F185-I187 PolarHBondContact O-N 3.17Å; F185-R188 WeakPolarHBondContact O-CB 3.36Å; F185-R188 PolarHBondContact O-N 3.41Å; F185-L189 HydrophobicContact CD1-CD1 4.12Å; F185-L189 HydrophobicContact CE1-CD1 3.58Å; F185-L189 HydrophobicContact CE1-CG 4.43Å; F185-L189 HydrophobicContact CZ-CD1 3.97Å; F185-L189 PolarHBondContact O-N 3.42Å
186A91.9Very high91.4Very high14 Ų1444 Ų4412%0.11621%0.208CC..Hα-helixtrans-60.9-39.5174.300000112.5L124 H182 V183 R188 L189 D190 L193L124-A186 HydrophobicContact CB-CB 4Å; L124-A186 HydrophobicContact CD1-CB 4.11Å; L124-A186 HydrophobicContact CD2-CB 4.13Å; L124-A186 HydrophobicContact CG-CB 4.32Å; H182-A186 PolarHBondContact O-N 2.75Å; V183-A186 WeakPolarHBondContact O-CB 3.39Å; V183-A186 PolarHBondContact O-N 2.72Å; A186-R188 VanDerWaalsContact C-N 3.3Å; A186-R188 PolarHBondContact O-N 3.42Å; A186-L189 PolarHBondContact O-N 2.67Å; A186-L189 VanDerWaalsContact O-N 3.15Å; A186-D190 PolarHBondContact O-N 3.01Å; A186-L193 HydrophobicContact CB-CD1 4.21Å
187I92.4Very high91.2Very high0 Ų044.1 Ų44.10%021%0.209CC..Hα-helixtrans-66-30.1176.4-69.4169.4000112.9V183 V184 F185 L189 D190 H191 L193 L197 V219 Y225V183-I187 HydrophobicContact CG1-CD1 3.92Å; V183-I187 HydrophobicContact CG1-CG1 4.49Å; V183-I187 WeakPolarHBondContact O-CG1 3.44Å; V183-I187 PolarHBondContact O-N 3.35Å; V184-I187 PolarHBondContact O-N 2.76Å; F185-I187 VanDerWaalsContact C-N 3.34Å; F185-I187 PolarHBondContact O-N 3.17Å; I187-L189 VanDerWaalsContact C-N 3.34Å; I187-D190 CarbonylContact O-C 3.56Å; I187-H191 PolarHBondContact O-ND1 2.98Å; I187-L193 HydrophobicContact CD1-CD2 4.18Å; I187-L193 HydrophobicContact CG1-CB 4.49Å; I187-L193 HydrophobicContact CG1-CD2 3.54Å; I187-L197 HydrophobicContact CD1-CD2 3.74Å; I187-V219 HydrophobicContact CD1-CG2 3.59Å; I187-Y225 HydrophobicContact CG2-CD2 4.11Å; I187-Y225 HydrophobicContact CG2-CE2 3.56Å
188R90.1Very high91Very high121 Ų12144.1 Ų44.146%0.45721%0.208SC..Hα-helixtrans-68.8-34173.4-72.4172.2176.1-160.9-4.9111.7V184 F185 A186 V222V184-R188 WeakPolarHBondContact O-CG 3.25Å; V184-R188 PolarHBondContact O-N 3.48Å; V184-R188 VanDerWaalsContact O-N 3.09Å; F185-R188 WeakPolarHBondContact O-CB 3.36Å; F185-R188 PolarHBondContact O-N 3.41Å; A186-R188 VanDerWaalsContact C-N 3.3Å; A186-R188 PolarHBondContact O-N 3.42Å; R188-V222 HydrophobicContact CG-CG2 3.78Å
189L90.5Very high90.8Very high121 Ų12146.8 Ų46.863%0.63421%0.214SC*.Hα-helixtrans-83.7-41177.3-61.2178.9000113F185 A186 I187F185-L189 HydrophobicContact CD1-CD1 4.12Å; F185-L189 HydrophobicContact CE1-CD1 3.58Å; F185-L189 HydrophobicContact CE1-CG 4.43Å; F185-L189 HydrophobicContact CZ-CD1 3.97Å; F185-L189 PolarHBondContact O-N 3.42Å; A186-L189 PolarHBondContact O-N 2.67Å; A186-L189 VanDerWaalsContact O-N 3.15Å; I187-L189 VanDerWaalsContact C-N 3.34Å
190D89.6Confident90.2Very high37 Ų3747.5 Ų47.520%0.19822%0.22CC..  trans-120.8107.5179.2-179.25.4000111.8K132 A186 I187 E192 L193K132-D190 WeakPolarHBondContact CE-OD2 3.5Å; K132-D190 IonicContact NZ-OD1 2.77Å; K132-D190 IonicContact NZ-OD2 3.66Å; K132-D190 PolarHBondContact NZ-OD2 3.18Å; A186-D190 PolarHBondContact O-N 3.01Å; I187-D190 CarbonylContact O-C 3.56Å; D190-E192 VanDerWaalsContact C-N 3.33Å; D190-E192 PolarHBondContact O-N 3.27Å; D190-E192 WeakPolarHBondContact OD1-CB 3.18Å; D190-E192 PolarHBondContact OD1-N 3Å; D190-L193 HydrophobicContact CB-CB 4.27Å; D190-L193 WeakPolarHBondContact O-CB 3.46Å; D190-L193 PolarHBondContact O-N 3.44Å
191H88.3Confident89.5Confident70 Ų7047.8 Ų47.832%0.32422%0.221SC..Hα-helixtrans-76.7-12.5179.8-59.6-35.1000114.8I187 R195 R224 Y225I187-H191 PolarHBondContact O-ND1 2.98Å; H191-R195 WeakPolarHBondContact O-CG 3.39Å; H191-R195 PolarHBondContact O-N 3.43Å; H191-R195 PolarHBondContact O-NH1 3.3Å; H191-R195 VanDerWaalsContact O-NH1 3.09Å; H191-R224 PolarHBondContact CD2-NH1 3.24Å; H191-R224 PolarHBondContact NE2-NH1 3.26Å; H191-Y225 WeakPolarHBondContact CA-OH 3.29Å; H191-Y225 PolarHBondContact O-OH 3.45Å
192E88.6Confident88.9Confident102 Ų10249.2 Ų49.248%0.47722%0.224SC..Hα-helixtrans-72.8-36.2169.9-73.8175.2178.200111.2K132 D190 G194 R195 E196K132-E192 HydrophobicContact CD-CB 4.1Å; K132-E192 IonicContact NZ-OE2 2.66Å; K132-E192 PolarHBondContact NZ-OE2 3.36Å; D190-E192 VanDerWaalsContact C-N 3.33Å; D190-E192 PolarHBondContact O-N 3.27Å; D190-E192 WeakPolarHBondContact OD1-CB 3.18Å; D190-E192 PolarHBondContact OD1-N 3Å; E192-G194 VanDerWaalsContact C-N 3.33Å; E192-G194 PolarHBondContact O-N 3.09Å; E192-R195 PolarHBondContact O-N 3.17Å; E192-R195 VanDerWaalsContact O-N 3.15Å; E192-R195 IonicContact OE1-NH2 2.72Å; E192-E196 PolarHBondContact O-N 2.99Å
193L89.6Confident87.6Confident1 Ų151.6 Ų51.61%0.00524%0.242CC..Hα-helixtrans-59.4-45.2176.7-155.5156.4000110.7L124 S127 L136 A186 I187 D190 E196 L197L124-L193 HydrophobicContact CD2-CD1 4.08Å; L124-L193 HydrophobicContact CD2-CD2 4.47Å; S127-L193 VanDerWaalsContact OG-CD1 3.25Å; S127-L193 WeakPolarHBondContact OG-CD1 3.46Å; L136-L193 HydrophobicContact CD1-CD2 3.91Å; L136-L193 HydrophobicContact CD1-CG 4.36Å; L136-L193 HydrophobicContact CD2-CD2 3.76Å; L136-L193 HydrophobicContact CG-CD2 4.12Å; A186-L193 HydrophobicContact CB-CD1 4.21Å; I187-L193 HydrophobicContact CD1-CD2 4.18Å; I187-L193 HydrophobicContact CG1-CB 4.49Å; I187-L193 HydrophobicContact CG1-CD2 3.54Å; D190-L193 HydrophobicContact CB-CB 4.27Å; D190-L193 WeakPolarHBondContact O-CB 3.46Å; D190-L193 PolarHBondContact O-N 3.44Å; L193-E196 PolarHBondContact O-N 3.15Å; L193-L197 WeakPolarHBondContact O-CB 3.49Å; L193-L197 PolarHBondContact O-N 2.94Å
194G87.9Confident86.2Confident1 Ų153 Ų531%0.0125%0.251CS..Hα-helixtrans-65.8-35.6173.600000114.4E192 L198E192-G194 VanDerWaalsContact C-N 3.33Å; E192-G194 PolarHBondContact O-N 3.09Å; G194-L198 WeakPolarHBondContact O-CG 3.47Å; G194-L198 PolarHBondContact O-N 3.25Å; G194-L198 VanDerWaalsContact O-N 3.17Å
195R88.8Confident85.1Confident121 Ų12156 Ų5646%0.45726%0.263SS..Hα-helixtrans-67.9-41.6174.9-75.4-168-60-88.318.6112.1H191 E192 L198 K199H191-R195 WeakPolarHBondContact O-CG 3.39Å; H191-R195 PolarHBondContact O-N 3.43Å; H191-R195 PolarHBondContact O-NH1 3.3Å; H191-R195 VanDerWaalsContact O-NH1 3.09Å; E192-R195 PolarHBondContact O-N 3.17Å; E192-R195 VanDerWaalsContact O-N 3.15Å; E192-R195 IonicContact OE1-NH2 2.72Å; R195-L198 PolarHBondContact O-N 3.45Å; R195-K199 VanDerWaalsContact O-CB 3.3Å; R195-K199 WeakPolarHBondContact O-CB 3.06Å; R195-K199 PolarHBondContact O-N 3.43Å
196E89Confident83.7Confident47 Ų4754.6 Ų54.622%0.2228%0.276CS..Hα-helixtrans-71.3-35.7-179.7-158.362.7-157.600111.3K133 E192 L193 K199 S200K133-E196 HydrophobicContact CB-CG 3.73Å; K133-E196 HydrophobicContact CG-CG 4.49Å; E192-E196 PolarHBondContact O-N 2.99Å; L193-E196 PolarHBondContact O-N 3.15Å; E196-K199 VanDerWaalsContact CD-NZ 3.3Å; E196-K199 PolarHBondContact O-N 3.47Å; E196-K199 IonicContact OE1-NZ 3.24Å; E196-K199 PolarHBondContact OE1-NZ 3.38Å; E196-K199 IonicContact OE2-NZ 2.66Å; E196-K199 PolarHBondContact OE2-NZ 2.96Å; E196-S200 PolarHBondContact O-N 2.93Å
197L89.2Confident82.5Confident1 Ų156.1 Ų56.11%0.00528%0.282CS..Hα-helixtrans-57.3-49.8169.9-172.672.6000112.2L136 I187 L193 K199 S200 F201 L215 V219L136-L197 HydrophobicContact CB-CD1 4.41Å; L136-L197 HydrophobicContact CD1-CB 3.81Å; L136-L197 HydrophobicContact CD1-CD1 3.98Å; L136-L197 HydrophobicContact CD2-CD1 3.95Å; L136-L197 HydrophobicContact CG-CD1 4.34Å; I187-L197 HydrophobicContact CD1-CD2 3.74Å; L193-L197 WeakPolarHBondContact O-CB 3.49Å; L193-L197 PolarHBondContact O-N 2.94Å; L197-K199 PolarHBondContact O-N 2.92Å; L197-S200 PolarHBondContact O-N 2.95Å; L197-S200 PolarHBondContact O-OG 3.23Å; L197-F201 HydrophobicContact CD1-CD2 4.41Å; L197-F201 HydrophobicContact CD1-CE2 3.7Å; L197-F201 HydrophobicContact CG-CD2 4.4Å; L197-F201 HydrophobicContact CG-CE2 4.09Å; L197-F201 VanDerWaalsContact O-CD2 3.25Å; L197-F201 WeakPolarHBondContact O-CD2 3.37Å; L197-L215 HydrophobicContact CD1-CD2 4.1Å; L197-L215 HydrophobicContact CD2-CD2 4.22Å; L197-L215 HydrophobicContact CD2-CG 4.34Å; L197-V219 HydrophobicContact CD2-CG2 4.19Å
198L88.3Confident82.1Confident4 Ų456.4 Ų56.42%0.02128%0.284CS..Hα-helixtrans-66.4-29.4178.5-70.8173.9000112.1G194 R195 K202 L216 Y225 Q228 V229 L232G194-L198 WeakPolarHBondContact O-CG 3.47Å; G194-L198 PolarHBondContact O-N 3.25Å; G194-L198 VanDerWaalsContact O-N 3.17Å; R195-L198 PolarHBondContact O-N 3.45Å; L198-K202 VanDerWaalsContact O-CB 3.29Å; L198-K202 WeakPolarHBondContact O-CB 3.43Å; L198-K202 WeakPolarHBondContact O-CG 3.42Å; L198-K202 PolarHBondContact O-N 3.09Å; L198-L216 HydrophobicContact CD2-CD2 4.08Å; L198-Y225 HydrophobicContact CD1-CD1 3.58Å; L198-Y225 HydrophobicContact CD1-CE1 4.17Å; L198-Y225 HydrophobicContact CD1-CG 4.35Å; L198-Q228 HydrophobicContact CD1-CB 3.98Å; L198-V229 HydrophobicContact CD2-CG2 3.88Å; L198-L232 HydrophobicContact CD2-CD2 4.09Å
199K87.8Confident81.9Confident115 Ų11550.9 Ų50.950%0.526%0.264SS..Hα-helixtrans-75.5-33.5-179.5-179.2178.1156.7-136.20113.1R195 E196 L197 T203R195-K199 VanDerWaalsContact O-CB 3.3Å; R195-K199 WeakPolarHBondContact O-CB 3.06Å; R195-K199 PolarHBondContact O-N 3.43Å; E196-K199 VanDerWaalsContact CD-NZ 3.3Å; E196-K199 PolarHBondContact O-N 3.47Å; E196-K199 IonicContact OE1-NZ 3.24Å; E196-K199 PolarHBondContact OE1-NZ 3.38Å; E196-K199 IonicContact OE2-NZ 2.66Å; E196-K199 PolarHBondContact OE2-NZ 2.96Å; L197-K199 PolarHBondContact O-N 2.92Å; K199-T203 PolarHBondContact O-N 3.35Å; K199-T203 PolarHBondContact O-OG1 3.21Å
200S81.8Confident81.9Confident16 Ų1645.5 Ų45.511%0.11224%0.236CC..Hα-helixtrans-62.9-55.2173.9600000110.3E196 L197 K202 T203 S204E196-S200 PolarHBondContact O-N 2.93Å; L197-S200 PolarHBondContact O-N 2.95Å; L197-S200 PolarHBondContact O-OG 3.23Å; S200-K202 PolarHBondContact O-N 3.47Å; S200-T203 WeakPolarHBondContact O-CB 3.47Å; S200-T203 PolarHBondContact O-N 3.38Å; S200-S204 PolarHBondContact O-N 2.79Å; S200-S204 VanDerWaalsContact O-N 3.13Å
201F81.3Confident82Confident5 Ų543.7 Ų43.72%0.02223%0.226CC..Hα-helixtrans-67-29.9-179.9-62.8-63.1000114.5V140 L197 T203 S204 D207 L208 L216 L232V140-F201 HydrophobicContact CG1-CZ 4.31Å; V140-F201 HydrophobicContact CG2-CZ 4.31Å; L197-F201 HydrophobicContact CD1-CD2 4.41Å; L197-F201 HydrophobicContact CD1-CE2 3.7Å; L197-F201 HydrophobicContact CG-CD2 4.4Å; L197-F201 HydrophobicContact CG-CE2 4.09Å; L197-F201 VanDerWaalsContact O-CD2 3.25Å; L197-F201 WeakPolarHBondContact O-CD2 3.37Å; F201-T203 PolarHBondContact O-N 3.25Å; F201-S204 CarbonylContact O-C 3.54Å; F201-D207 HydrophobicContact CD1-CB 4.36Å; F201-D207 HydrophobicContact CE1-CB 4.24Å; F201-L208 HydrophobicContact CD1-CD2 3.78Å; F201-L208 HydrophobicContact CD1-CG 4.41Å; F201-L208 HydrophobicContact CE1-CD2 4.1Å; F201-L208 HydrophobicContact CG-CD2 4.34Å; F201-L216 HydrophobicContact CD2-CD1 4.18Å; F201-L216 HydrophobicContact CD2-CD2 4.15Å; F201-L216 HydrophobicContact CD2-CG 4.44Å; F201-L216 HydrophobicContact CE2-CD1 4.46Å; F201-L216 HydrophobicContact CE2-CD2 4.48Å; F201-L216 HydrophobicContact CE2-CG 4.48Å; F201-L216 HydrophobicContact CG-CD1 4.47Å; F201-L232 HydrophobicContact CB-CD1 4.1Å; F201-L232 HydrophobicContact CB-CD2 3.75Å; F201-L232 HydrophobicContact CB-CG 4.47Å
202K78.5Confident82.1Confident107 Ų10740.4 Ų40.447%0.46521%0.211SC..Hα-helixtrans-64.5-23.5170.7-80.4177.4-177.1178.20113.1L198 S200 L232L198-K202 VanDerWaalsContact O-CB 3.29Å; L198-K202 WeakPolarHBondContact O-CB 3.43Å; L198-K202 WeakPolarHBondContact O-CG 3.42Å; L198-K202 PolarHBondContact O-N 3.09Å; S200-K202 PolarHBondContact O-N 3.47Å; K202-L232 HydrophobicContact CG-CD1 3.81Å
203T66.4Low82.3Confident101 Ų10135.5 Ų35.562%0.6219%0.188SC*.Hα-helixtrans-90.2-35.6-179.2-50.70000111.7K199 S200 F201K199-T203 PolarHBondContact O-N 3.35Å; K199-T203 PolarHBondContact O-OG1 3.21Å; S200-T203 WeakPolarHBondContact O-CB 3.47Å; S200-T203 PolarHBondContact O-N 3.38Å; F201-T203 PolarHBondContact O-N 3.25Å
204S65.6Low82.5Confident28 Ų2835.5 Ų35.520%0.19619%0.188CC..  trans-138.5112.4178.9176.90000110.8S200 F201 G206 D207S200-S204 PolarHBondContact O-N 2.79Å; S200-S204 VanDerWaalsContact O-N 3.13Å; F201-S204 CarbonylContact O-C 3.54Å; S204-G206 VanDerWaalsContact C-N 3.28Å; S204-G206 PolarHBondContact OG-N 3.36Å; S204-D207 WeakPolarHBondContact CB-OD2 3.29Å; S204-D207 PolarHBondContact OG-OD2 3.28Å
205Y68.5Low82.7Confident66 Ų6635.5 Ų35.526%0.25919%0.188SC..G310 helixtrans-77.8-15168.6-63.5-70.8000112.8D207 L208 L232 A236 K239Y205-D207 PolarHBondContact O-N 3.04Å; Y205-L208 HydrophobicContact CD1-CD1 4.3Å; Y205-L208 WeakPolarHBondContact O-CG 3.34Å; Y205-L208 PolarHBondContact O-N 3.2Å; Y205-L232 HydrophobicContact CD1-CD1 4.36Å; Y205-L232 HydrophobicContact CE1-CD1 3.64Å; Y205-A236 HydrophobicContact CD1-CB 3.44Å; Y205-A236 VanDerWaalsContact CD1-CB 3.44Å; Y205-A236 HydrophobicContact CE1-CB 3.73Å; Y205-A236 HydrophobicContact CG-CB 4.28Å; Y205-K239 HydrophobicContact CD2-CD 3.66Å; Y205-K239 HydrophobicContact CE2-CD 4.08Å
206G62.9Low83Confident68 Ų6829.8 Ų29.870%0.70117%0.166SC*.G310 helixtrans-71.8-5177.400000113.5S204S204-G206 VanDerWaalsContact C-N 3.28Å; S204-G206 PolarHBondContact OG-N 3.36Å
207D66.6Low83.1Confident47 Ų4727.5 Ų27.525%0.25116%0.156SC..G310 helixtrans-94.33.3175.6-75.1-69.2000113.9R144 F201 S204 Y205R144-D207 IonicContact CZ-OD1 2.66Å; R144-D207 IonicContact NH1-OD1 2.75Å; R144-D207 PolarHBondContact NH1-OD1 2.98Å; R144-D207 VanDerWaalsContact NH2-C 3.33Å; R144-D207 VanDerWaalsContact NH2-CB 3.3Å; R144-D207 PolarHBondContact NH2-O 3.26Å; R144-D207 IonicContact NH2-OD1 3.91Å; R144-D207 PolarHBondContact NH2-OD1 3.08Å; F201-D207 HydrophobicContact CD1-CB 4.36Å; F201-D207 HydrophobicContact CE1-CB 4.24Å; S204-D207 WeakPolarHBondContact CB-OD2 3.29Å; S204-D207 PolarHBondContact OG-OD2 3.28Å; Y205-D207 PolarHBondContact O-N 3.04Å
208L83.9Confident83.3Confident6 Ų627.5 Ų27.53%0.03116%0.156CC..  trans-75132.6172.9-65.9173.1000111F201 Y205 S212 L216 A236 V263 M266F201-L208 HydrophobicContact CD1-CD2 3.78Å; F201-L208 HydrophobicContact CD1-CG 4.41Å; F201-L208 HydrophobicContact CE1-CD2 4.1Å; F201-L208 HydrophobicContact CG-CD2 4.34Å; Y205-L208 HydrophobicContact CD1-CD1 4.3Å; Y205-L208 WeakPolarHBondContact O-CG 3.34Å; Y205-L208 PolarHBondContact O-N 3.2Å; L208-S212 WeakPolarHBondContact CA-OG 3.45Å; L208-L216 HydrophobicContact CD2-CD1 3.89Å; L208-A236 HydrophobicContact CD1-CB 3.56Å; L208-V263 HydrophobicContact CD1-CG1 4.29Å; L208-V263 HydrophobicContact CD1-CG2 4.43Å; L208-M266 HydrophobicContact CB-SD 4.32Å; L208-M266 VanDerWaalsContact O-CE 3.25Å; L208-M266 WeakPolarHBondContact O-CE 3.39Å
209C87.3Confident83.6Confident5 Ų527.3 Ų27.33%0.03416%0.155CC..  trans-139.9166.8169.962.50000109.4R144 F211 S212 V213R144-C209 HydrophobicContact CB-CB 4.35Å; R144-C209 HydrophobicContact CG-CB 3.93Å; C209-F211 VanDerWaalsContact C-N 3.32Å; C209-F211 PolarHBondContact O-N 3.19Å; C209-S212 PolarHBondContact N-OG 3.04Å; C209-S212 PolarHBondContact O-N 2.94Å; C209-S212 PolarHBondContact O-OG 2.85Å; C209-V213 PolarHBondContact O-N 3.25Å
210P89.3Confident83.8Confident7 Ų721.9 Ų21.95%0.04513%0.131CC..Hα-helixtrans-50.6-47.1180-28.236.6000113.5S212 V213 A214 M266 T270P210-S212 PolarHBondContact O-N 3.43Å; P210-V213 PolarHBondContact O-N 2.94Å; P210-A214 PolarHBondContact O-N 3.28Å; P210-M266 HydrophobicContact CG-CB 4.49Å; P210-T270 PolarHBondContact O-OG1 3.33Å
211F91.6Very high84.1Confident0 Ų024.7 Ų24.70%014%0.139CC..Hα-helixtrans-54.1-46.3173.9174.8-98.2000113.6I139 V140 F143 E176 V179 I180 C209 V213 A214 L215I139-F211 HydrophobicContact CG2-CE1 4.21Å; I139-F211 HydrophobicContact CG2-CZ 4.09Å; V140-F211 HydrophobicContact CG2-CD1 4.41Å; V140-F211 HydrophobicContact CG2-CE1 4.1Å; F143-F211 HydrophobicContact CB-CB 4.02Å; F143-F211 HydrophobicContact CB-CD1 3.76Å; F143-F211 HydrophobicContact CB-CD2 3.83Å; F143-F211 HydrophobicContact CB-CE1 4.17Å; F143-F211 HydrophobicContact CB-CE2 4.22Å; F143-F211 HydrophobicContact CB-CG 3.58Å; F143-F211 HydrophobicContact CB-CZ 4.38Å; F143-F211 HydrophobicContact CD1-CD2 4.38Å; F143-F211 HydrophobicContact CD1-CE2 4.45Å; F143-F211 HydrophobicContact CD2-CD1 4.46Å; F143-F211 HydrophobicContact CD2-CD2 4.22Å; F143-F211 HydrophobicContact CD2-CE1 4.02Å; F143-F211 AromaticContact CD2-CE2 3.73Å; F143-F211 HydrophobicContact CD2-CE2 3.73Å; F143-F211 AromaticContact CD2-CZ 3.63Å; F143-F211 HydrophobicContact CD2-CZ 3.63Å; F143-F211 HydrophobicContact CE2-CE2 4.26Å; F143-F211 HydrophobicContact CE2-CZ 4.24Å; F143-F211 HydrophobicContact CG-CD1 4.38Å; F143-F211 AromaticContact CG-CD2 3.87Å; F143-F211 HydrophobicContact CG-CD2 3.87Å; F143-F211 HydrophobicContact CG-CE1 4.38Å; F143-F211 AromaticContact CG-CE2 3.86Å; F143-F211 HydrophobicContact CG-CE2 3.86Å; F143-F211 HydrophobicContact CG-CG 4.13Å; F143-F211 HydrophobicContact CG-CZ 4.12Å; E176-F211 HydrophobicContact CB-CD2 3.98Å; E176-F211 HydrophobicContact CB-CE2 4.21Å; E176-F211 HydrophobicContact CG-CD2 3.79Å; E176-F211 HydrophobicContact CG-CE2 4.23Å; V179-F211 HydrophobicContact CG1-CE2 4.25Å; V179-F211 HydrophobicContact CG1-CZ 3.91Å; I180-F211 HydrophobicContact CD1-CD2 4.03Å; I180-F211 HydrophobicContact CD1-CE2 3.98Å; I180-F211 HydrophobicContact CG1-CD2 4.21Å; I180-F211 HydrophobicContact CG1-CE2 3.65Å; I180-F211 HydrophobicContact CG1-CZ 4.13Å; C209-F211 VanDerWaalsContact C-N 3.32Å; C209-F211 PolarHBondContact O-N 3.19Å; F211-V213 VanDerWaalsContact C-N 3.35Å; F211-V213 PolarHBondContact O-N 2.8Å; F211-A214 PolarHBondContact O-N 2.95Å; F211-L215 WeakPolarHBondContact O-CB 3.38Å; F211-L215 PolarHBondContact O-N 2.91Å
212S91.6Very high84.5Confident0 Ų025.5 Ų25.50%014%0.144CC..Hα-helixtrans-68.1-33-179.773.30000113.1L208 C209 P210 L215 L216L208-S212 WeakPolarHBondContact CA-OG 3.45Å; C209-S212 PolarHBondContact N-OG 3.04Å; C209-S212 PolarHBondContact O-N 2.94Å; C209-S212 PolarHBondContact O-OG 2.85Å; P210-S212 PolarHBondContact O-N 3.43Å; S212-L215 PolarHBondContact O-N 3.31Å; S212-L216 WeakPolarHBondContact O-CB 3.41Å; S212-L216 VanDerWaalsContact O-CG 3.29Å; S212-L216 WeakPolarHBondContact O-CG 3.37Å; S212-L216 PolarHBondContact O-N 3.21Å
213V92.9Very high84.9Confident0 Ų028.4 Ų28.40%016%0.16CC..Hα-helixtrans-69.1-46.3175.91730000109.3C209 P210 F211 L215 L216 L217 I267 T270C209-V213 PolarHBondContact O-N 3.25Å; P210-V213 PolarHBondContact O-N 2.94Å; F211-V213 VanDerWaalsContact C-N 3.35Å; F211-V213 PolarHBondContact O-N 2.8Å; V213-L215 VanDerWaalsContact C-N 3.31Å; V213-L215 PolarHBondContact O-N 3.01Å; V213-L216 PolarHBondContact O-N 3.29Å; V213-L217 HydrophobicContact CG1-CD1 3.78Å; V213-L217 HydrophobicContact CG1-CG 4.42Å; V213-L217 WeakPolarHBondContact O-CB 3.23Å; V213-L217 WeakPolarHBondContact O-CD1 3.25Å; V213-L217 WeakPolarHBondContact O-CG 3.34Å; V213-L217 PolarHBondContact O-N 3.4Å; V213-I267 HydrophobicContact CG1-CG1 3.92Å; V213-I267 HydrophobicContact CG2-CG1 4.48Å; V213-T270 HydrophobicContact CG1-CG2 4.14Å
214A92.8Very high86Confident0 Ų029.6 Ų29.60%015%0.153CC..Hα-helixtrans-57.6-42.2173.100000112.4I180 P210 F211 S218 T270 W278 V281I180-A214 HydrophobicContact CD1-CB 3.67Å; P210-A214 PolarHBondContact O-N 3.28Å; F211-A214 PolarHBondContact O-N 2.95Å; A214-S218 WeakPolarHBondContact O-CB 3.41Å; A214-S218 PolarHBondContact O-N 3.06Å; A214-S218 PolarHBondContact O-OG 3.13Å; A214-T270 HydrophobicContact CB-CG2 3.88Å; A214-W278 HydrophobicContact CB-CE3 3.97Å; A214-W278 HydrophobicContact CB-CH2 4.25Å; A214-W278 HydrophobicContact CB-CZ3 3.58Å; A214-V281 HydrophobicContact CB-CG2 4.11Å
215L93.6Very high87.2Confident2 Ų228.3 Ų28.31%0.0114%0.144CC..Hα-helixtrans-61.5-50.6174.5176.659.2000111.8V140 I180 V183 V184 L197 F211 S212 V213 L217 S218 V219V140-L215 HydrophobicContact CG2-CD2 4.46Å; I180-L215 HydrophobicContact CG1-CB 4.22Å; I180-L215 HydrophobicContact CG1-CD1 4.45Å; I180-L215 HydrophobicContact CG2-CD1 4.1Å; V183-L215 HydrophobicContact CB-CD1 3.87Å; V183-L215 HydrophobicContact CG1-CD1 3.72Å; V183-L215 HydrophobicContact CG1-CD2 4.22Å; V184-L215 HydrophobicContact CG2-CD1 4.15Å; L197-L215 HydrophobicContact CD1-CD2 4.1Å; L197-L215 HydrophobicContact CD2-CD2 4.22Å; L197-L215 HydrophobicContact CD2-CG 4.34Å; F211-L215 WeakPolarHBondContact O-CB 3.38Å; F211-L215 PolarHBondContact O-N 2.91Å; S212-L215 PolarHBondContact O-N 3.31Å; V213-L215 VanDerWaalsContact C-N 3.31Å; V213-L215 PolarHBondContact O-N 3.01Å; L215-L217 PolarHBondContact O-N 3.14Å; L215-S218 WeakPolarHBondContact O-CB 3.46Å; L215-S218 PolarHBondContact O-N 2.91Å; L215-S218 VanDerWaalsContact O-N 3.16Å; L215-V219 HydrophobicContact CD1-CG2 4.28Å; L215-V219 WeakPolarHBondContact O-CG2 3.38Å; L215-V219 PolarHBondContact O-N 2.74Å
216L93.3Very high88.3Confident0 Ų027.8 Ų27.80%014%0.144CC..Hα-helixtrans-59.1-47.6179.3-76.6169.8000111.5L198 F201 L208 S212 V213 S218 V219 A220 V229 L232 L233L198-L216 HydrophobicContact CD2-CD2 4.08Å; F201-L216 HydrophobicContact CD2-CD1 4.18Å; F201-L216 HydrophobicContact CD2-CD2 4.15Å; F201-L216 HydrophobicContact CD2-CG 4.44Å; F201-L216 HydrophobicContact CE2-CD1 4.46Å; F201-L216 HydrophobicContact CE2-CD2 4.48Å; F201-L216 HydrophobicContact CE2-CG 4.48Å; F201-L216 HydrophobicContact CG-CD1 4.47Å; L208-L216 HydrophobicContact CD2-CD1 3.89Å; S212-L216 WeakPolarHBondContact O-CB 3.41Å; S212-L216 VanDerWaalsContact O-CG 3.29Å; S212-L216 WeakPolarHBondContact O-CG 3.37Å; S212-L216 PolarHBondContact O-N 3.21Å; V213-L216 PolarHBondContact O-N 3.29Å; L216-S218 VanDerWaalsContact C-N 3.27Å; L216-S218 PolarHBondContact O-N 3.44Å; L216-V219 CarbonylContact O-C 3.4Å; L216-V219 WeakPolarHBondContact O-CA 3.24Å; L216-V219 WeakPolarHBondContact O-CB 3.23Å; L216-V219 PolarHBondContact O-N 3.08Å; L216-V219 VanDerWaalsContact O-N 3.09Å; L216-A220 PolarHBondContact O-N 3.28Å; L216-V229 HydrophobicContact CB-CG1 4.03Å; L216-V229 HydrophobicContact CD2-CG2 4.32Å; L216-V229 WeakPolarHBondContact O-CG1 3.48Å; L216-L232 HydrophobicContact CD1-CD2 3.89Å; L216-L232 HydrophobicContact CD2-CD2 3.92Å; L216-L233 HydrophobicContact CB-CD1 4.41Å; L216-L233 HydrophobicContact CD1-CD2 3.93Å
217L93.1Very high89.6Confident0 Ų031.5 Ų31.50%014%0.143CC..Hα-helixtrans-59.9-37.2175.8-67.5165.1000112.3V213 L215 V219 A220 L233 T270 V281 L285 L288V213-L217 HydrophobicContact CG1-CD1 3.78Å; V213-L217 HydrophobicContact CG1-CG 4.42Å; V213-L217 WeakPolarHBondContact O-CB 3.23Å; V213-L217 WeakPolarHBondContact O-CD1 3.25Å; V213-L217 WeakPolarHBondContact O-CG 3.34Å; V213-L217 PolarHBondContact O-N 3.4Å; L215-L217 PolarHBondContact O-N 3.14Å; L217-V219 VanDerWaalsContact C-N 3.35Å; L217-A220 WeakPolarHBondContact O-CB 3.28Å; L217-A220 PolarHBondContact O-N 3.38Å; L217-L233 HydrophobicContact CD2-CD1 4Å; L217-L233 HydrophobicContact CG-CD1 4.28Å; L217-T270 HydrophobicContact CD1-CG2 4.17Å; L217-V281 HydrophobicContact CB-CG1 4.07Å; L217-V281 HydrophobicContact CD1-CG1 3.91Å; L217-L285 HydrophobicContact CD1-CD2 3.44Å; L217-L285 VanDerWaalsContact CD1-CD2 3.44Å; L217-L285 HydrophobicContact CD1-CG 3.92Å; L217-L288 HydrophobicContact CD2-CB 4.13Å; L217-L288 HydrophobicContact CD2-CD2 3.8Å
218S93.3Very high90.9Very high0 Ų032.7 Ų32.70%015%0.147CC..Hα-helixtrans-71.4-29.1176.2-57.30000113.4I180 A214 L215 L216 R221 H280 V281I180-S218 VanDerWaalsContact CG2-CB 3.48Å; I180-S218 VanDerWaalsContact CG2-OG 3.28Å; I180-S218 WeakPolarHBondContact CG2-OG 3.45Å; A214-S218 WeakPolarHBondContact O-CB 3.41Å; A214-S218 PolarHBondContact O-N 3.06Å; A214-S218 PolarHBondContact O-OG 3.13Å; L215-S218 WeakPolarHBondContact O-CB 3.46Å; L215-S218 PolarHBondContact O-N 2.91Å; L215-S218 VanDerWaalsContact O-N 3.16Å; L216-S218 VanDerWaalsContact C-N 3.27Å; L216-S218 PolarHBondContact O-N 3.44Å; S218-R221 PolarHBondContact O-NE 3.08Å; S218-H280 PolarHBondContact OG-ND1 2.76Å; S218-V281 VanDerWaalsContact OG-CG2 3.31Å; S218-V281 WeakPolarHBondContact OG-CG2 3.42Å
219V93.1Very high91.3Very high1 Ų132.4 Ų32.41%0.00615%0.145CC..Hα-helixtrans-73.9-30.3171.5170.80000111.5V184 I187 L197 L215 L216 L217 R221 V222 Y225 V229V184-V219 HydrophobicContact CG2-CG2 3.81Å; I187-V219 HydrophobicContact CD1-CG2 3.59Å; L197-V219 HydrophobicContact CD2-CG2 4.19Å; L215-V219 HydrophobicContact CD1-CG2 4.28Å; L215-V219 WeakPolarHBondContact O-CG2 3.38Å; L215-V219 PolarHBondContact O-N 2.74Å; L216-V219 CarbonylContact O-C 3.4Å; L216-V219 WeakPolarHBondContact O-CA 3.24Å; L216-V219 WeakPolarHBondContact O-CB 3.23Å; L216-V219 PolarHBondContact O-N 3.08Å; L216-V219 VanDerWaalsContact O-N 3.09Å; L217-V219 VanDerWaalsContact C-N 3.35Å; V219-R221 PolarHBondContact O-N 2.83Å; V219-V222 WeakPolarHBondContact O-CB 3.25Å; V219-V222 PolarHBondContact O-N 2.94Å; V219-Y225 HydrophobicContact CG1-CD2 4.02Å; V219-Y225 HydrophobicContact CG1-CG 4.21Å; V219-V229 HydrophobicContact CG1-CG2 4.31Å
220A91.9Very high91.6Very high0 Ų032.8 Ų32.80%015%0.146CC..Hα-helixtrans-57.9-30.2177.500000112.8L216 L217 V222 E226 V229 F230L216-A220 PolarHBondContact O-N 3.28Å; L217-A220 WeakPolarHBondContact O-CB 3.28Å; L217-A220 PolarHBondContact O-N 3.38Å; A220-V222 CarbonylContact O-C 3.58Å; A220-V222 PolarHBondContact O-N 3.48Å; A220-E226 WeakPolarHBondContact O-CB 3.35Å; A220-V229 HydrophobicContact CB-CB 4.23Å; A220-V229 HydrophobicContact CB-CG1 4.07Å; A220-F230 HydrophobicContact CB-CE1 3.86Å; A220-F230 HydrophobicContact CB-CZ 3.95Å
221R88.8Confident91.7Very high76 Ų7635.8 Ų35.829%0.28716%0.162SC..THydrogen-bonded Turntrans-58.6-9.3170.5-57.8-172.9-58.6158.11.5114.7S218 V219 H280S218-R221 PolarHBondContact O-NE 3.08Å; V219-R221 PolarHBondContact O-N 2.83Å; R221-H280 VanDerWaalsContact CD-O 3.24Å; R221-H280 WeakPolarHBondContact CD-O 3.45Å; R221-H280 PolarHBondContact NE-O 3.02Å; R221-H280 VanDerWaalsContact NH2-CB 3.35Å
222V89.6Confident91.7Very high21 Ų2136 Ų3613%0.12716%0.163CC..SBendtrans-96.999.6170.1-173.20000107.4R188 V219 A220 R224 Y225 E226R188-V222 HydrophobicContact CG-CG2 3.78Å; V219-V222 WeakPolarHBondContact O-CB 3.25Å; V219-V222 PolarHBondContact O-N 2.94Å; A220-V222 CarbonylContact O-C 3.58Å; A220-V222 PolarHBondContact O-N 3.48Å; V222-R224 HydrophobicContact CG1-CG 4.15Å; V222-R224 PolarHBondContact O-N 2.88Å; V222-Y225 HydrophobicContact CB-CD2 4.08Å; V222-Y225 HydrophobicContact CG1-CD2 3.97Å; V222-Y225 HydrophobicContact CG1-CE2 4.36Å; V222-Y225 PolarHBondContact O-N 3.43Å; V222-E226 PolarHBondContact O-N 2.97Å
223Q86.9Confident91.7Very high168 Ų16836 Ų3679%0.78516%0.163SC*.Hα-helixtrans-42.5-34.6-169.6-164.3178.617.500116Y225Q223-Y225 PolarHBondContact O-N 3.47Å
224R89.3Confident91.7Very high127 Ų12738.4 Ų38.448%0.47917%0.174SC..Hα-helixtrans-66.4-17.7177.278.6177.4-65.5156.211115.3H191 V222 Q228H191-R224 PolarHBondContact CD2-NH1 3.24Å; H191-R224 PolarHBondContact NE2-NH1 3.26Å; V222-R224 HydrophobicContact CG1-CG 4.15Å; V222-R224 PolarHBondContact O-N 2.88Å; R224-Q228 PolarHBondContact O-NE2 2.7Å
225Y90.8Very high91.5Very high1 Ų139.6 Ų39.60%0.00419%0.186CC..Hα-helixtrans-114-14.4-176-62.2-56.2000112.7I187 H191 L198 V219 V222 Q223 E227 Q228 V229I187-Y225 HydrophobicContact CG2-CD2 4.11Å; I187-Y225 HydrophobicContact CG2-CE2 3.56Å; H191-Y225 WeakPolarHBondContact CA-OH 3.29Å; H191-Y225 PolarHBondContact O-OH 3.45Å; L198-Y225 HydrophobicContact CD1-CD1 3.58Å; L198-Y225 HydrophobicContact CD1-CE1 4.17Å; L198-Y225 HydrophobicContact CD1-CG 4.35Å; V219-Y225 HydrophobicContact CG1-CD2 4.02Å; V219-Y225 HydrophobicContact CG1-CG 4.21Å; V222-Y225 HydrophobicContact CB-CD2 4.08Å; V222-Y225 HydrophobicContact CG1-CD2 3.97Å; V222-Y225 HydrophobicContact CG1-CE2 4.36Å; V222-Y225 PolarHBondContact O-N 3.43Å; Q223-Y225 PolarHBondContact O-N 3.47Å; Y225-E227 PolarHBondContact O-N 2.82Å; Y225-Q228 CarbonylContact O-C 3.51Å; Y225-Q228 PolarHBondContact O-N 3.15Å; Y225-Q228 VanDerWaalsContact O-N 3.12Å; Y225-V229 WeakPolarHBondContact O-CB 3.39Å; Y225-V229 WeakPolarHBondContact O-CG2 3.3Å; Y225-V229 PolarHBondContact O-N 2.86Å
226E91Very high91.3Very high54 Ų5439.5 Ų39.525%0.25219%0.186SC..Hα-helixtrans-46.5-63.1-179-171.5173.9-167.200112.8A220 V222 Q228 V229 F230 Q287A220-E226 WeakPolarHBondContact O-CB 3.35Å; V222-E226 PolarHBondContact O-N 2.97Å; E226-Q228 VanDerWaalsContact C-N 3.32Å; E226-Q228 PolarHBondContact O-N 3.13Å; E226-V229 PolarHBondContact O-N 3.08Å; E226-F230 HydrophobicContact CG-CD2 3.99Å; E226-F230 HydrophobicContact CG-CE2 3.44Å; E226-F230 VanDerWaalsContact CG-CE2 3.44Å; E226-F230 HydrophobicContact CG-CZ 4.12Å; E226-F230 WeakPolarHBondContact O-CD2 3.35Å; E226-F230 WeakPolarHBondContact O-CG 3.36Å; E226-F230 PolarHBondContact O-N 3.3Å; E226-Q287 PolarHBondContact OE1-NE2 3.44Å
227E91.8Very high91.2Very high146 Ų14639.6 Ų39.668%0.68219%0.186SC*.Hα-helixtrans-58.1-41.9177.9-174.8179.8-15700112.1Y225 V229 F230 D231Y225-E227 PolarHBondContact O-N 2.82Å; E227-V229 PolarHBondContact O-N 3.29Å; E227-F230 PolarHBondContact O-N 3.38Å; E227-D231 WeakPolarHBondContact O-CB 3.34Å; E227-D231 PolarHBondContact O-N 2.94Å
228Q92.4Very high91.1Very high73 Ų7340.9 Ų40.934%0.34119%0.193SC..Hα-helixtrans-68.5-32.2-178.9-64.5-173.569.200113.4L198 R224 Y225 E226 L232L198-Q228 HydrophobicContact CD1-CB 3.98Å; R224-Q228 PolarHBondContact O-NE2 2.7Å; Y225-Q228 CarbonylContact O-C 3.51Å; Y225-Q228 PolarHBondContact O-N 3.15Å; Y225-Q228 VanDerWaalsContact O-N 3.12Å; E226-Q228 VanDerWaalsContact C-N 3.32Å; E226-Q228 PolarHBondContact O-N 3.13Å; Q228-L232 VanDerWaalsContact O-CB 3.29Å; Q228-L232 WeakPolarHBondContact O-CB 3.33Å; Q228-L232 PolarHBondContact O-N 2.74Å
229V93.6Very high90.8Very high0 Ų044.8 Ų44.80%021%0.21CC..Hα-helixtrans-72.8-47.6174166.60000109.9L198 L216 V219 A220 Y225 E226 E227 D231 L232 L233L198-V229 HydrophobicContact CD2-CG2 3.88Å; L216-V229 HydrophobicContact CB-CG1 4.03Å; L216-V229 HydrophobicContact CD2-CG2 4.32Å; L216-V229 WeakPolarHBondContact O-CG1 3.48Å; V219-V229 HydrophobicContact CG1-CG2 4.31Å; A220-V229 HydrophobicContact CB-CB 4.23Å; A220-V229 HydrophobicContact CB-CG1 4.07Å; Y225-V229 WeakPolarHBondContact O-CB 3.39Å; Y225-V229 WeakPolarHBondContact O-CG2 3.3Å; Y225-V229 PolarHBondContact O-N 2.86Å; E226-V229 PolarHBondContact O-N 3.08Å; E227-V229 PolarHBondContact O-N 3.29Å; V229-D231 VanDerWaalsContact C-N 3.34Å; V229-D231 PolarHBondContact O-N 3.49Å; V229-L232 WeakPolarHBondContact O-CB 3.43Å; V229-L232 PolarHBondContact O-N 3.2Å; V229-L233 HydrophobicContact CG1-CD1 3.81Å; V229-L233 HydrophobicContact CG1-CG 4.37Å; V229-L233 WeakPolarHBondContact O-CG 3.47Å; V229-L233 PolarHBondContact O-N 3.39Å
230F93.3Very high90.6Very high12 Ų1244.9 Ų44.95%0.05321%0.211CC..Hα-helixtrans-65.8-36.9-179.9-63.2-29.2000111.9A220 E226 E227 K234 Q287 L288 F291A220-F230 HydrophobicContact CB-CE1 3.86Å; A220-F230 HydrophobicContact CB-CZ 3.95Å; E226-F230 HydrophobicContact CG-CD2 3.99Å; E226-F230 HydrophobicContact CG-CE2 3.44Å; E226-F230 VanDerWaalsContact CG-CE2 3.44Å; E226-F230 HydrophobicContact CG-CZ 4.12Å; E226-F230 WeakPolarHBondContact O-CD2 3.35Å; E226-F230 WeakPolarHBondContact O-CG 3.36Å; E226-F230 PolarHBondContact O-N 3.3Å; E227-F230 PolarHBondContact O-N 3.38Å; F230-K234 WeakPolarHBondContact O-CB 3.48Å; F230-K234 PolarHBondContact O-N 3.41Å; F230-Q287 HydrophobicContact CE1-CB 4.41Å; F230-Q287 HydrophobicContact CE2-CB 3.89Å; F230-Q287 HydrophobicContact CZ-CB 3.51Å; F230-Q287 HydrophobicContact CZ-CG 4.49Å; F230-L288 HydrophobicContact CD1-CB 4.11Å; F230-L288 HydrophobicContact CD1-CD1 4.04Å; F230-L288 HydrophobicContact CE1-CB 4Å; F230-F291 HydrophobicContact CB-CD1 3.82Å; F230-F291 HydrophobicContact CB-CE1 3.67Å; F230-F291 HydrophobicContact CB-CG 4.35Å; F230-F291 HydrophobicContact CB-CZ 4.1Å
231D91.3Very high90.4Very high71 Ų7145.9 Ų45.938%0.3822%0.215SC..Hα-helixtrans-64.9-39.7171.5-89-4.9000113.2E227 V229 K234 G235E227-D231 WeakPolarHBondContact O-CB 3.34Å; E227-D231 PolarHBondContact O-N 2.94Å; V229-D231 VanDerWaalsContact C-N 3.34Å; V229-D231 PolarHBondContact O-N 3.49Å; D231-K234 WeakPolarHBondContact OD1-CE 3.35Å; D231-K234 IonicContact OD1-NZ 2.75Å; D231-K234 PolarHBondContact OD1-NZ 2.95Å; D231-G235 PolarHBondContact O-N 2.93Å
232L91.6Very high90.4Very high4 Ų448.1 Ų48.12%0.02123%0.226CC..Hα-helixtrans-62.5-51.3174.9172.971.5000111.1L198 F201 K202 Y205 L216 Q228 V229 G235 A236L198-L232 HydrophobicContact CD2-CD2 4.09Å; F201-L232 HydrophobicContact CB-CD1 4.1Å; F201-L232 HydrophobicContact CB-CD2 3.75Å; F201-L232 HydrophobicContact CB-CG 4.47Å; K202-L232 HydrophobicContact CG-CD1 3.81Å; Y205-L232 HydrophobicContact CD1-CD1 4.36Å; Y205-L232 HydrophobicContact CE1-CD1 3.64Å; L216-L232 HydrophobicContact CD1-CD2 3.89Å; L216-L232 HydrophobicContact CD2-CD2 3.92Å; Q228-L232 VanDerWaalsContact O-CB 3.29Å; Q228-L232 WeakPolarHBondContact O-CB 3.33Å; Q228-L232 PolarHBondContact O-N 2.74Å; V229-L232 WeakPolarHBondContact O-CB 3.43Å; V229-L232 PolarHBondContact O-N 3.2Å; L232-G235 PolarHBondContact O-N 3.01Å; L232-A236 WeakPolarHBondContact O-CB 3.24Å; L232-A236 PolarHBondContact O-N 3.39Å
233L91.8Very high90.2Very high1 Ų147.9 Ų47.91%0.00522%0.224CC..Hα-helixtrans-67.1-39-179.2-68.2174.2000111.6L216 L217 V229 G235 A236 V237 L288L216-L233 HydrophobicContact CB-CD1 4.41Å; L216-L233 HydrophobicContact CD1-CD2 3.93Å; L217-L233 HydrophobicContact CD2-CD1 4Å; L217-L233 HydrophobicContact CG-CD1 4.28Å; V229-L233 HydrophobicContact CG1-CD1 3.81Å; V229-L233 HydrophobicContact CG1-CG 4.37Å; V229-L233 WeakPolarHBondContact O-CG 3.47Å; V229-L233 PolarHBondContact O-N 3.39Å; L233-G235 VanDerWaalsContact C-N 3.35Å; L233-G235 PolarHBondContact O-N 3.34Å; L233-A236 WeakPolarHBondContact O-CB 3.29Å; L233-A236 PolarHBondContact O-N 3.11Å; L233-V237 WeakPolarHBondContact O-CG2 3.44Å; L233-V237 PolarHBondContact O-N 3.2Å; L233-L288 HydrophobicContact CB-CD1 4.38Å; L233-L288 HydrophobicContact CB-CD2 4.18Å; L233-L288 HydrophobicContact CD1-CD2 3.73Å
234K91.9Very high90.1Very high49 Ų4942 Ų4221%0.21320%0.197CC..Hα-helixtrans-57.3-46.4170.1175.2179.169-165.50112F230 D231 I238 F291 T295 F296F230-K234 WeakPolarHBondContact O-CB 3.48Å; F230-K234 PolarHBondContact O-N 3.41Å; D231-K234 WeakPolarHBondContact OD1-CE 3.35Å; D231-K234 IonicContact OD1-NZ 2.75Å; D231-K234 PolarHBondContact OD1-NZ 2.95Å; K234-I238 PolarHBondContact O-N 3.11Å; K234-I238 VanDerWaalsContact O-N 3.09Å; K234-F291 HydrophobicContact CB-CE1 3.99Å; K234-F291 HydrophobicContact CD-CE1 3.77Å; K234-F291 HydrophobicContact CD-CZ 4.16Å; K234-F291 HydrophobicContact CG-CE1 4.4Å; K234-T295 HydrophobicContact CD-CG2 3.99Å; K234-F296 HydrophobicContact CD-CE2 4.24Å; K234-F296 HydrophobicContact CD-CZ 3.92Å; K234-F296 HydrophobicContact CG-CE2 3.78Å; K234-F296 HydrophobicContact CG-CZ 3.57Å
235G90.3Very high89.9Confident25 Ų2539.7 Ų39.726%0.25819%0.191SC..Hα-helixtrans-60.5-44.8175.700000112D231 L232 L233 K239D231-G235 PolarHBondContact O-N 2.93Å; L232-G235 PolarHBondContact O-N 3.01Å; L233-G235 VanDerWaalsContact C-N 3.35Å; L233-G235 PolarHBondContact O-N 3.34Å; G235-K239 VanDerWaalsContact O-CB 3.23Å; G235-K239 WeakPolarHBondContact O-CB 3.32Å; G235-K239 PolarHBondContact O-N 3.48Å
236A89.3Confident89.7Confident1 Ų142 Ų421%0.00820%0.203CC..Hα-helixtrans-61.6-49.2177.200000112.6Y205 L208 L232 L233 K239 S240 V263Y205-A236 HydrophobicContact CD1-CB 3.44Å; Y205-A236 VanDerWaalsContact CD1-CB 3.44Å; Y205-A236 HydrophobicContact CE1-CB 3.73Å; Y205-A236 HydrophobicContact CG-CB 4.28Å; L208-A236 HydrophobicContact CD1-CB 3.56Å; L232-A236 WeakPolarHBondContact O-CB 3.24Å; L232-A236 PolarHBondContact O-N 3.39Å; L233-A236 WeakPolarHBondContact O-CB 3.29Å; L233-A236 PolarHBondContact O-N 3.11Å; A236-K239 PolarHBondContact O-N 3.19Å; A236-S240 WeakPolarHBondContact O-CB 2.98Å; A236-S240 PolarHBondContact O-N 3.49Å; A236-V263 HydrophobicContact CB-CG1 4.22Å
237V90.8Very high89.4Confident1 Ų140.2 Ų40.21%0.00620%0.195CC..Hα-helixtrans-61.6-49.7-179.9168.50000111.4L233 K239 S240 Y241 V263 I267 A321 L324L233-V237 WeakPolarHBondContact O-CG2 3.44Å; L233-V237 PolarHBondContact O-N 3.2Å; V237-K239 VanDerWaalsContact C-N 3.32Å; V237-K239 PolarHBondContact O-N 2.85Å; V237-S240 PolarHBondContact O-N 3.5Å; V237-Y241 HydrophobicContact CG1-CD2 3.78Å; V237-Y241 HydrophobicContact CG1-CE2 3.61Å; V237-Y241 WeakPolarHBondContact O-CD2 3.34Å; V237-Y241 PolarHBondContact O-N 3.31Å; V237-V263 HydrophobicContact CG2-CG1 4.13Å; V237-I267 HydrophobicContact CG2-CD1 3.42Å; V237-I267 VanDerWaalsContact CG2-CD1 3.42Å; V237-A321 HydrophobicContact CG1-CB 3.88Å; V237-L324 HydrophobicContact CG1-CD2 3.83Å; V237-L324 HydrophobicContact CG2-CD2 4.04Å
238I90.2Very high89Confident27 Ų2738.6 Ų38.614%0.13819%0.188CC..Hα-helixtrans-66.5-35.6179-69-63.9000111.7K234 K242 F296 P317 A321K234-I238 PolarHBondContact O-N 3.11Å; K234-I238 VanDerWaalsContact O-N 3.09Å; I238-K242 HydrophobicContact CG2-CD 4.12Å; I238-K242 WeakPolarHBondContact O-CB 3.46Å; I238-K242 VanDerWaalsContact O-CG 3.28Å; I238-K242 WeakPolarHBondContact O-CG 3.43Å; I238-K242 PolarHBondContact O-N 3.46Å; I238-K242 VanDerWaalsContact O-N 3.09Å; I238-F296 HydrophobicContact CD1-CD1 4.14Å; I238-F296 HydrophobicContact CD1-CD2 4.43Å; I238-F296 HydrophobicContact CD1-CE1 3.64Å; I238-F296 HydrophobicContact CD1-CE2 3.95Å; I238-F296 HydrophobicContact CD1-CZ 3.55Å; I238-F296 HydrophobicContact CG1-CE1 3.75Å; I238-F296 HydrophobicContact CG1-CE2 3.88Å; I238-F296 HydrophobicContact CG1-CZ 3.27Å; I238-P317 HydrophobicContact CD1-CB 4.46Å; I238-P317 WeakPolarHBondContact CD1-O 3.44Å; I238-A321 HydrophobicContact CD1-CB 3.7Å
239K87.7Confident88.6Confident82 Ų8236.9 Ų36.936%0.35719%0.19SC..Hα-helixtrans-65.2-48.5173.7-170.7-175.8176.7-170.50110.7Y205 G235 A236 V237 Y241 K242 D243Y205-K239 HydrophobicContact CD2-CD 3.66Å; Y205-K239 HydrophobicContact CE2-CD 4.08Å; G235-K239 VanDerWaalsContact O-CB 3.23Å; G235-K239 WeakPolarHBondContact O-CB 3.32Å; G235-K239 PolarHBondContact O-N 3.48Å; A236-K239 PolarHBondContact O-N 3.19Å; V237-K239 VanDerWaalsContact C-N 3.32Å; V237-K239 PolarHBondContact O-N 2.85Å; K239-Y241 VanDerWaalsContact C-N 3.35Å; K239-Y241 PolarHBondContact O-N 3.24Å; K239-K242 PolarHBondContact O-N 3.17Å; K239-K242 VanDerWaalsContact O-N 3.12Å; K239-D243 VanDerWaalsContact CE-OD2 3.26Å; K239-D243 WeakPolarHBondContact CE-OD2 3.44Å; K239-D243 WeakPolarHBondContact O-CB 3.37Å; K239-D243 VanDerWaalsContact O-CG 3.25Å; K239-D243 PolarHBondContact O-N 3.17Å
240S88.4Confident88.2Confident4 Ų437 Ų373%0.02819%0.19CC..Hα-helixtrans-55.6-46.8178.6-169.60000112A236 V237 D243 E244 V263A236-S240 WeakPolarHBondContact O-CB 2.98Å; A236-S240 PolarHBondContact O-N 3.49Å; V237-S240 PolarHBondContact O-N 3.5Å; S240-D243 PolarHBondContact O-N 3.44Å; S240-E244 WeakPolarHBondContact O-CB 3.46Å; S240-E244 PolarHBondContact O-N 3.42Å; S240-V263 PolarHBondContact OG-N 3.37Å; S240-V263 VanDerWaalsContact OG-N 3.13Å
241Y88.4Confident87.9Confident21 Ų2139.3 Ų39.38%0.08220%0.2CC..Hα-helixtrans-68.8-33.2177.9-74.9-50.1000113.4V237 K239 Q245 A264 Q320 A321 L324V237-Y241 HydrophobicContact CG1-CD2 3.78Å; V237-Y241 HydrophobicContact CG1-CE2 3.61Å; V237-Y241 WeakPolarHBondContact O-CD2 3.34Å; V237-Y241 PolarHBondContact O-N 3.31Å; K239-Y241 VanDerWaalsContact C-N 3.35Å; K239-Y241 PolarHBondContact O-N 3.24Å; Y241-Q245 WeakPolarHBondContact O-CB 3.34Å; Y241-Q245 PolarHBondContact O-N 3.02Å; Y241-A264 HydrophobicContact CE1-CB 4Å; Y241-A264 HydrophobicContact CE2-CB 4.41Å; Y241-A264 WeakPolarHBondContact OH-CB 3.42Å; Y241-Q320 HydrophobicContact CD1-CB 4.04Å; Y241-Q320 HydrophobicContact CD2-CB 3.87Å; Y241-Q320 HydrophobicContact CE1-CB 3.93Å; Y241-Q320 HydrophobicContact CE2-CB 3.75Å; Y241-Q320 HydrophobicContact CG-CB 4.01Å; Y241-A321 HydrophobicContact CD2-CB 4.44Å; Y241-A321 HydrophobicContact CE2-CB 4.33Å; Y241-L324 HydrophobicContact CE2-CD2 4.38Å
242K87.4Confident87.7Confident122 Ų12237 Ų3753%0.5319%0.187SC..Hα-helixtrans-68.9-44173.4-77.8177.9174.8-170.40112.1I238 K239 Q245 L246 P317I238-K242 HydrophobicContact CG2-CD 4.12Å; I238-K242 WeakPolarHBondContact O-CB 3.46Å; I238-K242 VanDerWaalsContact O-CG 3.28Å; I238-K242 WeakPolarHBondContact O-CG 3.43Å; I238-K242 PolarHBondContact O-N 3.46Å; I238-K242 VanDerWaalsContact O-N 3.09Å; K239-K242 PolarHBondContact O-N 3.17Å; K239-K242 VanDerWaalsContact O-N 3.12Å; K242-Q245 PolarHBondContact O-N 2.9Å; K242-L246 VanDerWaalsContact O-CB 3.3Å; K242-L246 WeakPolarHBondContact O-CB 3.42Å; K242-L246 PolarHBondContact O-N 2.71Å; K242-P317 HydrophobicContact CG-CB 4.15Å; K242-P317 HydrophobicContact CG-CG 3.88Å
243D86.2Confident87.4Confident16 Ų1636.8 Ų36.89%0.08619%0.186CC..Hα-helixtrans-64.6-42.5178.8-711.7000110K239 S240 L246 Q247 H260 W1027K239-D243 VanDerWaalsContact CE-OD2 3.26Å; K239-D243 WeakPolarHBondContact CE-OD2 3.44Å; K239-D243 WeakPolarHBondContact O-CB 3.37Å; K239-D243 VanDerWaalsContact O-CG 3.25Å; K239-D243 PolarHBondContact O-N 3.17Å; S240-D243 PolarHBondContact O-N 3.44Å; D243-L246 PolarHBondContact O-N 3.13Å; D243-Q247 WeakPolarHBondContact O-CB 3.38Å; D243-Q247 PolarHBondContact O-N 2.61Å; D243-H260 IonicContact OD2-NE2 2.87Å; D243-W1027 HydrophobicContact CB-CZ2 3.91Å; D243-W1027 VanDerWaalsContact CG-NE1 3.3Å; D243-W1027 PolarHBondContact OD1-NE1 3.27Å
244E85.1Confident87.1Confident45 Ų4540 Ų4021%0.2120%0.201CC..Hα-helixtrans-62.9-47.7172.7-175.3-17616500112.1S240 L246 Q247 Q248S240-E244 WeakPolarHBondContact O-CB 3.46Å; S240-E244 PolarHBondContact O-N 3.42Å; E244-L246 VanDerWaalsContact C-N 3.31Å; E244-L246 PolarHBondContact O-N 3.09Å; E244-Q247 PolarHBondContact O-N 2.64Å; E244-Q248 WeakPolarHBondContact O-CB 3.5Å; E244-Q248 WeakPolarHBondContact O-CG 3.19Å; E244-Q248 PolarHBondContact O-N 3.04Å; E244-Q248 PolarHBondContact OE1-NE2 3.12Å
245Q85.6Confident86.7Confident78 Ų7842.8 Ų42.836%0.36422%0.218SC..Hα-helixtrans-62.9-36.8177.9-174.1177.920.800112.1Y241 K242 G249 P317Y241-Q245 WeakPolarHBondContact O-CB 3.34Å; Y241-Q245 PolarHBondContact O-N 3.02Å; K242-Q245 PolarHBondContact O-N 2.9Å; Q245-G249 PolarHBondContact O-N 3.07Å; Q245-P317 VanDerWaalsContact OE1-CD 3.28Å; Q245-P317 VanDerWaalsContact OE1-CG 3.27Å
246L85.5Confident86.4Confident49 Ų4943.7 Ų43.726%0.25722%0.217SC..Hα-helixtrans-68.3-44.4176.5-170.970.2000111.2K242 D243 E244 G249 S250 L253 E1024 W1027K242-L246 VanDerWaalsContact O-CB 3.3Å; K242-L246 WeakPolarHBondContact O-CB 3.42Å; K242-L246 PolarHBondContact O-N 2.71Å; D243-L246 PolarHBondContact O-N 3.13Å; E244-L246 VanDerWaalsContact C-N 3.31Å; E244-L246 PolarHBondContact O-N 3.09Å; L246-G249 PolarHBondContact O-N 2.82Å; L246-S250 PolarHBondContact O-N 3.04Å; L246-L253 HydrophobicContact CD2-CD1 4.04Å; L246-L253 HydrophobicContact CG-CD1 3.7Å; L246-E1024 HydrophobicContact CD1-CG 4.29Å; L246-W1027 HydrophobicContact CD2-CB 3.8Å; L246-W1027 HydrophobicContact CD2-CD2 3.67Å; L246-W1027 HydrophobicContact CD2-CE3 4.12Å; L246-W1027 HydrophobicContact CD2-CG 3.49Å; L246-W1027 VanDerWaalsContact CD2-CG 3.49Å
247Q84.9Confident85.9Confident18 Ų1844.6 Ų44.68%0.08422%0.221CC..Hα-helixtrans-66.2-43.4176.5-167.4177.713.800111.7D243 E244 G249 S250 L253 Q254 L257 P258D243-Q247 WeakPolarHBondContact O-CB 3.38Å; D243-Q247 PolarHBondContact O-N 2.61Å; E244-Q247 PolarHBondContact O-N 2.64Å; Q247-G249 PolarHBondContact O-N 3.39Å; Q247-S250 PolarHBondContact O-N 3.26Å; Q247-S250 VanDerWaalsContact O-O 3.11Å; Q247-L253 HydrophobicContact CG-CB 4.29Å; Q247-Q254 HydrophobicContact CG-CG 4.08Å; Q247-Q254 WeakPolarHBondContact O-CG 3.46Å; Q247-Q254 PolarHBondContact O-NE2 3.16Å; Q247-L257 PolarHBondContact NE2-O 2.89Å; Q247-P258 PolarHBondContact NE2-O 2.59Å
248Q83.3Confident85.2Confident112 Ų11249.3 Ų49.352%0.52325%0.252SS..Hα-helixtrans-61.9-32.5173.1-72.6175.18.700112.1E244 Q254 L965E244-Q248 WeakPolarHBondContact O-CB 3.5Å; E244-Q248 WeakPolarHBondContact O-CG 3.19Å; E244-Q248 PolarHBondContact O-N 3.04Å; E244-Q248 PolarHBondContact OE1-NE2 3.12Å; Q248-Q254 PolarHBondContact O-NE2 3.37Å; Q248-L965 WeakPolarHBondContact O-CD2 3.42Å
249G84.2Confident84Confident37 Ų3754.3 Ų54.338%0.38128%0.283SS..Hα-helixtrans-74.3-17.5179.700000115.9Q245 L246 Q247 V964Q245-G249 PolarHBondContact O-N 3.07Å; L246-G249 PolarHBondContact O-N 2.82Å; Q247-G249 PolarHBondContact O-N 3.39Å; G249-V964 VanDerWaalsContact O-CG1 3.25Å; G249-V964 WeakPolarHBondContact O-CG1 3.13Å
250S85.8Confident83Confident1 Ų152.3 Ų52.31%0.00728%0.275CS..  trans-137119.8-175.4177.80000113.2L246 Q247 F252 L253 Q254 E1024L246-S250 PolarHBondContact O-N 3.04Å; Q247-S250 PolarHBondContact O-N 3.26Å; Q247-S250 VanDerWaalsContact O-O 3.11Å; S250-F252 PolarHBondContact O-N 3.02Å; S250-F252 PolarHBondContact OG-N 3.18Å; S250-L253 PolarHBondContact O-N 2.85Å; S250-L253 VanDerWaalsContact O-N 3.14Å; S250-Q254 PolarHBondContact O-N 3.45Å; S250-E1024 WeakPolarHBondContact CB-OE1 3.38Å; S250-E1024 WeakPolarHBondContact CB-OE2 3.28Å; S250-E1024 VanDerWaalsContact OG-CD 3.27Å; S250-E1024 PolarHBondContact OG-OE1 3.19Å; S250-E1024 PolarHBondContact OG-OE2 3.46Å
251K85.9Confident82Confident62 Ų6256.5 Ų56.527%0.2730%0.303SS..Hα-helixtrans-64-31.6177.5-176.250.6175157.90112.3L253 Q254 D255 V964 L965 Y966K251-L253 VanDerWaalsContact C-N 3.3Å; K251-L253 PolarHBondContact O-N 2.96Å; K251-Q254 HydrophobicContact CD-CB 4.3Å; K251-Q254 PolarHBondContact O-N 3.02Å; K251-D255 WeakPolarHBondContact CE-OD1 3.36Å; K251-D255 IonicContact NZ-OD1 3.16Å; K251-D255 PolarHBondContact NZ-OD1 3.27Å; K251-D255 IonicContact NZ-OD2 3.03Å; K251-D255 PolarHBondContact O-N 2.84Å; K251-V964 PolarHBondContact N-O 3.14Å; K251-L965 WeakPolarHBondContact CB-O 3.13Å; K251-Y966 WeakPolarHBondContact CG-O 3.17Å
252F86.6Confident81.6Confident21 Ų2156.8 Ų56.89%0.09231%0.309CS..Hα-helixtrans-58.8-39.8173.9170.2-105.7000112.6S250 L256 T968 L1028 A1059S250-F252 PolarHBondContact O-N 3.02Å; S250-F252 PolarHBondContact OG-N 3.18Å; F252-L256 HydrophobicContact CD1-CD1 4.23Å; F252-L256 HydrophobicContact CD2-CD1 3.99Å; F252-L256 HydrophobicContact CE1-CD1 3.76Å; F252-L256 HydrophobicContact CE2-CD1 3.54Å; F252-L256 HydrophobicContact CE2-CG 4.47Å; F252-L256 HydrophobicContact CG-CD1 4.34Å; F252-L256 HydrophobicContact CZ-CD1 3.4Å; F252-L256 VanDerWaalsContact CZ-CD1 3.4Å; F252-L256 VanDerWaalsContact O-CG 3.31Å; F252-L256 WeakPolarHBondContact O-CG 3.46Å; F252-L256 PolarHBondContact O-N 3.09Å; F252-T968 HydrophobicContact CD2-CG2 4.26Å; F252-T968 WeakPolarHBondContact CD2-OG1 3.44Å; F252-T968 HydrophobicContact CG-CG2 4.38Å; F252-L1028 HydrophobicContact CE1-CD1 3.75Å; F252-L1028 HydrophobicContact CZ-CD1 4.3Å; F252-A1059 HydrophobicContact CE2-CB 3.91Å; F252-A1059 HydrophobicContact CZ-CB 3.9Å
253L85.8Confident81.5Confident0 Ų051.4 Ų51.40%029%0.286CS..Hα-helixtrans-74.9-32.8177-63.1-177.5000112.6L246 Q247 S250 K251 L257 E1024 W1027 L1028L246-L253 HydrophobicContact CD2-CD1 4.04Å; L246-L253 HydrophobicContact CG-CD1 3.7Å; Q247-L253 HydrophobicContact CG-CB 4.29Å; S250-L253 PolarHBondContact O-N 2.85Å; S250-L253 VanDerWaalsContact O-N 3.14Å; K251-L253 VanDerWaalsContact C-N 3.3Å; K251-L253 PolarHBondContact O-N 2.96Å; L253-L257 PolarHBondContact O-N 3.2Å; L253-E1024 HydrophobicContact CD1-CB 4.44Å; L253-E1024 HydrophobicContact CD1-CG 4.08Å; L253-E1024 HydrophobicContact CD2-CB 4.5Å; L253-W1027 HydrophobicContact CD1-CE3 4.36Å; L253-W1027 HydrophobicContact CD1-CZ3 4.32Å; L253-W1027 HydrophobicContact CD2-CE3 4.35Å; L253-W1027 HydrophobicContact CD2-CZ3 4.23Å; L253-L1028 HydrophobicContact CD2-CD1 3.78Å; L253-L1028 HydrophobicContact CD2-CD2 3.86Å; L253-L1028 HydrophobicContact CD2-CG 3.79Å
254Q85.5Confident81.6Confident68 Ų6851 Ų5132%0.31829%0.285SS..Hα-helixtrans-67-36.5175.3-64.9167.72200112.5Q247 Q248 S250 K251 L256Q247-Q254 HydrophobicContact CG-CG 4.08Å; Q247-Q254 WeakPolarHBondContact O-CG 3.46Å; Q247-Q254 PolarHBondContact O-NE2 3.16Å; Q248-Q254 PolarHBondContact O-NE2 3.37Å; S250-Q254 PolarHBondContact O-N 3.45Å; K251-Q254 HydrophobicContact CD-CB 4.3Å; K251-Q254 PolarHBondContact O-N 3.02Å; Q254-L256 VanDerWaalsContact C-N 3.35Å
255D84.2Confident81.7Confident109 Ų10953.5 Ų53.558%0.58330%0.295SS*.Hα-helixtrans-79.2-18.5-179.2-67.5-17.9000113K251K251-D255 WeakPolarHBondContact CE-OD1 3.36Å; K251-D255 IonicContact NZ-OD1 3.16Å; K251-D255 PolarHBondContact NZ-OD1 3.27Å; K251-D255 IonicContact NZ-OD2 3.03Å; K251-D255 PolarHBondContact O-N 2.84Å
256L82.9Confident81.8Confident43 Ų4351.5 Ų51.523%0.22529%0.286CS..Hα-helixtrans-97.5-22.7-179.1-73.9175.8000114.9F252 Q254 L1028 A1059F252-L256 HydrophobicContact CD1-CD1 4.23Å; F252-L256 HydrophobicContact CD2-CD1 3.99Å; F252-L256 HydrophobicContact CE1-CD1 3.76Å; F252-L256 HydrophobicContact CE2-CD1 3.54Å; F252-L256 HydrophobicContact CE2-CG 4.47Å; F252-L256 HydrophobicContact CG-CD1 4.34Å; F252-L256 HydrophobicContact CZ-CD1 3.4Å; F252-L256 VanDerWaalsContact CZ-CD1 3.4Å; F252-L256 VanDerWaalsContact O-CG 3.31Å; F252-L256 WeakPolarHBondContact O-CG 3.46Å; F252-L256 PolarHBondContact O-N 3.09Å; Q254-L256 VanDerWaalsContact C-N 3.35Å; L256-L1028 HydrophobicContact CD1-CD1 4.29Å; L256-A1059 HydrophobicContact CD1-CB 3.62Å; L256-A1059 HydrophobicContact CD2-CB 3.76Å; L256-A1059 HydrophobicContact CG-CB 4.35Å
257L80.3Confident82.1Confident20 Ų2049.1 Ų49.111%0.10527%0.274CS..SBendtrans-131.3143.3-171.6-64.4176.8000111.1Q247 L253 W1027 L1028 V1056Q247-L257 PolarHBondContact NE2-O 2.89Å; L253-L257 PolarHBondContact O-N 3.2Å; L257-W1027 HydrophobicContact CD1-CH2 3.54Å; L257-W1027 HydrophobicContact CD1-CZ3 3.4Å; L257-W1027 VanDerWaalsContact CD1-CZ3 3.4Å; L257-L1028 HydrophobicContact CD1-CD2 3.93Å; L257-L1028 HydrophobicContact CG-CD2 4.49Å; L257-V1056 HydrophobicContact CD2-CG2 4.4Å
258P75.3Confident82.3Confident100 Ų10049.7 Ų49.765%0.64928%0.277SS*.PPolyproline II helixtrans-62.2166.6171.629.6-35.9000111.2Q247 H260Q247-P258 PolarHBondContact NE2-O 2.59Å; P258-H260 PolarHBondContact O-N 2.98Å
259V65.2Low82.5Confident132 Ų13245.2 Ų45.280%0.826%0.257SS*.PPolyproline II helixtrans-55.5133.2177-177.70000110C261V259-C261 PolarHBondContact O-N 3.45Å
260H66.8Low82.8Confident41 Ų4143.5 Ų43.519%0.1924%0.239CC..PPolyproline II helixtrans-70.1120.9-178.4-162.6-65.7000111.6D243 P258 S262D243-H260 IonicContact OD2-NE2 2.87Å; P258-H260 PolarHBondContact O-N 2.98Å; H260-S262 PolarHBondContact O-N 2.93Å; H260-S262 VanDerWaalsContact O-N 3.14Å
261C67.9Low82.9Confident91 Ų9143.5 Ų43.562%0.61524%0.239SC*.  trans-61.7115.5169.5-49.90000109.2V259 V263 M266V259-C261 PolarHBondContact O-N 3.45Å; C261-V263 PolarHBondContact O-N 2.91Å; C261-M266 HydrophobicContact CB-CE 3.8Å
262S78.9Confident82.9Confident28 Ų2845.9 Ų45.920%0.19625%0.249CC..  trans-81.6120-174.1-170.50000111.2H260 A264 K265 M266H260-S262 PolarHBondContact O-N 2.93Å; H260-S262 VanDerWaalsContact O-N 3.14Å; S262-A264 PolarHBondContact O-N 3.34Å; S262-A264 VanDerWaalsContact O-N 3.16Å; S262-K265 WeakPolarHBondContact O-CB 3.47Å; S262-K265 PolarHBondContact O-N 3.16Å; S262-M266 PolarHBondContact O-N 2.86Å
263V86.6Confident82.9Confident8 Ų845.6 Ų45.65%0.04825%0.249CC..Hα-helixtrans-59.5-27.5174.2177.60000110.9L208 A236 V237 S240 C261 M266 I267L208-V263 HydrophobicContact CD1-CG1 4.29Å; L208-V263 HydrophobicContact CD1-CG2 4.43Å; A236-V263 HydrophobicContact CB-CG1 4.22Å; V237-V263 HydrophobicContact CG2-CG1 4.13Å; S240-V263 PolarHBondContact OG-N 3.37Å; S240-V263 VanDerWaalsContact OG-N 3.13Å; C261-V263 PolarHBondContact O-N 2.91Å; V263-M266 PolarHBondContact O-N 3.48Å; V263-I267 HydrophobicContact CG1-CD1 3.93Å; V263-I267 HydrophobicContact CG1-CG1 4.43Å; V263-I267 VanDerWaalsContact O-CG1 3.3Å; V263-I267 WeakPolarHBondContact O-CG1 3.44Å; V263-I267 PolarHBondContact O-N 2.92Å
264A86.6Confident83.1Confident8 Ų845.6 Ų45.67%0.06625%0.249CC..Hα-helixtrans-66-40.8173.500000112.8Y241 S262 I267 L268 L324Y241-A264 HydrophobicContact CE1-CB 4Å; Y241-A264 HydrophobicContact CE2-CB 4.41Å; Y241-A264 WeakPolarHBondContact OH-CB 3.42Å; S262-A264 PolarHBondContact O-N 3.34Å; S262-A264 VanDerWaalsContact O-N 3.16Å; A264-I267 PolarHBondContact O-N 3.19Å; A264-L268 WeakPolarHBondContact O-CG 3.42Å; A264-L268 PolarHBondContact O-N 3.15Å; A264-L268 VanDerWaalsContact O-N 3.13Å; A264-L324 HydrophobicContact CB-CD1 4.03Å; A264-L324 HydrophobicContact CB-CD2 3.83Å
265K87.1Confident83Confident98 Ų9845.6 Ų45.643%0.42625%0.253SS..Hα-helixtrans-58.7-53.8172.4179.7-170.8175.2-156.70109.2E151 S262 I267 L268 D269E151-K265 IonicContact OE1-NZ 3.35Å; E151-K265 IonicContact OE2-NZ 2.79Å; E151-K265 PolarHBondContact OE2-NZ 2.96Å; S262-K265 WeakPolarHBondContact O-CB 3.47Å; S262-K265 PolarHBondContact O-N 3.16Å; K265-I267 VanDerWaalsContact C-N 3.3Å; K265-I267 PolarHBondContact O-N 2.99Å; K265-L268 PolarHBondContact O-N 3.44Å; K265-D269 VanDerWaalsContact CE-OD2 3.29Å; K265-D269 WeakPolarHBondContact CE-OD2 3.25Å; K265-D269 WeakPolarHBondContact CG-OD2 3.33Å; K265-D269 PolarHBondContact O-N 3.32Å
266M89.1Confident83Confident35 Ų3542.5 Ų42.517%0.17224%0.235CC..Hα-helixtrans-55-39.8-179.8-60.6169.117600113.8L208 P210 C261 S262 V263 T270L208-M266 HydrophobicContact CB-SD 4.32Å; L208-M266 VanDerWaalsContact O-CE 3.25Å; L208-M266 WeakPolarHBondContact O-CE 3.39Å; P210-M266 HydrophobicContact CG-CB 4.49Å; C261-M266 HydrophobicContact CB-CE 3.8Å; S262-M266 PolarHBondContact O-N 2.86Å; V263-M266 PolarHBondContact O-N 3.48Å; M266-T270 WeakPolarHBondContact O-CB 3.32Å; M266-T270 PolarHBondContact O-N 3.09Å; M266-T270 PolarHBondContact O-OG1 3.2Å
267I90.8Very high82.8Confident0 Ų042.8 Ų42.80%025%0.248CC..Hα-helixtrans-69.2-41.5177.2-69.1164.8000111.2V213 V237 V263 A264 K265 T270 V271 L324 M328V213-I267 HydrophobicContact CG1-CG1 3.92Å; V213-I267 HydrophobicContact CG2-CG1 4.48Å; V237-I267 HydrophobicContact CG2-CD1 3.42Å; V237-I267 VanDerWaalsContact CG2-CD1 3.42Å; V263-I267 HydrophobicContact CG1-CD1 3.93Å; V263-I267 HydrophobicContact CG1-CG1 4.43Å; V263-I267 VanDerWaalsContact O-CG1 3.3Å; V263-I267 WeakPolarHBondContact O-CG1 3.44Å; V263-I267 PolarHBondContact O-N 2.92Å; A264-I267 PolarHBondContact O-N 3.19Å; K265-I267 VanDerWaalsContact C-N 3.3Å; K265-I267 PolarHBondContact O-N 2.99Å; I267-T270 WeakPolarHBondContact O-CB 3.45Å; I267-T270 PolarHBondContact O-N 3.08Å; I267-V271 WeakPolarHBondContact O-CG2 3.5Å; I267-V271 PolarHBondContact O-N 3.28Å; I267-V271 VanDerWaalsContact O-N 3.07Å; I267-L324 HydrophobicContact CD1-CD2 4.32Å; I267-M328 HydrophobicContact CG2-CE 3.6Å; I267-M328 HydrophobicContact CG2-CG 3.9Å; I267-M328 HydrophobicContact CG2-SD 3.49Å; I267-M328 WeakPolarHBondContact CG2-SD 3.35Å
268L89.5Confident83.1Confident29 Ų2941.9 Ų41.915%0.15224%0.243CC..Hα-helixtrans-67.5-37.2176.3-65.9170.1000111.6A264 K265 T270 V271 K272 L324 Q327 M328A264-L268 WeakPolarHBondContact O-CG 3.42Å; A264-L268 PolarHBondContact O-N 3.15Å; A264-L268 VanDerWaalsContact O-N 3.13Å; K265-L268 PolarHBondContact O-N 3.44Å; L268-T270 VanDerWaalsContact C-N 3.32Å; L268-V271 WeakPolarHBondContact O-CA 3.37Å; L268-V271 WeakPolarHBondContact O-CB 2.99Å; L268-V271 PolarHBondContact O-N 3.22Å; L268-V271 VanDerWaalsContact O-N 3.09Å; L268-K272 PolarHBondContact O-N 2.85Å; L268-L324 HydrophobicContact CD1-CD1 4.02Å; L268-L324 HydrophobicContact CD2-CD1 3.93Å; L268-L324 HydrophobicContact CG-CD1 3.78Å; L268-Q327 HydrophobicContact CD2-CB 4.1Å; L268-M328 HydrophobicContact CD2-CG 4.2Å
269D87.9Confident83.6Confident19 Ų1942.7 Ų42.710%0.10224%0.242CC..Hα-helixtrans-69.8-31.5174.6-63.5-30.9000111.7K265 V271 K272 N273K265-D269 VanDerWaalsContact CE-OD2 3.29Å; K265-D269 WeakPolarHBondContact CE-OD2 3.25Å; K265-D269 WeakPolarHBondContact CG-OD2 3.33Å; K265-D269 PolarHBondContact O-N 3.32Å; D269-V271 VanDerWaalsContact C-N 3.31Å; D269-V271 PolarHBondContact O-N 3.34Å; D269-K272 PolarHBondContact O-N 2.73Å; D269-K272 WeakPolarHBondContact OD1-CD 3.38Å; D269-K272 VanDerWaalsContact OD1-CE 3.27Å; D269-K272 WeakPolarHBondContact OD1-CE 3.07Å; D269-K272 IonicContact OD1-NZ 2.65Å; D269-K272 PolarHBondContact OD1-NZ 2.9Å; D269-N273 WeakPolarHBondContact O-CB 3.49Å; D269-N273 VanDerWaalsContact O-CG 3.22Å; D269-N273 PolarHBondContact O-N 3.12Å
270T89.4Confident84.7Confident0 Ų036.8 Ų36.80%021%0.206CC..Hα-helixtrans-60.7-38.4166.6-55.40000112P210 V213 A214 L217 M266 I267 L268 S274 W278 V281P210-T270 PolarHBondContact O-OG1 3.33Å; V213-T270 HydrophobicContact CG1-CG2 4.14Å; A214-T270 HydrophobicContact CB-CG2 3.88Å; L217-T270 HydrophobicContact CD1-CG2 4.17Å; M266-T270 WeakPolarHBondContact O-CB 3.32Å; M266-T270 PolarHBondContact O-N 3.09Å; M266-T270 PolarHBondContact O-OG1 3.2Å; I267-T270 WeakPolarHBondContact O-CB 3.45Å; I267-T270 PolarHBondContact O-N 3.08Å; L268-T270 VanDerWaalsContact C-N 3.32Å; T270-S274 WeakPolarHBondContact O-CB 3.37Å; T270-S274 PolarHBondContact O-N 2.93Å; T270-W278 HydrophobicContact CG2-CZ3 4.37Å; T270-V281 HydrophobicContact CG2-CG1 4.26Å
271V88.5Confident85.8Confident1 Ų134.9 Ų34.91%0.00620%0.197CC..Hα-helixtrans-65.1-43.5174.1178.60000110.8I267 L268 D269 S274 L285 M328 Q331I267-V271 WeakPolarHBondContact O-CG2 3.5Å; I267-V271 PolarHBondContact O-N 3.28Å; I267-V271 VanDerWaalsContact O-N 3.07Å; L268-V271 WeakPolarHBondContact O-CA 3.37Å; L268-V271 WeakPolarHBondContact O-CB 2.99Å; L268-V271 PolarHBondContact O-N 3.22Å; L268-V271 VanDerWaalsContact O-N 3.09Å; D269-V271 VanDerWaalsContact C-N 3.31Å; D269-V271 PolarHBondContact O-N 3.34Å; V271-S274 PolarHBondContact O-N 3.37Å; V271-S274 PolarHBondContact O-OG 2.67Å; V271-L285 HydrophobicContact CG2-CD1 4.05Å; V271-L285 HydrophobicContact CG2-CD2 3.75Å; V271-L285 HydrophobicContact CG2-CG 4.47Å; V271-M328 HydrophobicContact CG2-CG 4.46Å; V271-Q331 HydrophobicContact CG1-CB 3.73Å
272K86.7Confident86.8Confident112 Ų11231.1 Ų31.149%0.48717%0.171SC..Hα-helixtrans-60.9-49.2174.9-62.1173.6-168.8164.10111.8L268 D269 S274 V275L268-K272 PolarHBondContact O-N 2.85Å; D269-K272 PolarHBondContact O-N 2.73Å; D269-K272 WeakPolarHBondContact OD1-CD 3.38Å; D269-K272 VanDerWaalsContact OD1-CE 3.27Å; D269-K272 WeakPolarHBondContact OD1-CE 3.07Å; D269-K272 IonicContact OD1-NZ 2.65Å; D269-K272 PolarHBondContact OD1-NZ 2.9Å; K272-S274 PolarHBondContact O-N 3.27Å; K272-V275 VanDerWaalsContact O-CG2 3.25Å; K272-V275 WeakPolarHBondContact O-CG2 3.5Å; K272-V275 PolarHBondContact O-N 2.81Å
273N87.1Confident87.3Confident15 Ų1534 Ų348%0.0818%0.182CC..Hα-helixtrans-66.7-22.9-177.7-68.9-6.2000112.7R173 D269 V275 F276 W278R173-N273 PolarHBondContact NH1-ND2 3.43Å; D269-N273 WeakPolarHBondContact O-CB 3.49Å; D269-N273 VanDerWaalsContact O-CG 3.22Å; D269-N273 PolarHBondContact O-N 3.12Å; N273-V275 PolarHBondContact O-N 2.82Å; N273-V275 VanDerWaalsContact O-N 3.09Å; N273-F276 VanDerWaalsContact O-CD2 3.24Å; N273-F276 WeakPolarHBondContact O-CD2 3.3Å; N273-F276 PolarHBondContact O-N 3.15Å; N273-W278 HydrophobicContact CB-CE3 4.44Å; N273-W278 HydrophobicContact CB-CH2 3.66Å; N273-W278 HydrophobicContact CB-CZ2 4.36Å; N273-W278 HydrophobicContact CB-CZ3 3.69Å
274S87.9Confident87.4Confident1 Ų133.7 Ų33.71%0.00718%0.179CC..THydrogen-bonded Turntrans-64.9-14.2179.667.70000115.2T270 V271 K272 F276 W278 H336T270-S274 WeakPolarHBondContact O-CB 3.37Å; T270-S274 PolarHBondContact O-N 2.93Å; V271-S274 PolarHBondContact O-N 3.37Å; V271-S274 PolarHBondContact O-OG 2.67Å; K272-S274 PolarHBondContact O-N 3.27Å; S274-F276 PolarHBondContact O-N 3.28Å; S274-W278 PolarHBondContact O-N 3.34Å; S274-H336 PolarHBondContact O-CE1 2.95Å; S274-H336 PolarHBondContact OG-NE2 2.81Å
275V85.3Confident87.7Confident68 Ų6833.8 Ų33.841%0.41218%0.179SC..THydrogen-bonded Turntrans-59-27.6174.5177.30000112.5K272 N273 G277 M335K272-V275 VanDerWaalsContact O-CG2 3.25Å; K272-V275 WeakPolarHBondContact O-CG2 3.5Å; K272-V275 PolarHBondContact O-N 2.81Å; N273-V275 PolarHBondContact O-N 2.82Å; N273-V275 VanDerWaalsContact O-N 3.09Å; V275-G277 PolarHBondContact O-N 3.33Å; V275-M335 HydrophobicContact CG2-CB 3.96Å; V275-M335 HydrophobicContact CG2-CE 3.54Å; V275-M335 HydrophobicContact CG2-CG 4.27Å
276F84Confident87.9Confident44 Ų4429.3 Ų29.319%0.19316%0.16CC..THydrogen-bonded Turntrans-7945.1-178.3-59.2-69.3000113.2D170 R173 N273 S274D170-F276 HydrophobicContact CB-CD1 4.38Å; D170-F276 HydrophobicContact CB-CE1 4.23Å; D170-F276 WeakPolarHBondContact OD1-CE1 3.28Å; R173-F276 HydrophobicContact CB-CB 3.61Å; R173-F276 HydrophobicContact CB-CD2 3.47Å; R173-F276 VanDerWaalsContact CB-CD2 3.47Å; R173-F276 HydrophobicContact CB-CE2 4.28Å; R173-F276 HydrophobicContact CB-CG 3.62Å; R173-F276 HydrophobicContact CG-CD2 3.5Å; R173-F276 HydrophobicContact CG-CE2 3.84Å; R173-F276 HydrophobicContact CG-CG 4.13Å; N273-F276 VanDerWaalsContact O-CD2 3.24Å; N273-F276 WeakPolarHBondContact O-CD2 3.3Å; N273-F276 PolarHBondContact O-N 3.15Å; S274-F276 PolarHBondContact O-N 3.28Å
277G77.7Confident88.1Confident49 Ų4929.8 Ų29.851%0.50516%0.162SC..THydrogen-bonded Turntrans78.722.2174.500000115.7V275 D279V275-G277 PolarHBondContact O-N 3.33Å; G277-D279 PolarHBondContact O-N 2.94Å
278W86.5Confident88.2Confident1 Ų129.9 Ų29.90%0.00416%0.162CC..  trans-85.452.6-176.5-63.51.9000113.1R173 E176 A214 T270 N273 S274 H280 V281 T282R173-W278 HydrophobicContact CB-CZ2 4.3Å; R173-W278 PolarHBondContact O-NE1 2.88Å; E176-W278 HydrophobicContact CB-CZ2 3.88Å; E176-W278 VanDerWaalsContact OE2-CZ2 3.28Å; E176-W278 WeakPolarHBondContact OE2-CZ2 3.46Å; A214-W278 HydrophobicContact CB-CE3 3.97Å; A214-W278 HydrophobicContact CB-CH2 4.25Å; A214-W278 HydrophobicContact CB-CZ3 3.58Å; T270-W278 HydrophobicContact CG2-CZ3 4.37Å; N273-W278 HydrophobicContact CB-CE3 4.44Å; N273-W278 HydrophobicContact CB-CH2 3.66Å; N273-W278 HydrophobicContact CB-CZ2 4.36Å; N273-W278 HydrophobicContact CB-CZ3 3.69Å; S274-W278 PolarHBondContact O-N 3.34Å; W278-H280 PolarHBondContact O-N 3.22Å; W278-V281 HydrophobicContact CB-CB 4.1Å; W278-V281 HydrophobicContact CB-CG2 3.79Å; W278-V281 HydrophobicContact CD2-CG2 4.4Å; W278-V281 HydrophobicContact CE3-CG2 4.06Å; W278-V281 HydrophobicContact CG-CG2 4.36Å; W278-V281 WeakPolarHBondContact O-CB 3.23Å; W278-V281 PolarHBondContact O-N 3.44Å; W278-T282 PolarHBondContact O-N 3.37Å
279D86.4Confident88.4Confident116 Ų11628.5 Ų28.562%0.6216%0.155SC*.Hα-helixtrans-56.5-23.3179.4-63.3-34.9000113.2G277 V281 T282G277-D279 PolarHBondContact O-N 2.94Å; D279-V281 VanDerWaalsContact C-N 3.3Å; D279-V281 PolarHBondContact O-N 2.91Å; D279-T282 PolarHBondContact O-OG1 3.19Å; D279-T282 VanDerWaalsContact O-OG1 3.13Å
280H87.3Confident88.7Confident9 Ų927.6 Ų27.64%0.04215%0.15CC..Hα-helixtrans-75.5-12.8175.254.487.8000114.7G177 L181 S218 R221 W278G177-H280 PolarHBondContact O-NE2 3.46Å; L181-H280 HydrophobicContact CD2-CB 3.9Å; S218-H280 PolarHBondContact OG-ND1 2.76Å; R221-H280 VanDerWaalsContact CD-O 3.24Å; R221-H280 WeakPolarHBondContact CD-O 3.45Å; R221-H280 PolarHBondContact NE-O 3.02Å; R221-H280 VanDerWaalsContact NH2-CB 3.35Å; W278-H280 PolarHBondContact O-N 3.22Å
281V89.7Confident88.9Confident0 Ų030 Ų300%016%0.161CC..Hα-helixtrans-98.8-35179.4-177.10000111.3A214 L217 S218 T270 W278 D279 Q283 G284 L285A214-V281 HydrophobicContact CB-CG2 4.11Å; L217-V281 HydrophobicContact CB-CG1 4.07Å; L217-V281 HydrophobicContact CD1-CG1 3.91Å; S218-V281 VanDerWaalsContact OG-CG2 3.31Å; S218-V281 WeakPolarHBondContact OG-CG2 3.42Å; T270-V281 HydrophobicContact CG2-CG1 4.26Å; W278-V281 HydrophobicContact CB-CB 4.1Å; W278-V281 HydrophobicContact CB-CG2 3.79Å; W278-V281 HydrophobicContact CD2-CG2 4.4Å; W278-V281 HydrophobicContact CE3-CG2 4.06Å; W278-V281 HydrophobicContact CG-CG2 4.36Å; W278-V281 WeakPolarHBondContact O-CB 3.23Å; W278-V281 PolarHBondContact O-N 3.44Å; D279-V281 VanDerWaalsContact C-N 3.3Å; D279-V281 PolarHBondContact O-N 2.91Å; V281-Q283 PolarHBondContact O-N 2.86Å; V281-G284 PolarHBondContact O-N 3.28Å; V281-G284 VanDerWaalsContact O-N 3.09Å; V281-L285 HydrophobicContact CG1-CD1 3.78Å; V281-L285 HydrophobicContact CG1-CG 3.88Å; V281-L285 PolarHBondContact O-N 2.97Å
282T89.1Confident89.1Confident12 Ų1230 Ų307%0.07416%0.16CC..Hα-helixtrans-58.1-44.9-170.256.10000113.8W278 D279 G284 L285 V286W278-T282 PolarHBondContact O-N 3.37Å; D279-T282 PolarHBondContact O-OG1 3.19Å; D279-T282 VanDerWaalsContact O-OG1 3.13Å; T282-G284 PolarHBondContact O-N 2.77Å; T282-L285 WeakPolarHBondContact O-CB 3.13Å; T282-L285 PolarHBondContact O-N 3.4Å; T282-V286 WeakPolarHBondContact O-CG2 3.48Å; T282-V286 PolarHBondContact O-N 3.44Å
283Q89.3Confident89.3Confident90 Ų9024.8 Ų24.842%0.42114%0.138SC..Hα-helixtrans-57.7-47.1175.3-173-176.514.900111.7V281 L285 V286 Q287V281-Q283 PolarHBondContact O-N 2.86Å; Q283-L285 VanDerWaalsContact C-N 3.32Å; Q283-L285 PolarHBondContact O-N 3.09Å; Q283-V286 PolarHBondContact O-N 3.06Å; Q283-Q287 WeakPolarHBondContact O-CG 3.27Å; Q283-Q287 PolarHBondContact O-N 3.42Å
284G89.9Confident89.5Confident0 Ų026.9 Ų26.90%015%0.149CC..Hα-helixtrans-65-34.3178.500000112.8V281 T282 L288V281-G284 PolarHBondContact O-N 3.28Å; V281-G284 VanDerWaalsContact O-N 3.09Å; T282-G284 PolarHBondContact O-N 2.77Å; G284-L288 VanDerWaalsContact O-CB 3.29Å; G284-L288 WeakPolarHBondContact O-CB 3.38Å; G284-L288 PolarHBondContact O-N 3.18Å
285L91.8Very high89.6Confident11 Ų1128.5 Ų28.56%0.05816%0.159CC..Hα-helixtrans-63.8-45.6174-75.7169.7000112.1L217 V271 V281 T282 Q283 L288 G289 M328L217-L285 HydrophobicContact CD1-CD2 3.44Å; L217-L285 VanDerWaalsContact CD1-CD2 3.44Å; L217-L285 HydrophobicContact CD1-CG 3.92Å; V271-L285 HydrophobicContact CG2-CD1 4.05Å; V271-L285 HydrophobicContact CG2-CD2 3.75Å; V271-L285 HydrophobicContact CG2-CG 4.47Å; V281-L285 HydrophobicContact CG1-CD1 3.78Å; V281-L285 HydrophobicContact CG1-CG 3.88Å; V281-L285 PolarHBondContact O-N 2.97Å; T282-L285 WeakPolarHBondContact O-CB 3.13Å; T282-L285 PolarHBondContact O-N 3.4Å; Q283-L285 VanDerWaalsContact C-N 3.32Å; Q283-L285 PolarHBondContact O-N 3.09Å; L285-L288 PolarHBondContact O-N 2.83Å; L285-G289 PolarHBondContact O-N 3.48Å; L285-M328 HydrophobicContact CD2-CE 3.98Å
286V92.6Very high89.7Confident3 Ų326.9 Ų26.92%0.01815%0.146CC..Hα-helixtrans-62.6-49.1178174.70000110.3T282 Q283 L288 G289 F290 L329 I339 I343T282-V286 WeakPolarHBondContact O-CG2 3.48Å; T282-V286 PolarHBondContact O-N 3.44Å; Q283-V286 PolarHBondContact O-N 3.06Å; V286-L288 PolarHBondContact O-N 3.42Å; V286-G289 PolarHBondContact O-N 2.83Å; V286-F290 HydrophobicContact CG1-CD2 3.8Å; V286-F290 HydrophobicContact CG1-CE2 3.73Å; V286-F290 VanDerWaalsContact O-CD2 3.29Å; V286-F290 WeakPolarHBondContact O-CD2 3.36Å; V286-F290 PolarHBondContact O-N 3.43Å; V286-L329 HydrophobicContact CB-CD2 4.39Å; V286-L329 HydrophobicContact CG1-CD2 4.11Å; V286-I339 HydrophobicContact CG2-CB 4.25Å; V286-I339 HydrophobicContact CG2-CD1 3.82Å; V286-I339 HydrophobicContact CG2-CG1 4.5Å; V286-I343 HydrophobicContact CG1-CG1 4.01Å; V286-I343 HydrophobicContact CG2-CD1 4.01Å; V286-I343 HydrophobicContact CG2-CG1 3.85Å
287Q92.9Very high89.6Confident46 Ų4625.1 Ų25.122%0.21514%0.141CC..Hα-helixtrans-59.2-45.6177.4-69.4179.4-52.300112.4E226 F230 Q283 F290 F291E226-Q287 PolarHBondContact OE1-NE2 3.44Å; F230-Q287 HydrophobicContact CE1-CB 4.41Å; F230-Q287 HydrophobicContact CE2-CB 3.89Å; F230-Q287 HydrophobicContact CZ-CB 3.51Å; F230-Q287 HydrophobicContact CZ-CG 4.49Å; Q283-Q287 WeakPolarHBondContact O-CG 3.27Å; Q283-Q287 PolarHBondContact O-N 3.42Å; Q287-F290 PolarHBondContact O-N 3.17Å; Q287-F291 VanDerWaalsContact O-CB 3.28Å; Q287-F291 WeakPolarHBondContact O-CB 3.47Å; Q287-F291 PolarHBondContact O-N 2.96Å
288L93.5Very high89.7Confident1 Ų125.8 Ų25.81%0.00514%0.136CC..Hα-helixtrans-65.6-41.6177.4179.459.7000112.1L217 F230 L233 G284 L285 V286 F290 F291 L292 M328L217-L288 HydrophobicContact CD2-CB 4.13Å; L217-L288 HydrophobicContact CD2-CD2 3.8Å; F230-L288 HydrophobicContact CD1-CB 4.11Å; F230-L288 HydrophobicContact CD1-CD1 4.04Å; F230-L288 HydrophobicContact CE1-CB 4Å; L233-L288 HydrophobicContact CB-CD1 4.38Å; L233-L288 HydrophobicContact CB-CD2 4.18Å; L233-L288 HydrophobicContact CD1-CD2 3.73Å; G284-L288 VanDerWaalsContact O-CB 3.29Å; G284-L288 WeakPolarHBondContact O-CB 3.38Å; G284-L288 PolarHBondContact O-N 3.18Å; L285-L288 PolarHBondContact O-N 2.83Å; V286-L288 PolarHBondContact O-N 3.42Å; L288-F290 PolarHBondContact O-N 3.26Å; L288-F291 HydrophobicContact CD1-CD1 4.23Å; L288-F291 PolarHBondContact O-N 3.02Å; L288-L292 HydrophobicContact CD1-CD1 4.4Å; L288-L292 HydrophobicContact CD1-CD2 4.46Å; L288-L292 HydrophobicContact CD1-CG 4.07Å; L288-L292 HydrophobicContact CG-CD1 4.3Å; L288-L292 HydrophobicContact CG-CG 4.4Å; L288-L292 WeakPolarHBondContact O-CG 3.42Å; L288-L292 PolarHBondContact O-N 2.98Å; L288-M328 HydrophobicContact CB-CE 4.2Å; L288-M328 HydrophobicContact CD2-CE 3.97Å; L288-M328 HydrophobicContact CG-CE 4.01Å
289G93.6Very high89.2Confident0 Ų032.5 Ų32.50%017%0.166CC..Hα-helixtrans-58-47.5177.400000111.8L285 V286 M293L285-G289 PolarHBondContact O-N 3.48Å; V286-G289 PolarHBondContact O-N 2.83Å; G289-M293 WeakPolarHBondContact O-CG 3.28Å; G289-M293 PolarHBondContact O-N 3.41Å
290F94.2Very high88Confident1 Ų130.2 Ų30.20%0.00416%0.157CC..Hα-helixtrans-65.7-42.4173.1-79.3-65.4000112.8V286 Q287 L288 L292 M293 D294 L329 I343 Q346 V347 R350 Y362V286-F290 HydrophobicContact CG1-CD2 3.8Å; V286-F290 HydrophobicContact CG1-CE2 3.73Å; V286-F290 VanDerWaalsContact O-CD2 3.29Å; V286-F290 WeakPolarHBondContact O-CD2 3.36Å; V286-F290 PolarHBondContact O-N 3.43Å; Q287-F290 PolarHBondContact O-N 3.17Å; L288-F290 PolarHBondContact O-N 3.26Å; F290-L292 VanDerWaalsContact C-N 3.31Å; F290-L292 PolarHBondContact O-N 2.9Å; F290-M293 CarbonylContact O-C 3.59Å; F290-M293 PolarHBondContact O-N 2.92Å; F290-M293 VanDerWaalsContact O-N 3.15Å; F290-D294 VanDerWaalsContact O-CB 3.3Å; F290-D294 WeakPolarHBondContact O-CB 3.43Å; F290-D294 VanDerWaalsContact O-CG 3.24Å; F290-D294 PolarHBondContact O-N 3.37Å; F290-D294 VanDerWaalsContact O-OD2 3.12Å; F290-L329 HydrophobicContact CD1-CD1 3.85Å; F290-L329 HydrophobicContact CD2-CD1 4.08Å; F290-L329 HydrophobicContact CD2-CD2 3.91Å; F290-L329 HydrophobicContact CE1-CD1 3.8Å; F290-L329 HydrophobicContact CE2-CD1 4.02Å; F290-L329 HydrophobicContact CE2-CD2 3.78Å; F290-L329 HydrophobicContact CG-CD1 3.98Å; F290-L329 HydrophobicContact CZ-CD1 3.87Å; F290-L329 HydrophobicContact CZ-CD2 4.33Å; F290-I343 HydrophobicContact CZ-CG2 4.48Å; F290-Q346 HydrophobicContact CD2-CB 4.15Å; F290-Q346 HydrophobicContact CE1-CB 3.98Å; F290-Q346 HydrophobicContact CE2-CB 3.38Å; F290-Q346 HydrophobicContact CE2-CG 4.11Å; F290-Q346 HydrophobicContact CZ-CB 3.29Å; F290-Q346 HydrophobicContact CZ-CG 4.46Å; F290-V347 HydrophobicContact CE1-CG2 3.83Å; F290-V347 HydrophobicContact CZ-CG2 3.83Å; F290-R350 VanDerWaalsContact CD1-CZ 3.5Å; F290-Y362 HydrophobicContact CD1-CE1 4.17Å; F290-Y362 HydrophobicContact CE1-CE1 4.37Å
291F93.4Very high86.5Confident51 Ų5130.3 Ų30.322%0.22416%0.16CC..Hα-helixtrans-59.3-39178.3-179.4-108.8000112.8F230 K234 Q287 L288 T295F230-F291 HydrophobicContact CB-CD1 3.82Å; F230-F291 HydrophobicContact CB-CE1 3.67Å; F230-F291 HydrophobicContact CB-CG 4.35Å; F230-F291 HydrophobicContact CB-CZ 4.1Å; K234-F291 HydrophobicContact CB-CE1 3.99Å; K234-F291 HydrophobicContact CD-CE1 3.77Å; K234-F291 HydrophobicContact CD-CZ 4.16Å; K234-F291 HydrophobicContact CG-CE1 4.4Å; Q287-F291 VanDerWaalsContact O-CB 3.28Å; Q287-F291 WeakPolarHBondContact O-CB 3.47Å; Q287-F291 PolarHBondContact O-N 2.96Å; L288-F291 HydrophobicContact CD1-CD1 4.23Å; L288-F291 PolarHBondContact O-N 3.02Å; F291-T295 WeakPolarHBondContact O-CB 3.22Å; F291-T295 PolarHBondContact O-N 3.46Å; F291-T295 PolarHBondContact O-OG1 3.33Å
292L92.5Very high84.2Confident0 Ų034.9 Ų34.90%019%0.19CC..Hα-helixtrans-65.7-44.5174.4-70.1176.5000111.7L288 F290 T295 F296 L324 M328L288-L292 HydrophobicContact CD1-CD1 4.4Å; L288-L292 HydrophobicContact CD1-CD2 4.46Å; L288-L292 HydrophobicContact CD1-CG 4.07Å; L288-L292 HydrophobicContact CG-CD1 4.3Å; L288-L292 HydrophobicContact CG-CG 4.4Å; L288-L292 WeakPolarHBondContact O-CG 3.42Å; L288-L292 PolarHBondContact O-N 2.98Å; F290-L292 VanDerWaalsContact C-N 3.31Å; F290-L292 PolarHBondContact O-N 2.9Å; L292-T295 PolarHBondContact O-N 2.9Å; L292-F296 HydrophobicContact CD2-CD2 4.09Å; L292-F296 HydrophobicContact CD2-CE2 3.79Å; L292-F296 WeakPolarHBondContact O-CB 3.4Å; L292-F296 WeakPolarHBondContact O-CD2 3.34Å; L292-F296 PolarHBondContact O-N 3.22Å; L292-L324 HydrophobicContact CD1-CD2 4.43Å; L292-M328 HydrophobicContact CD1-SD 3.94Å
293M91.8Very high82.2Confident2 Ų244.4 Ų44.41%0.0123%0.231CC..Hα-helixtrans-65.8-44.2175.2-67.8-177.97700112.2G289 F290 T295 G297 L329 H361 Y362 L365G289-M293 WeakPolarHBondContact O-CG 3.28Å; G289-M293 PolarHBondContact O-N 3.41Å; F290-M293 CarbonylContact O-C 3.59Å; F290-M293 PolarHBondContact O-N 2.92Å; F290-M293 VanDerWaalsContact O-N 3.15Å; M293-T295 VanDerWaalsContact C-N 3.31Å; M293-T295 PolarHBondContact O-N 3.47Å; M293-G297 VanDerWaalsContact O-CA 3.28Å; M293-G297 WeakPolarHBondContact O-CA 3.48Å; M293-G297 PolarHBondContact O-N 2.97Å; M293-L329 HydrophobicContact SD-CD1 3.78Å; M293-H361 HydrophobicContact CE-CB 4.29Å; M293-H361 VanDerWaalsContact CE-O 3.29Å; M293-H361 WeakPolarHBondContact CE-O 3.43Å; M293-Y362 HydrophobicContact CB-CE1 3.84Å; M293-Y362 HydrophobicContact CE-CD1 3.51Å; M293-Y362 HydrophobicContact CE-CE1 3.68Å; M293-Y362 HydrophobicContact CE-CG 4.25Å; M293-Y362 HydrophobicContact SD-CD1 4.27Å; M293-Y362 HydrophobicContact SD-CE1 4.02Å; M293-L365 HydrophobicContact CE-CB 4.24Å; M293-L365 HydrophobicContact CE-CD2 4.01Å; M293-L365 HydrophobicContact SD-CD2 3.79Å
294D90.7Very high80Confident59 Ų5943.2 Ų43.232%0.31624%0.243SC..Hα-helixtrans-60.5-39177.5-74.9-44.3000111.4F290 R350 K354 Y362F290-D294 VanDerWaalsContact O-CB 3.3Å; F290-D294 WeakPolarHBondContact O-CB 3.43Å; F290-D294 VanDerWaalsContact O-CG 3.24Å; F290-D294 PolarHBondContact O-N 3.37Å; F290-D294 VanDerWaalsContact O-OD2 3.12Å; D294-R350 IonicContact OD1-CZ 2.72Å; D294-R350 IonicContact OD1-NE 2.67Å; D294-R350 PolarHBondContact OD1-NE 3.35Å; D294-R350 IonicContact OD1-NH2 3.94Å; D294-R350 IonicContact OD2-CZ 3.86Å; D294-R350 IonicContact OD2-NE 2.82Å; D294-R350 PolarHBondContact OD2-NE 3.05Å; D294-R350 IonicContact OD2-NH2 2.94Å; D294-R350 PolarHBondContact OD2-NH2 3.33Å; D294-K354 IonicContact OD1-NZ 2.61Å; D294-K354 PolarHBondContact OD1-NZ 3.03Å; D294-Y362 PolarHBondContact N-OH 2.97Å; D294-Y362 PolarHBondContact OD1-OH 3.22Å
295T89.3Confident77.6Confident35 Ų3550.8 Ų50.822%0.21528%0.276CS..Hα-helixtrans-82.8-40.7-175.6-57.20000113.5K234 F291 L292 M293 K299K234-T295 HydrophobicContact CD-CG2 3.99Å; F291-T295 WeakPolarHBondContact O-CB 3.22Å; F291-T295 PolarHBondContact O-N 3.46Å; F291-T295 PolarHBondContact O-OG1 3.33Å; L292-T295 PolarHBondContact O-N 2.9Å; M293-T295 VanDerWaalsContact C-N 3.31Å; M293-T295 PolarHBondContact O-N 3.47Å; T295-K299 VanDerWaalsContact O-CE 3.27Å; T295-K299 WeakPolarHBondContact O-CE 3.4Å; T295-K299 PolarHBondContact O-NZ 2.9Å
296F87.8Confident75.1Confident34 Ų3454.6 Ų54.615%0.14930%0.303CS..Hα-helixtrans-111.40.7-171.6-57.4-61.9000115K234 I238 L292 S318 A321 C322K234-F296 HydrophobicContact CD-CE2 4.24Å; K234-F296 HydrophobicContact CD-CZ 3.92Å; K234-F296 HydrophobicContact CG-CE2 3.78Å; K234-F296 HydrophobicContact CG-CZ 3.57Å; I238-F296 HydrophobicContact CD1-CD1 4.14Å; I238-F296 HydrophobicContact CD1-CD2 4.43Å; I238-F296 HydrophobicContact CD1-CE1 3.64Å; I238-F296 HydrophobicContact CD1-CE2 3.95Å; I238-F296 HydrophobicContact CD1-CZ 3.55Å; I238-F296 HydrophobicContact CG1-CE1 3.75Å; I238-F296 HydrophobicContact CG1-CE2 3.88Å; I238-F296 HydrophobicContact CG1-CZ 3.27Å; L292-F296 HydrophobicContact CD2-CD2 4.09Å; L292-F296 HydrophobicContact CD2-CE2 3.79Å; L292-F296 WeakPolarHBondContact O-CB 3.4Å; L292-F296 WeakPolarHBondContact O-CD2 3.34Å; L292-F296 PolarHBondContact O-N 3.22Å; F296-S318 VanDerWaalsContact CB-O 3.31Å; F296-S318 WeakPolarHBondContact CB-O 3.28Å; F296-A321 HydrophobicContact CD2-CB 3.55Å; F296-A321 HydrophobicContact CE2-CB 3.93Å; F296-A321 HydrophobicContact CG-CB 4.09Å; F296-C322 HydrophobicContact CB-CB 4.11Å
297G82.5Confident72.3Confident8 Ų858.6 Ų58.68%0.08233%0.328CS..SBendtrans-57.7160.7171.400000112.7M293 K299M293-G297 VanDerWaalsContact O-CA 3.28Å; M293-G297 WeakPolarHBondContact O-CA 3.48Å; M293-G297 PolarHBondContact O-N 2.97Å; G297-K299 PolarHBondContact O-N 3.49Å
298P79.8Confident69.7Low63 Ų6362.2 Ų62.241%0.40934%0.344SS..PPolyproline II helixtrans-62.2124.9-176.8-1629.8000110.4P358 H361P298-P358 HydrophobicContact CB-CB 4.12Å; P298-P358 HydrophobicContact CB-CG 4.44Å; P298-P358 WeakPolarHBondContact O-CD 3.43Å; P298-H361 WeakPolarHBondContact CD-ND1 3.46Å
299K76.3Confident66.8Low142 Ų14264 Ų6462%0.61736%0.363SS*.PPolyproline II helixtrans-91.5145.5-178-62.6-174.8-178.1177.90110.3T295 G297 G301T295-K299 VanDerWaalsContact O-CE 3.27Å; T295-K299 WeakPolarHBondContact O-CE 3.4Å; T295-K299 PolarHBondContact O-NZ 2.9Å; G297-K299 PolarHBondContact O-N 3.49Å; K299-G301 PolarHBondContact O-N 3.44Å
300P59.6Low63.8Low67 Ų6770 Ų7044%0.43540%0.402SS..PPolyproline II helixtrans-61.2135.9173.426.9-33.5000109.5
301G56Low61.2Low11 Ų1172.2 Ų72.211%0.11342%0.416CS..PPolyproline II helixtrans-76.5173.7176.500000112.3K299 F303 G304 K305 T307K299-G301 PolarHBondContact O-N 3.44Å; G301-F303 PolarHBondContact O-N 2.91Å; G301-G304 PolarHBondContact O-N 3.22Å; G301-G304 VanDerWaalsContact O-N 3.1Å; G301-K305 WeakPolarHBondContact CA-O 3.45Å; G301-K305 PolarHBondContact N-O 2.85Å; G301-T307 WeakPolarHBondContact CA-OG1 3.17Å
302P40.9Very low58.5Low96 Ų9674.2 Ų74.262%0.62343%0.432SS*.G310 helixtrans-53.7132.9174.4-22.433000110.8G304P302-G304 VanDerWaalsContact C-N 3.3Å; P302-G304 PolarHBondContact O-N 3.4Å
303F48.5Very low56.1Low213 Ų21376.3 Ų76.393%0.93445%0.45SS*.G310 helixtrans6030.2-177-55.7-86.7000115.4G301 K305G301-F303 PolarHBondContact O-N 2.91Å; F303-K305 PolarHBondContact O-N 3.29Å; F303-K305 VanDerWaalsContact O-N 3.11Å
304G43.1Very low54.3Low65 Ų6578.8 Ų78.867%0.6747%0.47SS*.G310 helixtrans73.43.3169.800000115.1G301 P302G301-G304 PolarHBondContact O-N 3.22Å; G301-G304 VanDerWaalsContact O-N 3.1Å; P302-G304 VanDerWaalsContact C-N 3.3Å; P302-G304 PolarHBondContact O-N 3.4Å
305K40.1Very low53.1Low159 Ų15983 Ų8369%0.69148%0.482SS*.  trans-70.9131.9165.9-69179.2179.6174.80108.4G301 F303 T307G301-K305 WeakPolarHBondContact CA-O 3.45Å; G301-K305 PolarHBondContact N-O 2.85Å; F303-K305 PolarHBondContact O-N 3.29Å; F303-K305 VanDerWaalsContact O-N 3.11Å; K305-T307 PolarHBondContact O-N 3.26Å
306S38.3Very low52.7Low91 Ų9183.8 Ų83.864%0.63649%0.487SS*.  trans-63.598.9167.248.40000108.8E308S306-E308 PolarHBondContact O-N 3.11Å
307T33.3Very low52.5Low86 Ų8682.9 Ų82.953%0.52848%0.484SS..  trans-73.472.8164.343.90000109.1G301 K305 G309G301-T307 WeakPolarHBondContact CA-OG1 3.17Å; K305-T307 PolarHBondContact O-N 3.26Å; T307-G309 PolarHBondContact O-N 3.15Å
308E38.5Very low52.7Low122 Ų12284.9 Ų84.957%0.5750%0.497SS*.  trans-61.785.3134.2-67.3-171.1-179.700105S306 R855S306-E308 PolarHBondContact O-N 3.11Å; E308-R855 IonicContact OE2-NH1 3.41Å; E308-R855 IonicContact OE2-NH2 2.6Å; E308-R855 PolarHBondContact OE2-NH2 3.38Å
309G32.8Very low53Low38 Ų3886 Ų8639%0.39250%0.497SS..  trans-59.916116700000109T307 V311T307-G309 PolarHBondContact O-N 3.15Å; G309-V311 WeakPolarHBondContact O-CG2 3.41Å; G309-V311 PolarHBondContact O-N 2.86Å
310P31.4Very low53.5Low128 Ų12881.4 Ų81.483%0.83148%0.477SS*.  trans-51109.2-178.121.8-33.5000109.4T312P310-T312 PolarHBondContact O-N 3.5Å
311V38.3Very low54.9Low47 Ų4778.2 Ų78.229%0.28546%0.457SS..  trans-72.7102.4-166.9-179.30000106.9G309 A313 Q854G309-V311 WeakPolarHBondContact O-CG2 3.41Å; G309-V311 PolarHBondContact O-N 2.86Å; V311-A313 PolarHBondContact O-N 3.14Å; V311-Q854 HydrophobicContact CB-CG 4.46Å; V311-Q854 WeakPolarHBondContact O-CG 3.43Å; V311-Q854 PolarHBondContact O-NE2 3.46Å
312T36.9Very low56.6Low92 Ų9278.2 Ų78.256%0.56446%0.455SS*.  trans-53.5132.4169.649.60000108.2P310 A314P310-T312 PolarHBondContact O-N 3.5Å; T312-A314 CarbonylContact O-C 3.43Å; T312-A314 VanDerWaalsContact O-C 3.31Å; T312-A314 PolarHBondContact O-N 3.47Å; T312-A314 PolarHBondContact OG1-O 2.93Å
313A43Very low58.9Low45 Ų4578.7 Ų78.737%0.37245%0.447SS..SBendtrans-55.5-23-170.200000114.6V311 Q853V311-A313 PolarHBondContact O-N 3.14Å; A313-Q853 HydrophobicContact CB-CG 3.75Å
314A54.2Low60.9Low54 Ų5468.5 Ų68.545%0.44640%0.403SS..SBendtrans-84.7123165.500000110.9T312 T316T312-A314 CarbonylContact O-C 3.43Å; T312-A314 VanDerWaalsContact O-C 3.31Å; T312-A314 PolarHBondContact O-N 3.47Å; T312-A314 PolarHBondContact OG1-O 2.93Å; A314-T316 PolarHBondContact O-N 3.35Å
315R65.4Low63.3Low146 Ų14665.4 Ų65.455%0.55137%0.371SS*.PPolyproline II helixtrans-54.3133170.1-63-176-172.5-150.81.3109.1Q319 Q320R315-Q319 HydrophobicContact CB-CB 4.35Å; R315-Q320 HydrophobicContact CB-CG 4.04Å
316T80.4Confident65.8Low52 Ų5258.4 Ų58.432%0.31934%0.344SS..PPolyproline II helixtrans-67.2154.7-179.864.50000111.2A314 S318 Q319 Q320A314-T316 PolarHBondContact O-N 3.35Å; T316-S318 PolarHBondContact O-N 3.37Å; T316-Q319 WeakPolarHBondContact O-CA 3.48Å; T316-Q319 WeakPolarHBondContact O-CB 3.36Å; T316-Q319 PolarHBondContact O-N 3.03Å; T316-Q319 WeakPolarHBondContact OG1-CG 3.11Å; T316-Q319 PolarHBondContact OG1-N 3.28Å; T316-Q319 PolarHBondContact OG1-OE1 2.86Å; T316-Q320 PolarHBondContact O-N 3.33Å
317P84.3Confident68.3Low15 Ų1557.3 Ų57.310%0.09733%0.328CS..Hα-helixtrans-53.3-31.1175.9-31.938.4000113.9I238 K242 Q245 A321I238-P317 HydrophobicContact CD1-CB 4.46Å; I238-P317 WeakPolarHBondContact CD1-O 3.44Å; K242-P317 HydrophobicContact CG-CB 4.15Å; K242-P317 HydrophobicContact CG-CG 3.88Å; Q245-P317 VanDerWaalsContact OE1-CD 3.28Å; Q245-P317 VanDerWaalsContact OE1-CG 3.27Å; P317-A321 WeakPolarHBondContact O-CB 3.48Å; P317-A321 PolarHBondContact O-N 2.93Å
318S85.5Confident71.1Confident50 Ų5053.4 Ų53.435%0.3530%0.304SS..Hα-helixtrans-70.6-43.8172.8-59.30000112.6F296 T316 Q320 A321 C322F296-S318 VanDerWaalsContact CB-O 3.31Å; F296-S318 WeakPolarHBondContact CB-O 3.28Å; T316-S318 PolarHBondContact O-N 3.37Å; S318-Q320 VanDerWaalsContact C-N 3.3Å; S318-Q320 PolarHBondContact O-N 3.01Å; S318-A321 PolarHBondContact O-N 3.38Å; S318-C322 WeakPolarHBondContact O-CB 3.44Å; S318-C322 PolarHBondContact O-N 3.13Å
319Q85.8Confident73.7Confident86 Ų8647.7 Ų47.740%0.40228%0.278SS..Hα-helixtrans-63.3-37.2173.8-72.8166.1-28.900111.9R315 T316 K323R315-Q319 HydrophobicContact CB-CB 4.35Å; T316-Q319 WeakPolarHBondContact O-CA 3.48Å; T316-Q319 WeakPolarHBondContact O-CB 3.36Å; T316-Q319 PolarHBondContact O-N 3.03Å; T316-Q319 WeakPolarHBondContact OG1-CG 3.11Å; T316-Q319 PolarHBondContact OG1-N 3.28Å; T316-Q319 PolarHBondContact OG1-OE1 2.86Å; Q319-K323 PolarHBondContact O-N 3.5Å
320Q86.7Confident76.5Confident46 Ų4647.1 Ų47.122%0.21527%0.266CS..Hα-helixtrans-64.8-46.1173.4-68.5173.1-52.200111.4Y241 R315 T316 S318 C322 K323 L324Y241-Q320 HydrophobicContact CD1-CB 4.04Å; Y241-Q320 HydrophobicContact CD2-CB 3.87Å; Y241-Q320 HydrophobicContact CE1-CB 3.93Å; Y241-Q320 HydrophobicContact CE2-CB 3.75Å; Y241-Q320 HydrophobicContact CG-CB 4.01Å; R315-Q320 HydrophobicContact CB-CG 4.04Å; T316-Q320 PolarHBondContact O-N 3.33Å; S318-Q320 VanDerWaalsContact C-N 3.3Å; S318-Q320 PolarHBondContact O-N 3.01Å; Q320-C322 PolarHBondContact O-N 2.8Å; Q320-K323 WeakPolarHBondContact O-CB 3.32Å; Q320-K323 PolarHBondContact O-N 3.36Å; Q320-K323 VanDerWaalsContact O-N 3.15Å; Q320-L324 PolarHBondContact O-N 2.65Å
321A89.9Confident79.2Confident0 Ų043.9 Ų43.90%024%0.239CC..Hα-helixtrans-62.9-37175.400000113.4V237 I238 Y241 F296 P317 S318 L324 G325V237-A321 HydrophobicContact CG1-CB 3.88Å; I238-A321 HydrophobicContact CD1-CB 3.7Å; Y241-A321 HydrophobicContact CD2-CB 4.44Å; Y241-A321 HydrophobicContact CE2-CB 4.33Å; F296-A321 HydrophobicContact CD2-CB 3.55Å; F296-A321 HydrophobicContact CE2-CB 3.93Å; F296-A321 HydrophobicContact CG-CB 4.09Å; P317-A321 WeakPolarHBondContact O-CB 3.48Å; P317-A321 PolarHBondContact O-N 2.93Å; S318-A321 PolarHBondContact O-N 3.38Å; A321-L324 PolarHBondContact O-N 2.66Å; A321-G325 PolarHBondContact O-N 3.28Å
322C91.4Very high81.6Confident12 Ų1241.9 Ų41.98%0.08123%0.229CC..Hα-helixtrans-65.6-40.8172.1-173.80000111.8F296 S318 Q320 L324 G325 G326F296-C322 HydrophobicContact CB-CB 4.11Å; S318-C322 WeakPolarHBondContact O-CB 3.44Å; S318-C322 PolarHBondContact O-N 3.13Å; Q320-C322 PolarHBondContact O-N 2.8Å; C322-L324 VanDerWaalsContact C-N 3.35Å; C322-G325 PolarHBondContact O-N 3.23Å; C322-G326 PolarHBondContact O-N 2.91Å
323K88.7Confident84Confident105 Ų10537.6 Ų37.646%0.45720%0.202SC..Hα-helixtrans-62.4-42.9174.4-166.2-162.1-177.2-173.20110.9Q319 Q320 G325 G326 Q327Q319-K323 PolarHBondContact O-N 3.5Å; Q320-K323 WeakPolarHBondContact O-CB 3.32Å; Q320-K323 PolarHBondContact O-N 3.36Å; Q320-K323 VanDerWaalsContact O-N 3.15Å; K323-G325 PolarHBondContact O-N 3.32Å; K323-G326 PolarHBondContact O-N 3.09Å; K323-Q327 HydrophobicContact CG-CG 4.42Å; K323-Q327 WeakPolarHBondContact O-CG 3.32Å; K323-Q327 PolarHBondContact O-N 3.15Å
324L91.9Very high86.1Confident0 Ų040.6 Ų40.60%021%0.207CC..Hα-helixtrans-58.1-47.6176.4-179.862.2000111.2V237 Y241 A264 I267 L268 L292 Q320 A321 C322 G326 Q327 M328V237-L324 HydrophobicContact CG1-CD2 3.83Å; V237-L324 HydrophobicContact CG2-CD2 4.04Å; Y241-L324 HydrophobicContact CE2-CD2 4.38Å; A264-L324 HydrophobicContact CB-CD1 4.03Å; A264-L324 HydrophobicContact CB-CD2 3.83Å; I267-L324 HydrophobicContact CD1-CD2 4.32Å; L268-L324 HydrophobicContact CD1-CD1 4.02Å; L268-L324 HydrophobicContact CD2-CD1 3.93Å; L268-L324 HydrophobicContact CG-CD1 3.78Å; L292-L324 HydrophobicContact CD1-CD2 4.43Å; Q320-L324 PolarHBondContact O-N 2.65Å; A321-L324 PolarHBondContact O-N 2.66Å; C322-L324 VanDerWaalsContact C-N 3.35Å; L324-G326 VanDerWaalsContact C-N 3.32Å; L324-G326 PolarHBondContact O-N 3.35Å; L324-Q327 PolarHBondContact O-N 3.29Å; L324-Q327 VanDerWaalsContact O-N 3.12Å; L324-M328 HydrophobicContact CD1-CG 4.32Å; L324-M328 HydrophobicContact CG-CG 4.41Å; L324-M328 HydrophobicContact CG-SD 4.13Å; L324-M328 VanDerWaalsContact O-CG 3.26Å; L324-M328 WeakPolarHBondContact O-CG 3.37Å; L324-M328 PolarHBondContact O-N 3.22Å
325G92.9Very high87.5Confident0 Ų043 Ų430%021%0.21CC..Hα-helixtrans-56.5-43.4175.500000113.1A321 C322 K323 L329A321-G325 PolarHBondContact O-N 3.28Å; C322-G325 PolarHBondContact O-N 3.23Å; K323-G325 PolarHBondContact O-N 3.32Å; G325-L329 WeakPolarHBondContact O-CG 3.26Å; G325-L329 PolarHBondContact O-N 2.89Å; G325-L329 VanDerWaalsContact O-N 3.13Å
326G91.6Very high88.5Confident12 Ų1236.9 Ų36.912%0.12419%0.188CC..Hα-helixtrans-64.6-42.3173.300000113.5C322 K323 L324 L329 L330 L365C322-G326 PolarHBondContact O-N 2.91Å; K323-G326 PolarHBondContact O-N 3.09Å; L324-G326 VanDerWaalsContact C-N 3.32Å; L324-G326 PolarHBondContact O-N 3.35Å; G326-L329 PolarHBondContact O-N 3.2Å; G326-L330 WeakPolarHBondContact O-CB 3.21Å; G326-L330 PolarHBondContact O-N 3.35Å; G326-L365 WeakPolarHBondContact O-CD1 3.31Å
327Q91.1Very high88.7Confident67 Ų6741.1 Ų41.131%0.31320%0.204SC..Hα-helixtrans-65-39.9177.5-74178.1-51.300112.3L268 K323 L324 L330 Q331L268-Q327 HydrophobicContact CD2-CB 4.1Å; K323-Q327 HydrophobicContact CG-CG 4.42Å; K323-Q327 WeakPolarHBondContact O-CG 3.32Å; K323-Q327 PolarHBondContact O-N 3.15Å; L324-Q327 PolarHBondContact O-N 3.29Å; L324-Q327 VanDerWaalsContact O-N 3.12Å; Q327-L330 PolarHBondContact O-N 2.73Å; Q327-Q331 WeakPolarHBondContact O-CB 3.37Å; Q327-Q331 WeakPolarHBondContact O-CG 3.26Å; Q327-Q331 PolarHBondContact O-N 3.35Å
328M92.6Very high88.8Confident5 Ų545.5 Ų45.53%0.02523%0.232CC..Hα-helixtrans-60-47.6173.5-70.1167.96500111.5I267 L268 V271 L285 L288 L292 L324 G332I267-M328 HydrophobicContact CG2-CE 3.6Å; I267-M328 HydrophobicContact CG2-CG 3.9Å; I267-M328 HydrophobicContact CG2-SD 3.49Å; I267-M328 WeakPolarHBondContact CG2-SD 3.35Å; L268-M328 HydrophobicContact CD2-CG 4.2Å; V271-M328 HydrophobicContact CG2-CG 4.46Å; L285-M328 HydrophobicContact CD2-CE 3.98Å; L288-M328 HydrophobicContact CB-CE 4.2Å; L288-M328 HydrophobicContact CD2-CE 3.97Å; L288-M328 HydrophobicContact CG-CE 4.01Å; L292-M328 HydrophobicContact CD1-SD 3.94Å; L324-M328 HydrophobicContact CD1-CG 4.32Å; L324-M328 HydrophobicContact CG-CG 4.41Å; L324-M328 HydrophobicContact CG-SD 4.13Å; L324-M328 VanDerWaalsContact O-CG 3.26Å; L324-M328 WeakPolarHBondContact O-CG 3.37Å; L324-M328 PolarHBondContact O-N 3.22Å; M328-G332 PolarHBondContact O-N 3.37Å
329L93.9Very high88.9Confident2 Ų243.8 Ų43.81%0.0122%0.219CC..Hα-helixtrans-65.8-41178.6-69.6172.7000111.9V286 F290 M293 G325 G326 G332 F333 I343 L365V286-L329 HydrophobicContact CB-CD2 4.39Å; V286-L329 HydrophobicContact CG1-CD2 4.11Å; F290-L329 HydrophobicContact CD1-CD1 3.85Å; F290-L329 HydrophobicContact CD2-CD1 4.08Å; F290-L329 HydrophobicContact CD2-CD2 3.91Å; F290-L329 HydrophobicContact CE1-CD1 3.8Å; F290-L329 HydrophobicContact CE2-CD1 4.02Å; F290-L329 HydrophobicContact CE2-CD2 3.78Å; F290-L329 HydrophobicContact CG-CD1 3.98Å; F290-L329 HydrophobicContact CZ-CD1 3.87Å; F290-L329 HydrophobicContact CZ-CD2 4.33Å; M293-L329 HydrophobicContact SD-CD1 3.78Å; G325-L329 WeakPolarHBondContact O-CG 3.26Å; G325-L329 PolarHBondContact O-N 2.89Å; G325-L329 VanDerWaalsContact O-N 3.13Å; G326-L329 PolarHBondContact O-N 3.2Å; L329-G332 PolarHBondContact O-N 3.23Å; L329-F333 VanDerWaalsContact O-CB 3.26Å; L329-F333 WeakPolarHBondContact O-CB 2.95Å; L329-F333 PolarHBondContact O-N 3.24Å; L329-I343 HydrophobicContact CB-CG2 4.45Å; L329-I343 HydrophobicContact CD2-CG1 4.27Å; L329-I343 HydrophobicContact CD2-CG2 4.47Å; L329-L365 HydrophobicContact CB-CD1 4.26Å; L329-L365 HydrophobicContact CB-CD2 3.94Å; L329-L365 HydrophobicContact CD1-CD2 3.66Å; L329-L365 HydrophobicContact CG-CD2 4.46Å
330L90.6Very high88.9Confident26 Ų2641.9 Ų41.914%0.13621%0.208CC..Hα-helixtrans-66.2-42.4177.5-178.163.8000112.3G326 Q327 K334 L365 D368 I369G326-L330 WeakPolarHBondContact O-CB 3.21Å; G326-L330 PolarHBondContact O-N 3.35Å; Q327-L330 PolarHBondContact O-N 2.73Å; L330-K334 WeakPolarHBondContact O-CG 3.35Å; L330-K334 PolarHBondContact O-N 3.39Å; L330-K334 VanDerWaalsContact O-N 3.12Å; L330-L365 HydrophobicContact CB-CD1 3.97Å; L330-D368 HydrophobicContact CD1-CB 4.13Å; L330-D368 HydrophobicContact CD2-CB 3.94Å; L330-I369 HydrophobicContact CD1-CG1 3.94Å
331Q88.2Confident88.9Confident59 Ų5941.5 Ų41.528%0.27622%0.216SC..Hα-helixtrans-68.3-44.8174.9-74.4-177.3-10.600111.1V271 Q327 F333 K334 M335V271-Q331 HydrophobicContact CG1-CB 3.73Å; Q327-Q331 WeakPolarHBondContact O-CB 3.37Å; Q327-Q331 WeakPolarHBondContact O-CG 3.26Å; Q327-Q331 PolarHBondContact O-N 3.35Å; Q331-F333 VanDerWaalsContact C-N 3.32Å; Q331-F333 PolarHBondContact O-N 2.83Å; Q331-K334 PolarHBondContact O-N 3.44Å; Q331-K334 VanDerWaalsContact O-N 3.13Å; Q331-M335 WeakPolarHBondContact O-CG 3.5Å; Q331-M335 PolarHBondContact O-N 3.19Å
332G87.9Confident88.9Confident6 Ų645 Ų456%0.06223%0.232CC..Hα-helixtrans-55.1-47174.500000112.2M328 L329 K334 M335 H336M328-G332 PolarHBondContact O-N 3.37Å; L329-G332 PolarHBondContact O-N 3.23Å; G332-K334 PolarHBondContact O-N 2.95Å; G332-M335 PolarHBondContact O-N 3.03Å; G332-H336 WeakPolarHBondContact O-CB 3.41Å; G332-H336 PolarHBondContact O-N 3.44Å
333F88.6Confident88.9Confident2 Ų244.4 Ų44.41%0.00923%0.228CC..Hα-helixtrans-60.2-41175.9-176.3-83.4000112.9L329 Q331 R340 I343 I369 A373 I376L329-F333 VanDerWaalsContact O-CB 3.26Å; L329-F333 WeakPolarHBondContact O-CB 2.95Å; L329-F333 PolarHBondContact O-N 3.24Å; Q331-F333 VanDerWaalsContact C-N 3.32Å; Q331-F333 PolarHBondContact O-N 2.83Å; F333-R340 HydrophobicContact CD2-CB 3.86Å; F333-R340 HydrophobicContact CD2-CG 3.91Å; F333-R340 HydrophobicContact CE2-CB 3.57Å; F333-R340 HydrophobicContact CE2-CG 3.92Å; F333-R340 HydrophobicContact CG-CG 4.22Å; F333-R340 HydrophobicContact CZ-CB 4.14Å; F333-R340 HydrophobicContact CZ-CG 4.23Å; F333-R340 WeakPolarHBondContact O-CD 3.32Å; F333-R340 WeakPolarHBondContact O-CG 3.47Å; F333-R340 PolarHBondContact O-NE 3.2Å; F333-I343 HydrophobicContact CB-CD1 4.03Å; F333-I343 HydrophobicContact CD2-CB 4.37Å; F333-I343 HydrophobicContact CD2-CG2 4.34Å; F333-I369 HydrophobicContact CD1-CG1 4.5Å; F333-I369 HydrophobicContact CD1-CG2 4.11Å; F333-I369 HydrophobicContact CD2-CD1 4.5Å; F333-I369 HydrophobicContact CD2-CG2 4.24Å; F333-I369 HydrophobicContact CE1-CG2 3.74Å; F333-I369 HydrophobicContact CE2-CG2 3.86Å; F333-I369 HydrophobicContact CG-CG1 4.35Å; F333-I369 HydrophobicContact CG-CG2 4.36Å; F333-I369 HydrophobicContact CZ-CG2 3.61Å; F333-A373 HydrophobicContact CE1-CB 4.24Å; F333-I376 HydrophobicContact CE1-CD1 4.44Å; F333-I376 HydrophobicContact CZ-CB 4.43Å; F333-I376 HydrophobicContact CZ-CG2 4.1Å
334K86.3Confident88.9Confident108 Ų10839.6 Ų39.647%0.4721%0.208SC..Hα-helixtrans-63.8-51.6176.9-74.8171.5177.7-174.90111.2L330 Q331 G332 R340L330-K334 WeakPolarHBondContact O-CG 3.35Å; L330-K334 PolarHBondContact O-N 3.39Å; L330-K334 VanDerWaalsContact O-N 3.12Å; Q331-K334 PolarHBondContact O-N 3.44Å; Q331-K334 VanDerWaalsContact O-N 3.13Å; G332-K334 PolarHBondContact O-N 2.95Å; K334-R340 PolarHBondContact O-NH2 2.88Å
335M84.6Confident88.8Confident103 Ų10343.7 Ų43.751%0.50723%0.227SC..Hα-helixtrans-77.8-36.4-170.2-56.1-49.5-75.700113.9V275 Q331 G332V275-M335 HydrophobicContact CG2-CB 3.96Å; V275-M335 HydrophobicContact CG2-CE 3.54Å; V275-M335 HydrophobicContact CG2-CG 4.27Å; Q331-M335 WeakPolarHBondContact O-CG 3.5Å; Q331-M335 PolarHBondContact O-N 3.19Å; G332-M335 PolarHBondContact O-N 3.03Å
336H85.6Confident88.7Confident19 Ų1945.8 Ų45.89%0.08824%0.237CC..  trans-115.1109.6-168.5-65.9-75.8000112.5S274 G332 I339 R340S274-H336 PolarHBondContact O-CE1 2.95Å; S274-H336 PolarHBondContact OG-NE2 2.81Å; G332-H336 WeakPolarHBondContact O-CB 3.41Å; G332-H336 PolarHBondContact O-N 3.44Å; H336-I339 HydrophobicContact CB-CD1 3.6Å; H336-I339 HydrophobicContact CB-CG1 3.61Å; H336-I339 WeakPolarHBondContact O-CG1 3.34Å; H336-R340 VanDerWaalsContact O-CG 3.28Å; H336-R340 WeakPolarHBondContact O-CG 3.17Å
337E84.9Confident88.7Confident141 Ų14145.2 Ų45.266%0.65923%0.231SC*.SBendtrans-58.2-48.7175.7-171.2168.4155.700115.7I339 R340E337-I339 VanDerWaalsContact C-N 3.27Å; E337-I339 PolarHBondContact O-N 2.84Å; E337-R340 WeakPolarHBondContact O-CB 3.46Å; E337-R340 WeakPolarHBondContact O-CG 3.27Å; E337-R340 PolarHBondContact O-N 3Å; E337-R340 VanDerWaalsContact O-N 3.15Å; E337-R340 IonicContact OE2-NH1 3.23Å
338P85.3Confident88.6Confident107 Ų10742.2 Ų42.270%0.69522%0.217SC*.THydrogen-bonded Turntrans-66.6-24.9-170.624.7-34.5000114.2
339I87.4Confident88.5Confident13 Ų1345.9 Ų45.97%0.06724%0.236CC..THydrogen-bonded Turntrans-90.1-6.7179.666.1179.8000113.6V286 H336 E337 G341 E342 I343V286-I339 HydrophobicContact CG2-CB 4.25Å; V286-I339 HydrophobicContact CG2-CD1 3.82Å; V286-I339 HydrophobicContact CG2-CG1 4.5Å; H336-I339 HydrophobicContact CB-CD1 3.6Å; H336-I339 HydrophobicContact CB-CG1 3.61Å; H336-I339 WeakPolarHBondContact O-CG1 3.34Å; E337-I339 VanDerWaalsContact C-N 3.27Å; E337-I339 PolarHBondContact O-N 2.84Å; I339-G341 VanDerWaalsContact C-N 3.33Å; I339-G341 PolarHBondContact O-N 2.87Å; I339-E342 PolarHBondContact O-N 3.43Å; I339-I343 HydrophobicContact CB-CD1 4.38Å; I339-I343 HydrophobicContact CD1-CD1 3.93Å; I339-I343 HydrophobicContact CG1-CD1 3.87Å; I339-I343 WeakPolarHBondContact O-CG1 3.47Å; I339-I343 PolarHBondContact O-N 3.4Å
340R87.8Confident88.3Confident47 Ų4747.8 Ų47.818%0.17724%0.244CC..Hα-helixtrans-59.3-43.7-176.9-65.9-172.3-175.3134.3-1.5112.3F333 K334 H336 E337 L344 I376F333-R340 HydrophobicContact CD2-CB 3.86Å; F333-R340 HydrophobicContact CD2-CG 3.91Å; F333-R340 HydrophobicContact CE2-CB 3.57Å; F333-R340 HydrophobicContact CE2-CG 3.92Å; F333-R340 HydrophobicContact CG-CG 4.22Å; F333-R340 HydrophobicContact CZ-CB 4.14Å; F333-R340 HydrophobicContact CZ-CG 4.23Å; F333-R340 WeakPolarHBondContact O-CD 3.32Å; F333-R340 WeakPolarHBondContact O-CG 3.47Å; F333-R340 PolarHBondContact O-NE 3.2Å; K334-R340 PolarHBondContact O-NH2 2.88Å; H336-R340 VanDerWaalsContact O-CG 3.28Å; H336-R340 WeakPolarHBondContact O-CG 3.17Å; E337-R340 WeakPolarHBondContact O-CB 3.46Å; E337-R340 WeakPolarHBondContact O-CG 3.27Å; E337-R340 PolarHBondContact O-N 3Å; E337-R340 VanDerWaalsContact O-N 3.15Å; E337-R340 IonicContact OE2-NH1 3.23Å; R340-L344 WeakPolarHBondContact O-CB 3.37Å; R340-L344 PolarHBondContact O-N 3.2Å; R340-L344 VanDerWaalsContact O-N 3.08Å; R340-I376 HydrophobicContact CB-CG2 4.5Å
341G86.6Confident88.1Confident37 Ų3746.7 Ų46.738%0.38124%0.238SC..Hα-helixtrans-63.3-43.6177.300000112.6I339 L344 E345I339-G341 VanDerWaalsContact C-N 3.33Å; I339-G341 PolarHBondContact O-N 2.87Å; G341-L344 PolarHBondContact O-N 2.98Å; G341-E345 WeakPolarHBondContact O-CB 3.17Å; G341-E345 PolarHBondContact O-N 3.39Å
342E89Confident88.1Confident73 Ų7345.3 Ų45.334%0.34123%0.233SC..Hα-helixtrans-65.3-47.3178.9-170.5-169.9159.500111.8I339 L344 E345 Q346I339-E342 PolarHBondContact O-N 3.43Å; E342-L344 VanDerWaalsContact C-N 3.32Å; E342-L344 PolarHBondContact O-N 3.34Å; E342-E345 PolarHBondContact O-N 2.88Å; E342-Q346 HydrophobicContact CG-CG 4.39Å; E342-Q346 VanDerWaalsContact O-CB 3.28Å; E342-Q346 WeakPolarHBondContact O-CB 3.45Å; E342-Q346 WeakPolarHBondContact O-CG 3.25Å; E342-Q346 PolarHBondContact O-N 3.01Å; E342-Q346 PolarHBondContact OE1-NE2 3.41Å
343I91.3Very high88Confident0 Ų049.9 Ų49.90%026%0.26CS..Hα-helixtrans-58.6-47177.8-66.8168.9000110.1V286 F290 L329 F333 I339 Q346 V347 I369V286-I343 HydrophobicContact CG1-CG1 4.01Å; V286-I343 HydrophobicContact CG2-CD1 4.01Å; V286-I343 HydrophobicContact CG2-CG1 3.85Å; F290-I343 HydrophobicContact CZ-CG2 4.48Å; L329-I343 HydrophobicContact CB-CG2 4.45Å; L329-I343 HydrophobicContact CD2-CG1 4.27Å; L329-I343 HydrophobicContact CD2-CG2 4.47Å; F333-I343 HydrophobicContact CB-CD1 4.03Å; F333-I343 HydrophobicContact CD2-CB 4.37Å; F333-I343 HydrophobicContact CD2-CG2 4.34Å; I339-I343 HydrophobicContact CB-CD1 4.38Å; I339-I343 HydrophobicContact CD1-CD1 3.93Å; I339-I343 HydrophobicContact CG1-CD1 3.87Å; I339-I343 WeakPolarHBondContact O-CG1 3.47Å; I339-I343 PolarHBondContact O-N 3.4Å; I343-Q346 PolarHBondContact O-N 3.4Å; I343-V347 WeakPolarHBondContact O-CG2 3.38Å; I343-V347 PolarHBondContact O-N 3.19Å; I343-I369 HydrophobicContact CG2-CD1 4.13Å
344L89.1Confident87.5Confident4 Ų452.5 Ų52.52%0.02127%0.271CS..Hα-helixtrans-61.8-48.8179.8177.861.9000111.9R340 G341 E342 Q346 V347 L348 F366 L377 S380R340-L344 WeakPolarHBondContact O-CB 3.37Å; R340-L344 PolarHBondContact O-N 3.2Å; R340-L344 VanDerWaalsContact O-N 3.08Å; G341-L344 PolarHBondContact O-N 2.98Å; E342-L344 VanDerWaalsContact C-N 3.32Å; E342-L344 PolarHBondContact O-N 3.34Å; L344-Q346 PolarHBondContact O-N 3.39Å; L344-V347 PolarHBondContact O-N 3.08Å; L344-L348 HydrophobicContact CD1-CD1 3.94Å; L344-L348 HydrophobicContact CD1-CG 4.09Å; L344-L348 HydrophobicContact CG-CD1 3.97Å; L344-L348 HydrophobicContact CG-CG 4.47Å; L344-L348 WeakPolarHBondContact O-CG 3.43Å; L344-L348 PolarHBondContact O-N 2.89Å; L344-F366 HydrophobicContact CD1-CD2 4.07Å; L344-F366 HydrophobicContact CD1-CE2 3.75Å; L344-L377 HydrophobicContact CD1-CD2 3.68Å; L344-L377 HydrophobicContact CD2-CD2 3.8Å; L344-L377 HydrophobicContact CG-CD2 4.42Å; L344-S380 WeakPolarHBondContact CD2-OG 3.38Å
345E88.8Confident86.7Confident87 Ų8750.8 Ų50.841%0.40727%0.27SS..Hα-helixtrans-60.3-44.8178.2-176.8174.1151.900111.4G341 E342 V347 L348 N349G341-E345 WeakPolarHBondContact O-CB 3.17Å; G341-E345 PolarHBondContact O-N 3.39Å; E342-E345 PolarHBondContact O-N 2.88Å; E345-V347 VanDerWaalsContact C-N 3.33Å; E345-V347 PolarHBondContact O-N 3.32Å; E345-L348 PolarHBondContact O-N 3.13Å; E345-N349 WeakPolarHBondContact CG-ND2 3.37Å; E345-N349 VanDerWaalsContact O-CB 3.24Å; E345-N349 WeakPolarHBondContact O-CB 3.23Å; E345-N349 VanDerWaalsContact O-CG 3.23Å; E345-N349 PolarHBondContact O-N 2.93Å; E345-N349 PolarHBondContact O-ND2 2.9Å
346Q91.3Very high86.1Confident44 Ų4450.1 Ų50.121%0.20628%0.281CS..Hα-helixtrans-67-27.9177.4-78.2-151.853.500114.1F290 E342 I343 L344 R350F290-Q346 HydrophobicContact CD2-CB 4.15Å; F290-Q346 HydrophobicContact CE1-CB 3.98Å; F290-Q346 HydrophobicContact CE2-CB 3.38Å; F290-Q346 HydrophobicContact CE2-CG 4.11Å; F290-Q346 HydrophobicContact CZ-CB 3.29Å; F290-Q346 HydrophobicContact CZ-CG 4.46Å; E342-Q346 HydrophobicContact CG-CG 4.39Å; E342-Q346 VanDerWaalsContact O-CB 3.28Å; E342-Q346 WeakPolarHBondContact O-CB 3.45Å; E342-Q346 WeakPolarHBondContact O-CG 3.25Å; E342-Q346 PolarHBondContact O-N 3.01Å; E342-Q346 PolarHBondContact OE1-NE2 3.41Å; I343-Q346 PolarHBondContact O-N 3.4Å; L344-Q346 PolarHBondContact O-N 3.39Å; Q346-R350 VanDerWaalsContact O-CG 3.31Å; Q346-R350 WeakPolarHBondContact O-CG 3.45Å; Q346-R350 PolarHBondContact O-NH1 2.83Å; Q346-R350 VanDerWaalsContact O-NH1 3.13Å
347V91.7Very high85.7Confident0 Ų051.1 Ų51.10%029%0.29CS..Hα-helixtrans-72-54169.91690000110.2F290 I343 L344 E345 N349 R350 L351 L365 F366F290-V347 HydrophobicContact CE1-CG2 3.83Å; F290-V347 HydrophobicContact CZ-CG2 3.83Å; I343-V347 WeakPolarHBondContact O-CG2 3.38Å; I343-V347 PolarHBondContact O-N 3.19Å; L344-V347 PolarHBondContact O-N 3.08Å; E345-V347 VanDerWaalsContact C-N 3.33Å; E345-V347 PolarHBondContact O-N 3.32Å; V347-N349 PolarHBondContact O-N 3.19Å; V347-R350 PolarHBondContact O-N 3.34Å; V347-R350 VanDerWaalsContact O-N 3.1Å; V347-L351 HydrophobicContact CG1-CD1 4.41Å; V347-L351 WeakPolarHBondContact O-CG 3.28Å; V347-L351 PolarHBondContact O-N 3.31Å; V347-L365 HydrophobicContact CG2-CD2 3.88Å; V347-L365 HydrophobicContact CG2-CG 4.44Å; V347-F366 HydrophobicContact CG1-CB 3.97Å; V347-F366 HydrophobicContact CG1-CD2 4.36Å
348L89.4Confident85.5Confident3 Ų346.2 Ų46.22%0.01627%0.27CS..Hα-helixtrans-59.7-44.5-177.5-66.7174.3000111.8L344 E345 R350 L351 V352 F366 K383 V384 T387 F402L344-L348 HydrophobicContact CD1-CD1 3.94Å; L344-L348 HydrophobicContact CD1-CG 4.09Å; L344-L348 HydrophobicContact CG-CD1 3.97Å; L344-L348 HydrophobicContact CG-CG 4.47Å; L344-L348 WeakPolarHBondContact O-CG 3.43Å; L344-L348 PolarHBondContact O-N 2.89Å; E345-L348 PolarHBondContact O-N 3.13Å; L348-R350 VanDerWaalsContact C-N 3.28Å; L348-R350 PolarHBondContact O-N 3.21Å; L348-L351 HydrophobicContact CD2-CD1 4.35Å; L348-L351 WeakPolarHBondContact O-CB 2.92Å; L348-L351 PolarHBondContact O-N 2.82Å; L348-V352 PolarHBondContact O-N 3.36Å; L348-F366 HydrophobicContact CD2-CD2 4.3Å; L348-F366 HydrophobicContact CD2-CE2 3.92Å; L348-F366 HydrophobicContact CD2-CZ 4.36Å; L348-K383 HydrophobicContact CD1-CB 3.88Å; L348-V384 HydrophobicContact CD1-CG2 4.39Å; L348-T387 HydrophobicContact CD2-CG2 4.3Å; L348-F402 HydrophobicContact CD2-CE2 3.65Å; L348-F402 HydrophobicContact CD2-CZ 4.18Å
349N90.7Very high85.5Confident82 Ų8241.3 Ų41.344%0.43924%0.239SC..Hα-helixtrans-59.2-37.4176.1-75.9-20.8000112.3E345 V347 V352 T353E345-N349 WeakPolarHBondContact CG-ND2 3.37Å; E345-N349 VanDerWaalsContact O-CB 3.24Å; E345-N349 WeakPolarHBondContact O-CB 3.23Å; E345-N349 VanDerWaalsContact O-CG 3.23Å; E345-N349 PolarHBondContact O-N 2.93Å; E345-N349 PolarHBondContact O-ND2 2.9Å; V347-N349 PolarHBondContact O-N 3.19Å; N349-V352 PolarHBondContact O-N 3.36Å; N349-T353 WeakPolarHBondContact O-CB 3.34Å; N349-T353 VanDerWaalsContact O-CG2 3.31Å; N349-T353 WeakPolarHBondContact O-CG2 3.47Å; N349-T353 PolarHBondContact O-N 2.9Å; N349-T353 PolarHBondContact O-OG1 3.31Å
350R89.7Confident85.3Confident43 Ų4343.3 Ų43.316%0.16225%0.254CS..Hα-helixtrans-71.5-34.2175.1-75.6177.817380.4-3.9112.4F290 D294 Q346 V347 L348 K354 Y362F290-R350 VanDerWaalsContact CD1-CZ 3.5Å; D294-R350 IonicContact OD1-CZ 2.72Å; D294-R350 IonicContact OD1-NE 2.67Å; D294-R350 PolarHBondContact OD1-NE 3.35Å; D294-R350 IonicContact OD1-NH2 3.94Å; D294-R350 IonicContact OD2-CZ 3.86Å; D294-R350 IonicContact OD2-NE 2.82Å; D294-R350 PolarHBondContact OD2-NE 3.05Å; D294-R350 IonicContact OD2-NH2 2.94Å; D294-R350 PolarHBondContact OD2-NH2 3.33Å; Q346-R350 VanDerWaalsContact O-CG 3.31Å; Q346-R350 WeakPolarHBondContact O-CG 3.45Å; Q346-R350 PolarHBondContact O-NH1 2.83Å; Q346-R350 VanDerWaalsContact O-NH1 3.13Å; V347-R350 PolarHBondContact O-N 3.34Å; V347-R350 VanDerWaalsContact O-N 3.1Å; L348-R350 VanDerWaalsContact C-N 3.28Å; L348-R350 PolarHBondContact O-N 3.21Å; R350-K354 VanDerWaalsContact O-CB 3.26Å; R350-K354 WeakPolarHBondContact O-CB 3.37Å; R350-K354 PolarHBondContact O-N 2.95Å; R350-Y362 HydrophobicContact CB-CD2 4.39Å; R350-Y362 HydrophobicContact CB-CE2 4.34Å
351L86.8Confident85.3Confident2 Ų242.4 Ų42.41%0.0125%0.252CS..Hα-helixtrans-63-42.3172.6-63.3179.8000111.8V347 L348 V359 L363 L394 F402V347-L351 HydrophobicContact CG1-CD1 4.41Å; V347-L351 WeakPolarHBondContact O-CG 3.28Å; V347-L351 PolarHBondContact O-N 3.31Å; L348-L351 HydrophobicContact CD2-CD1 4.35Å; L348-L351 WeakPolarHBondContact O-CB 2.92Å; L348-L351 PolarHBondContact O-N 2.82Å; L351-V359 HydrophobicContact CD2-CB 3.95Å; L351-V359 HydrophobicContact CD2-CG2 4.03Å; L351-L363 HydrophobicContact CD1-CD2 3.77Å; L351-L363 HydrophobicContact CD2-CD2 3.6Å; L351-L363 HydrophobicContact CD2-CG 3.7Å; L351-L363 HydrophobicContact CG-CD2 4.33Å; L351-L394 WeakPolarHBondContact O-CD2 3.26Å; L351-F402 HydrophobicContact CD1-CD2 4Å; L351-F402 HydrophobicContact CD1-CE2 4.46Å
352V87.1Confident85.4Confident30 Ų3040.7 Ų40.718%0.18223%0.234CC..Hα-helixtrans-72.8-45.7-179.8176.80000112.4L348 N349 T387 H390L348-V352 PolarHBondContact O-N 3.36Å; N349-V352 PolarHBondContact O-N 3.36Å; V352-T387 HydrophobicContact CG2-CG2 3.99Å; V352-H390 HydrophobicContact CG1-CB 3.94Å; V352-H390 HydrophobicContact CG2-CB 4.2Å
353T86.4Confident85.3Confident102 Ų10238 Ų3863%0.62622%0.222SC*.Hα-helixtrans-82.5-28.2-170.855.10000114.6N349 T355N349-T353 WeakPolarHBondContact O-CB 3.34Å; N349-T353 VanDerWaalsContact O-CG2 3.31Å; N349-T353 WeakPolarHBondContact O-CG2 3.47Å; N349-T353 PolarHBondContact O-N 2.9Å; N349-T353 PolarHBondContact O-OG1 3.31Å; T353-T355 PolarHBondContact O-N 2.7Å
354K78.9Confident85.1Confident57 Ų5741.5 Ų41.525%0.24824%0.24CC..  trans-9451.7-172.8-66.2-170.4175.5-175.40114.2D294 R350 A356 S357 V359 Y362D294-K354 IonicContact OD1-NZ 2.61Å; D294-K354 PolarHBondContact OD1-NZ 3.03Å; R350-K354 VanDerWaalsContact O-CB 3.26Å; R350-K354 WeakPolarHBondContact O-CB 3.37Å; R350-K354 PolarHBondContact O-N 2.95Å; K354-A356 VanDerWaalsContact C-N 3.27Å; K354-A356 PolarHBondContact O-N 2.96Å; K354-S357 PolarHBondContact O-N 2.94Å; K354-S357 VanDerWaalsContact O-O 3.12Å; K354-V359 HydrophobicContact CB-CG1 3.87Å; K354-Y362 HydrophobicContact CD-CE2 4.4Å; K354-Y362 PolarHBondContact NZ-OH 3.06Å
355T68.9Low85.1Confident73 Ų7341.6 Ų41.645%0.44824%0.241SC..THydrogen-bonded Turntrans-63.4-25.3-17656.60000115.1T353 L394 P395T353-T355 PolarHBondContact O-N 2.7Å; T355-L394 HydrophobicContact CG2-CD2 4.16Å; T355-P395 WeakPolarHBondContact O-CG 3.37Å
356A71.1Confident85.1Confident89 Ų8937.5 Ų37.574%0.73622%0.222SC*.THydrogen-bonded Turntrans-91.4-8.9-177.400000115.2K354K354-A356 VanDerWaalsContact C-N 3.27Å; K354-A356 PolarHBondContact O-N 2.96Å
357S77.3Confident84.8Confident40 Ų4036 Ų3628%0.2822%0.216SC..SBendtrans-120.1146.8-178.660.30000111.4K354 V359K354-S357 PolarHBondContact O-N 2.94Å; K354-S357 VanDerWaalsContact O-O 3.12Å; S357-V359 PolarHBondContact O-N 2.89Å; S357-V359 VanDerWaalsContact O-N 3.17Å
358P80.8Confident84.4Confident37 Ų3738.8 Ų38.824%0.2423%0.231CC..  trans-57.3117.9177.7-24.332.7000113.6P298 H361P298-P358 HydrophobicContact CB-CB 4.12Å; P298-P358 HydrophobicContact CB-CG 4.44Å; P298-P358 WeakPolarHBondContact O-CD 3.43Å; P358-H361 PolarHBondContact O-CE1 2.97Å; P358-H361 PolarHBondContact O-ND1 3.12Å
359V85.4Confident84.3Confident5 Ų538.7 Ų38.73%0.0323%0.23CC..  trans-100.210.2178.8-63.10000114.3L351 K354 S357 H361 Y362 L363 T398L351-V359 HydrophobicContact CD2-CB 3.95Å; L351-V359 HydrophobicContact CD2-CG2 4.03Å; K354-V359 HydrophobicContact CB-CG1 3.87Å; S357-V359 PolarHBondContact O-N 2.89Å; S357-V359 VanDerWaalsContact O-N 3.17Å; V359-H361 VanDerWaalsContact C-N 3.33Å; V359-H361 PolarHBondContact O-N 3.3Å; V359-Y362 HydrophobicContact CB-CD2 4.3Å; V359-Y362 HydrophobicContact CG1-CD2 4.43Å; V359-Y362 PolarHBondContact O-N 2.95Å; V359-L363 HydrophobicContact CG2-CD1 4.07Å; V359-L363 HydrophobicContact CG2-CG 4.48Å; V359-L363 PolarHBondContact O-N 3.36Å; V359-L363 VanDerWaalsContact O-N 3.11Å; V359-T398 HydrophobicContact CG2-CG2 3.64Å; V359-T398 WeakPolarHBondContact CG2-OG1 3.47Å
360S83.9Confident83.8Confident55 Ų5535 Ų3539%0.38521%0.211SC..Hα-helixtrans-50.1-47.7-178.548.90000113.4Y362 L363 D364S360-Y362 VanDerWaalsContact C-N 3.29Å; S360-Y362 PolarHBondContact O-N 2.99Å; S360-L363 CarbonylContact O-C 3.6Å; S360-L363 WeakPolarHBondContact O-CA 3.35Å; S360-L363 WeakPolarHBondContact O-CB 3.28Å; S360-L363 PolarHBondContact O-N 3.45Å; S360-D364 PolarHBondContact O-N 3.4Å
361H86.9Confident83.3Confident28 Ų2835.2 Ų35.213%0.1322%0.219CC..Hα-helixtrans-59-30.1176.463.3-61.3000115.2M293 P298 P358 V359 L365M293-H361 HydrophobicContact CE-CB 4.29Å; M293-H361 VanDerWaalsContact CE-O 3.29Å; M293-H361 WeakPolarHBondContact CE-O 3.43Å; P298-H361 WeakPolarHBondContact CD-ND1 3.46Å; P358-H361 PolarHBondContact O-CE1 2.97Å; P358-H361 PolarHBondContact O-ND1 3.12Å; V359-H361 VanDerWaalsContact C-N 3.33Å; V359-H361 PolarHBondContact O-N 3.3Å; H361-L365 PolarHBondContact O-N 3.25Å
362Y90Very high82.8Confident0 Ų037.2 Ų37.20%023%0.233CC..Hα-helixtrans-78.6-31.9171-64.4-65.7000112.2F290 M293 D294 R350 K354 V359 S360 F366F290-Y362 HydrophobicContact CD1-CE1 4.17Å; F290-Y362 HydrophobicContact CE1-CE1 4.37Å; M293-Y362 HydrophobicContact CB-CE1 3.84Å; M293-Y362 HydrophobicContact CE-CD1 3.51Å; M293-Y362 HydrophobicContact CE-CE1 3.68Å; M293-Y362 HydrophobicContact CE-CG 4.25Å; M293-Y362 HydrophobicContact SD-CD1 4.27Å; M293-Y362 HydrophobicContact SD-CE1 4.02Å; D294-Y362 PolarHBondContact N-OH 2.97Å; D294-Y362 PolarHBondContact OD1-OH 3.22Å; R350-Y362 HydrophobicContact CB-CD2 4.39Å; R350-Y362 HydrophobicContact CB-CE2 4.34Å; K354-Y362 HydrophobicContact CD-CE2 4.4Å; K354-Y362 PolarHBondContact NZ-OH 3.06Å; V359-Y362 HydrophobicContact CB-CD2 4.3Å; V359-Y362 HydrophobicContact CG1-CD2 4.43Å; V359-Y362 PolarHBondContact O-N 2.95Å; S360-Y362 VanDerWaalsContact C-N 3.29Å; S360-Y362 PolarHBondContact O-N 2.99Å; Y362-F366 VanDerWaalsContact O-CB 3.26Å; Y362-F366 WeakPolarHBondContact O-CB 3.38Å; Y362-F366 PolarHBondContact O-N 3.14Å
363L87Confident82.2Confident18 Ų1836.9 Ų36.99%0.09423%0.233CC..Hα-helixtrans-69.2-37.4174.7-66.5166.3000111.8L351 V359 S360 F366 S367 T398 F402L351-L363 HydrophobicContact CD1-CD2 3.77Å; L351-L363 HydrophobicContact CD2-CD2 3.6Å; L351-L363 HydrophobicContact CD2-CG 3.7Å; L351-L363 HydrophobicContact CG-CD2 4.33Å; V359-L363 HydrophobicContact CG2-CD1 4.07Å; V359-L363 HydrophobicContact CG2-CG 4.48Å; V359-L363 PolarHBondContact O-N 3.36Å; V359-L363 VanDerWaalsContact O-N 3.11Å; S360-L363 CarbonylContact O-C 3.6Å; S360-L363 WeakPolarHBondContact O-CA 3.35Å; S360-L363 WeakPolarHBondContact O-CB 3.28Å; S360-L363 PolarHBondContact O-N 3.45Å; L363-F366 PolarHBondContact O-N 3.44Å; L363-S367 VanDerWaalsContact O-CB 3.29Å; L363-S367 WeakPolarHBondContact O-CB 3.21Å; L363-S367 PolarHBondContact O-N 3.06Å; L363-T398 HydrophobicContact CD1-CG2 4.5Å; L363-F402 HydrophobicContact CD2-CB 3.97Å
364D85.5Confident81.5Confident73 Ų7332.8 Ų32.839%0.3921%0.208SC..Hα-helixtrans-63.7-49.3171.4-79.5-50.9000111S360 F366 S367 D368 R410S360-D364 PolarHBondContact O-N 3.4Å; D364-F366 VanDerWaalsContact C-N 3.32Å; D364-F366 PolarHBondContact O-N 2.95Å; D364-S367 WeakPolarHBondContact O-CB 3.16Å; D364-S367 PolarHBondContact O-N 3.14Å; D364-S367 VanDerWaalsContact O-N 3.16Å; D364-D368 VanDerWaalsContact O-CG 3.27Å; D364-D368 PolarHBondContact O-N 2.65Å; D364-R410 IonicContact OD1-CZ 3.55Å; D364-R410 IonicContact OD1-NH1 3.92Å; D364-R410 IonicContact OD1-NH2 2.65Å; D364-R410 PolarHBondContact OD1-NH2 3.22Å
365L89.6Confident81.2Confident6 Ų635.3 Ų35.33%0.03122%0.222CC..Hα-helixtrans-57.3-44.9174.717560.2000111.8M293 G326 L329 L330 V347 H361 D368 I369M293-L365 HydrophobicContact CE-CB 4.24Å; M293-L365 HydrophobicContact CE-CD2 4.01Å; M293-L365 HydrophobicContact SD-CD2 3.79Å; G326-L365 WeakPolarHBondContact O-CD1 3.31Å; L329-L365 HydrophobicContact CB-CD1 4.26Å; L329-L365 HydrophobicContact CB-CD2 3.94Å; L329-L365 HydrophobicContact CD1-CD2 3.66Å; L329-L365 HydrophobicContact CG-CD2 4.46Å; L330-L365 HydrophobicContact CB-CD1 3.97Å; V347-L365 HydrophobicContact CG2-CD2 3.88Å; V347-L365 HydrophobicContact CG2-CG 4.44Å; H361-L365 PolarHBondContact O-N 3.25Å; L365-D368 PolarHBondContact O-N 3.5Å; L365-I369 HydrophobicContact CD1-CD1 3.98Å; L365-I369 HydrophobicContact CD1-CG1 4.21Å; L365-I369 HydrophobicContact CG-CD1 3.93Å; L365-I369 WeakPolarHBondContact O-CB 3.4Å; L365-I369 VanDerWaalsContact O-CG1 3.27Å; L365-I369 WeakPolarHBondContact O-CG1 3.31Å; L365-I369 PolarHBondContact O-N 2.78Å
366F89.2Confident81.3Confident1 Ų133.4 Ų33.40%0.00421%0.209CC..Hα-helixtrans-62.2-44176.2-179.3-107.3000111.7L344 V347 L348 Y362 L363 D364 D368 I369 V370 L377 F402 A405 V406L344-F366 HydrophobicContact CD1-CD2 4.07Å; L344-F366 HydrophobicContact CD1-CE2 3.75Å; V347-F366 HydrophobicContact CG1-CB 3.97Å; V347-F366 HydrophobicContact CG1-CD2 4.36Å; L348-F366 HydrophobicContact CD2-CD2 4.3Å; L348-F366 HydrophobicContact CD2-CE2 3.92Å; L348-F366 HydrophobicContact CD2-CZ 4.36Å; Y362-F366 VanDerWaalsContact O-CB 3.26Å; Y362-F366 WeakPolarHBondContact O-CB 3.38Å; Y362-F366 PolarHBondContact O-N 3.14Å; L363-F366 PolarHBondContact O-N 3.44Å; D364-F366 VanDerWaalsContact C-N 3.32Å; D364-F366 PolarHBondContact O-N 2.95Å; F366-D368 VanDerWaalsContact C-N 3.3Å; F366-D368 PolarHBondContact O-N 3.05Å; F366-I369 PolarHBondContact O-N 2.75Å; F366-V370 HydrophobicContact CD1-CG2 4.17Å; F366-V370 HydrophobicContact CD2-CG2 4.42Å; F366-V370 HydrophobicContact CE1-CG2 3.8Å; F366-V370 HydrophobicContact CE2-CG2 4.07Å; F366-V370 HydrophobicContact CG-CG2 4.46Å; F366-V370 HydrophobicContact CZ-CG2 3.74Å; F366-V370 WeakPolarHBondContact O-CG2 3.25Å; F366-V370 PolarHBondContact O-N 3.27Å; F366-L377 HydrophobicContact CE2-CD2 4.01Å; F366-L377 HydrophobicContact CZ-CD2 4.45Å; F366-F402 HydrophobicContact CD1-CD2 4.05Å; F366-F402 HydrophobicContact CD1-CE2 4.26Å; F366-F402 AromaticContact CE1-CD2 3.68Å; F366-F402 HydrophobicContact CE1-CD2 3.68Å; F366-F402 AromaticContact CE1-CE2 3.57Å; F366-F402 HydrophobicContact CE1-CE2 3.57Å; F366-F402 HydrophobicContact CE2-CE2 4.4Å; F366-F402 HydrophobicContact CZ-CD2 4.24Å; F366-F402 AromaticContact CZ-CE2 3.66Å; F366-F402 HydrophobicContact CZ-CE2 3.66Å; F366-A405 HydrophobicContact CD1-CB 3.61Å; F366-A405 HydrophobicContact CE1-CB 3.94Å; F366-V406 HydrophobicContact CE1-CG2 3.71Å; F366-V406 HydrophobicContact CZ-CG2 3.94Å
367S84.8Confident81.3Confident12 Ų1229.2 Ų29.28%0.08417%0.174CC..Hα-helixtrans-62.1-36.4176.1-169.60000112.6L363 D364 S371L363-S367 VanDerWaalsContact O-CB 3.29Å; L363-S367 WeakPolarHBondContact O-CB 3.21Å; L363-S367 PolarHBondContact O-N 3.06Å; D364-S367 WeakPolarHBondContact O-CB 3.16Å; D364-S367 PolarHBondContact O-N 3.14Å; D364-S367 VanDerWaalsContact O-N 3.16Å; S367-S371 VanDerWaalsContact O-CB 3.3Å; S367-S371 WeakPolarHBondContact O-CB 3.18Å; S367-S371 PolarHBondContact O-N 3.27Å; S367-S371 PolarHBondContact O-OG 3.13Å
368D83.8Confident81Confident59 Ų5928.9 Ų28.932%0.31617%0.169SC..Hα-helixtrans-76.2-35.9178.7-66.6-14.1000111.3L330 D364 L365 F366 S371 S372 R410L330-D368 HydrophobicContact CD1-CB 4.13Å; L330-D368 HydrophobicContact CD2-CB 3.94Å; D364-D368 VanDerWaalsContact O-CG 3.27Å; D364-D368 PolarHBondContact O-N 2.65Å; L365-D368 PolarHBondContact O-N 3.5Å; F366-D368 VanDerWaalsContact C-N 3.3Å; F366-D368 PolarHBondContact O-N 3.05Å; D368-S371 PolarHBondContact O-N 2.98Å; D368-S372 VanDerWaalsContact O-CB 3.23Å; D368-S372 WeakPolarHBondContact O-CB 3.31Å; D368-S372 PolarHBondContact O-N 3.41Å; D368-S372 PolarHBondContact O-OG 3.34Å; D368-R410 IonicContact OD1-CZ 3.41Å; D368-R410 IonicContact OD1-NH1 2.98Å; D368-R410 PolarHBondContact OD1-NH1 3.13Å
369I86.4Confident80.6Confident0 Ų034.7 Ų34.70%019%0.193CC..Hα-helixtrans-59.4-53.2168.7-72.3167.5000109.8L330 F333 I343 L365 F366 S371 S372 A373 L377L330-I369 HydrophobicContact CD1-CG1 3.94Å; F333-I369 HydrophobicContact CD1-CG1 4.5Å; F333-I369 HydrophobicContact CD1-CG2 4.11Å; F333-I369 HydrophobicContact CD2-CD1 4.5Å; F333-I369 HydrophobicContact CD2-CG2 4.24Å; F333-I369 HydrophobicContact CE1-CG2 3.74Å; F333-I369 HydrophobicContact CE2-CG2 3.86Å; F333-I369 HydrophobicContact CG-CG1 4.35Å; F333-I369 HydrophobicContact CG-CG2 4.36Å; F333-I369 HydrophobicContact CZ-CG2 3.61Å; I343-I369 HydrophobicContact CG2-CD1 4.13Å; L365-I369 HydrophobicContact CD1-CD1 3.98Å; L365-I369 HydrophobicContact CD1-CG1 4.21Å; L365-I369 HydrophobicContact CG-CD1 3.93Å; L365-I369 WeakPolarHBondContact O-CB 3.4Å; L365-I369 VanDerWaalsContact O-CG1 3.27Å; L365-I369 WeakPolarHBondContact O-CG1 3.31Å; L365-I369 PolarHBondContact O-N 2.78Å; F366-I369 PolarHBondContact O-N 2.75Å; I369-S371 VanDerWaalsContact C-N 3.33Å; I369-S371 PolarHBondContact O-N 3.41Å; I369-S372 PolarHBondContact O-N 3.4Å; I369-S372 VanDerWaalsContact O-N 3.08Å; I369-S372 PolarHBondContact O-OG 3.18Å; I369-A373 PolarHBondContact O-N 3.14Å; I369-A373 VanDerWaalsContact O-N 3.12Å; I369-L377 HydrophobicContact CG2-CD1 4.29Å
370V81.1Confident80Confident6 Ų635.3 Ų35.34%0.03620%0.198CC..Hα-helixtrans-57-44.6177.91760000111.8F366 S372 P374 L377 A405 L435F366-V370 HydrophobicContact CD1-CG2 4.17Å; F366-V370 HydrophobicContact CD2-CG2 4.42Å; F366-V370 HydrophobicContact CE1-CG2 3.8Å; F366-V370 HydrophobicContact CE2-CG2 4.07Å; F366-V370 HydrophobicContact CG-CG2 4.46Å; F366-V370 HydrophobicContact CZ-CG2 3.74Å; F366-V370 WeakPolarHBondContact O-CG2 3.25Å; F366-V370 PolarHBondContact O-N 3.27Å; V370-S372 VanDerWaalsContact C-N 3.29Å; V370-S372 PolarHBondContact O-N 2.88Å; V370-P374 WeakPolarHBondContact O-CD 3.45Å; V370-L377 VanDerWaalsContact CA-CD1 3.44Å; V370-L377 HydrophobicContact CB-CD1 3.89Å; V370-L377 HydrophobicContact CG1-CD1 4.3Å; V370-L377 HydrophobicContact CG2-CD1 3.49Å; V370-L377 VanDerWaalsContact CG2-CD1 3.49Å; V370-A405 WeakPolarHBondContact CG1-O 3.46Å; V370-L435 HydrophobicContact CG1-CD1 3.81Å; V370-L435 HydrophobicContact CG1-CG 4.29Å; V370-L435 HydrophobicContact CG2-CD1 4.44Å
371S78.1Confident79.5Confident46 Ų4634.1 Ų34.132%0.32219%0.19SC..Hα-helixtrans-68.9-27.6179.1-58.30000112.7S367 D368 I369S367-S371 VanDerWaalsContact O-CB 3.3Å; S367-S371 WeakPolarHBondContact O-CB 3.18Å; S367-S371 PolarHBondContact O-N 3.27Å; S367-S371 PolarHBondContact O-OG 3.13Å; D368-S371 PolarHBondContact O-N 2.98Å; I369-S371 VanDerWaalsContact C-N 3.33Å; I369-S371 PolarHBondContact O-N 3.41Å
372S77.6Confident79.2Confident45 Ų4535.7 Ų35.732%0.31520%0.204SC..Hα-helixtrans-84.6-33.9-176.570.90000114.8D368 I369 V370D368-S372 VanDerWaalsContact O-CB 3.23Å; D368-S372 WeakPolarHBondContact O-CB 3.31Å; D368-S372 PolarHBondContact O-N 3.41Å; D368-S372 PolarHBondContact O-OG 3.34Å; I369-S372 PolarHBondContact O-N 3.4Å; I369-S372 VanDerWaalsContact O-N 3.08Å; I369-S372 PolarHBondContact O-OG 3.18Å; V370-S372 VanDerWaalsContact C-N 3.29Å; V370-S372 PolarHBondContact O-N 2.88Å
373A73.1Confident78.8Confident22 Ų2239.3 Ų39.318%0.18222%0.219CC..  trans-153.469.6-177.700000112.3F333 I369 M375 I376F333-A373 HydrophobicContact CE1-CB 4.24Å; I369-A373 PolarHBondContact O-N 3.14Å; I369-A373 VanDerWaalsContact O-N 3.12Å; A373-M375 PolarHBondContact O-N 3.49Å; A373-I376 HydrophobicContact CB-CB 4.49Å; A373-I376 HydrophobicContact CB-CD1 3.62Å; A373-I376 HydrophobicContact CB-CG1 3.97Å; A373-I376 PolarHBondContact O-N 3.41Å
374P72.9Confident78.6Confident16 Ų1638.6 Ų38.610%0.10422%0.216CC..Hα-helixtrans-62.1-29.3-174.223.5-33.2000113.5V370 I376 L377 L431 L435V370-P374 WeakPolarHBondContact O-CD 3.45Å; P374-I376 VanDerWaalsContact C-N 3.31Å; P374-I376 PolarHBondContact O-N 3.37Å; P374-L377 PolarHBondContact O-N 2.92Å; P374-L431 HydrophobicContact CG-CD2 4.1Å; P374-L435 HydrophobicContact CB-CD2 3.78Å; P374-L435 WeakPolarHBondContact O-CD2 3.47Å
375M72.5Confident78.5Confident110 Ų11036.8 Ų36.854%0.54221%0.207SC..Hα-helixtrans-62.5-35.3178.5-64.6-58.9-64.300113A373 L377 L378 L431A373-M375 PolarHBondContact O-N 3.49Å; M375-L377 VanDerWaalsContact C-N 3.28Å; M375-L377 PolarHBondContact O-N 2.83Å; M375-L378 HydrophobicContact CE-CD1 4.16Å; M375-L378 WeakPolarHBondContact O-CB 3.41Å; M375-L378 PolarHBondContact O-N 3.43Å; M375-L378 VanDerWaalsContact O-N 3.11Å; M375-L378 HydrophobicContact SD-CD1 3.96Å; M375-L431 HydrophobicContact CG-CD2 4.24Å
376I70.2Confident78.3Confident33 Ų3341.7 Ų41.717%0.16923%0.23CC..Hα-helixtrans-71.3-26.6-177.7-53-179000111.3F333 R340 A373 P374 L378 E379 S380F333-I376 HydrophobicContact CE1-CD1 4.44Å; F333-I376 HydrophobicContact CZ-CB 4.43Å; F333-I376 HydrophobicContact CZ-CG2 4.1Å; R340-I376 HydrophobicContact CB-CG2 4.5Å; A373-I376 HydrophobicContact CB-CB 4.49Å; A373-I376 HydrophobicContact CB-CD1 3.62Å; A373-I376 HydrophobicContact CB-CG1 3.97Å; A373-I376 PolarHBondContact O-N 3.41Å; P374-I376 VanDerWaalsContact C-N 3.31Å; P374-I376 PolarHBondContact O-N 3.37Å; I376-L378 VanDerWaalsContact C-N 3.28Å; I376-L378 PolarHBondContact O-N 2.99Å; I376-E379 PolarHBondContact O-N 3.41Å; I376-S380 PolarHBondContact O-N 2.73Å; I376-S380 PolarHBondContact O-OG 2.84Å
377L71.4Confident78.2Confident1 Ų142 Ų421%0.00523%0.232CC..Hα-helixtrans-72.2-20.5173-81.7143.6000113.3L344 F366 I369 V370 P374 M375 S380 S381 V384 L435L344-L377 HydrophobicContact CD1-CD2 3.68Å; L344-L377 HydrophobicContact CD2-CD2 3.8Å; L344-L377 HydrophobicContact CG-CD2 4.42Å; F366-L377 HydrophobicContact CE2-CD2 4.01Å; F366-L377 HydrophobicContact CZ-CD2 4.45Å; I369-L377 HydrophobicContact CG2-CD1 4.29Å; V370-L377 VanDerWaalsContact CA-CD1 3.44Å; V370-L377 HydrophobicContact CB-CD1 3.89Å; V370-L377 HydrophobicContact CG1-CD1 4.3Å; V370-L377 HydrophobicContact CG2-CD1 3.49Å; V370-L377 VanDerWaalsContact CG2-CD1 3.49Å; P374-L377 PolarHBondContact O-N 2.92Å; M375-L377 VanDerWaalsContact C-N 3.28Å; M375-L377 PolarHBondContact O-N 2.83Å; L377-S380 WeakPolarHBondContact CA-OG 3.47Å; L377-S380 CarbonylContact O-C 3.54Å; L377-S380 PolarHBondContact O-N 3.01Å; L377-S380 PolarHBondContact O-OG 2.82Å; L377-S381 PolarHBondContact O-N 2.91Å; L377-S381 VanDerWaalsContact O-N 3.13Å; L377-V384 HydrophobicContact CD2-CG2 4.26Å; L377-L435 HydrophobicContact CB-CD1 4.17Å; L377-L435 HydrophobicContact CB-CD2 4.46Å; L377-L435 HydrophobicContact CD1-CD1 4.38Å
378L71.1Confident78.2Confident34 Ų3441.4 Ų41.418%0.17823%0.228CC..Hα-helixtrans-73.8-38.2174.8-58.7173.9000111M375 I376 S380 S381 L435 V438 L442M375-L378 HydrophobicContact CE-CD1 4.16Å; M375-L378 WeakPolarHBondContact O-CB 3.41Å; M375-L378 PolarHBondContact O-N 3.43Å; M375-L378 VanDerWaalsContact O-N 3.11Å; M375-L378 HydrophobicContact SD-CD1 3.96Å; I376-L378 VanDerWaalsContact C-N 3.28Å; I376-L378 PolarHBondContact O-N 2.99Å; L378-S380 PolarHBondContact O-N 2.97Å; L378-S381 WeakPolarHBondContact O-CB 3.48Å; L378-S381 PolarHBondContact O-N 2.93Å; L378-S381 PolarHBondContact O-OG 3.38Å; L378-L435 HydrophobicContact CD2-CD2 4.02Å; L378-L435 HydrophobicContact CG-CD2 4.34Å; L378-V438 HydrophobicContact CD1-CB 4.43Å; L378-V438 HydrophobicContact CD1-CG1 3.64Å; L378-L442 HydrophobicContact CD2-CD1 4.4Å
379E71.8Confident78.3Confident158 Ų15842.9 Ų42.974%0.73824%0.236SC*.Hα-helixtrans-62-29.5173.9-60.2172.9168.500112.2I376I376-E379 PolarHBondContact O-N 3.41Å
380S72.3Confident78.3Confident18 Ų1847 Ų4713%0.12626%0.255CS..THydrogen-bonded Turntrans-105.617.5-179.847.70000113.8L344 I376 L377 L378 S382 K383L344-S380 WeakPolarHBondContact CD2-OG 3.38Å; I376-S380 PolarHBondContact O-N 2.73Å; I376-S380 PolarHBondContact O-OG 2.84Å; L377-S380 WeakPolarHBondContact CA-OG 3.47Å; L377-S380 CarbonylContact O-C 3.54Å; L377-S380 PolarHBondContact O-N 3.01Å; L377-S380 PolarHBondContact O-OG 2.82Å; L378-S380 PolarHBondContact O-N 2.97Å; S380-S382 PolarHBondContact O-N 2.87Å; S380-K383 PolarHBondContact O-N 2.92Å; S380-K383 VanDerWaalsContact O-N 3.15Å
381S74.4Confident78.5Confident31 Ų3146.8 Ų46.822%0.21725%0.254CS..Hα-helixtrans-58.2-21.3-174.351.60000115.6L377 L378 V384 T385L377-S381 PolarHBondContact O-N 2.91Å; L377-S381 VanDerWaalsContact O-N 3.13Å; L378-S381 WeakPolarHBondContact O-CB 3.48Å; L378-S381 PolarHBondContact O-N 2.93Å; L378-S381 PolarHBondContact O-OG 3.38Å; S381-V384 PolarHBondContact O-N 3.47Å; S381-T385 PolarHBondContact O-N 2.9Å; S381-T385 PolarHBondContact O-OG1 3.4Å
382S80.4Confident78.7Confident61 Ų6145.6 Ų45.643%0.42725%0.245SC..Hα-helixtrans-61.7-45.4173.955.30000112.6S380 V384 T385 E386S380-S382 PolarHBondContact O-N 2.87Å; S382-V384 VanDerWaalsContact C-N 3.34Å; S382-V384 PolarHBondContact O-N 3.37Å; S382-T385 CarbonylContact O-C 3.6Å; S382-T385 WeakPolarHBondContact O-CA 3.48Å; S382-T385 VanDerWaalsContact O-CB 3.31Å; S382-T385 WeakPolarHBondContact O-CB 3.36Å; S382-T385 PolarHBondContact O-N 2.8Å; S382-E386 WeakPolarHBondContact O-CG 3.43Å; S382-E386 PolarHBondContact O-N 3.47Å
383K81.3Confident79Confident75 Ų7550.9 Ų50.933%0.32626%0.259SS..Hα-helixtrans-66.1-35.4178.8-75.196.4178.5-166.70112.8L348 S380 T385 E386 T387L348-K383 HydrophobicContact CD1-CB 3.88Å; S380-K383 PolarHBondContact O-N 2.92Å; S380-K383 VanDerWaalsContact O-N 3.15Å; K383-T385 VanDerWaalsContact C-N 3.3Å; K383-E386 PolarHBondContact O-N 2.87Å; K383-T387 PolarHBondContact O-N 3.3Å; K383-T387 PolarHBondContact O-OG1 3.18Å
384V82.8Confident79.6Confident3 Ų350.1 Ų50.12%0.01825%0.251CS..Hα-helixtrans-66-37.4173.4-178.40000110.2L348 L377 S381 S382 T387 F388 F402 V406 L442L348-V384 HydrophobicContact CD1-CG2 4.39Å; L377-V384 HydrophobicContact CD2-CG2 4.26Å; S381-V384 PolarHBondContact O-N 3.47Å; S382-V384 VanDerWaalsContact C-N 3.34Å; S382-V384 PolarHBondContact O-N 3.37Å; V384-T387 WeakPolarHBondContact O-CB 3.23Å; V384-T387 PolarHBondContact O-N 2.96Å; V384-F388 HydrophobicContact CG1-CE1 4.29Å; V384-F388 HydrophobicContact CG1-CE2 4.36Å; V384-F388 HydrophobicContact CG1-CZ 3.9Å; V384-F388 PolarHBondContact O-N 3.04Å; V384-F402 HydrophobicContact CG1-CZ 4.23Å; V384-V406 HydrophobicContact CG1-CG2 4.48Å; V384-L442 HydrophobicContact CB-CD2 4.09Å; V384-L442 HydrophobicContact CG1-CD2 3.99Å
385T84.1Confident80.2Confident35 Ų3551.5 Ų51.522%0.21526%0.261CS..Hα-helixtrans-66.8-45.2175-54.10000112.2S381 S382 K383 T387 F388 L442S381-T385 PolarHBondContact O-N 2.9Å; S381-T385 PolarHBondContact O-OG1 3.4Å; S382-T385 CarbonylContact O-C 3.6Å; S382-T385 WeakPolarHBondContact O-CA 3.48Å; S382-T385 VanDerWaalsContact O-CB 3.31Å; S382-T385 WeakPolarHBondContact O-CB 3.36Å; S382-T385 PolarHBondContact O-N 2.8Å; K383-T385 VanDerWaalsContact C-N 3.3Å; T385-T387 PolarHBondContact O-N 3.43Å; T385-F388 WeakPolarHBondContact O-CA 3.37Å; T385-F388 VanDerWaalsContact O-CB 3.29Å; T385-F388 WeakPolarHBondContact O-CB 3.42Å; T385-F388 PolarHBondContact O-N 2.73Å; T385-L442 WeakPolarHBondContact OG1-CD2 3.36Å
386E86Confident80.6Confident109 Ų10948.1 Ų48.151%0.50924%0.244SC..Hα-helixtrans-57.7-39173.7-70.3159.9-164.200111.4S382 K383 F388 D389 H390S382-E386 WeakPolarHBondContact O-CG 3.43Å; S382-E386 PolarHBondContact O-N 3.47Å; K383-E386 PolarHBondContact O-N 2.87Å; E386-F388 PolarHBondContact O-N 3.4Å; E386-D389 PolarHBondContact O-N 3.3Å; E386-H390 PolarHBondContact O-CD2 3.32Å; E386-H390 VanDerWaalsContact O-CD2 3.28Å
387T86.1Confident81Confident7 Ų748.9 Ų48.94%0.04326%0.261CS..Hα-helixtrans-63.5-29174.5-52.60000112.2L348 V352 K383 V384 T385 H390 F402L348-T387 HydrophobicContact CD2-CG2 4.3Å; V352-T387 HydrophobicContact CG2-CG2 3.99Å; K383-T387 PolarHBondContact O-N 3.3Å; K383-T387 PolarHBondContact O-OG1 3.18Å; V384-T387 WeakPolarHBondContact O-CB 3.23Å; V384-T387 PolarHBondContact O-N 2.96Å; T385-T387 PolarHBondContact O-N 3.43Å; T387-H390 PolarHBondContact O-N 2.87Å; T387-F402 HydrophobicContact CG2-CD1 4.4Å; T387-F402 HydrophobicContact CG2-CE1 3.67Å; T387-F402 HydrophobicContact CG2-CE2 4.07Å; T387-F402 HydrophobicContact CG2-CZ 3.48Å; T387-F402 VanDerWaalsContact CG2-CZ 3.48Å
388F85.9Confident81.7Confident0 Ų049.6 Ų49.60%027%0.265CS..Hα-helixtrans-64.9-41.2174.8-62.7-35000112.3V384 T385 E386 H390 L391 F402 L403 L442 L446 V449V384-F388 HydrophobicContact CG1-CE1 4.29Å; V384-F388 HydrophobicContact CG1-CE2 4.36Å; V384-F388 HydrophobicContact CG1-CZ 3.9Å; V384-F388 PolarHBondContact O-N 3.04Å; T385-F388 WeakPolarHBondContact O-CA 3.37Å; T385-F388 VanDerWaalsContact O-CB 3.29Å; T385-F388 WeakPolarHBondContact O-CB 3.42Å; T385-F388 PolarHBondContact O-N 2.73Å; E386-F388 PolarHBondContact O-N 3.4Å; F388-H390 PolarHBondContact O-N 3.1Å; F388-H390 VanDerWaalsContact O-N 3.07Å; F388-L391 HydrophobicContact CB-CD1 4.09Å; F388-L391 HydrophobicContact CD1-CD1 3.88Å; F388-L391 HydrophobicContact CG-CD1 4.37Å; F388-L391 WeakPolarHBondContact O-CB 3.48Å; F388-L391 VanDerWaalsContact O-CG 3.23Å; F388-L391 WeakPolarHBondContact O-CG 3.42Å; F388-L391 PolarHBondContact O-N 2.87Å; F388-F402 AromaticContact CD1-CE1 3.77Å; F388-F402 HydrophobicContact CD1-CE1 3.77Å; F388-F402 AromaticContact CE1-CE1 3.65Å; F388-F402 HydrophobicContact CE1-CE1 3.65Å; F388-F402 HydrophobicContact CE1-CZ 4.29Å; F388-L403 HydrophobicContact CE1-CD2 4.41Å; F388-L442 HydrophobicContact CE2-CD2 3.82Å; F388-L442 HydrophobicContact CZ-CD2 4.44Å; F388-L446 HydrophobicContact CD1-CD1 3.89Å; F388-L446 HydrophobicContact CD2-CB 3.98Å; F388-L446 HydrophobicContact CD2-CD1 4.43Å; F388-L446 HydrophobicContact CE1-CD1 4.04Å; F388-L446 HydrophobicContact CE2-CB 3.84Å; F388-L446 HydrophobicContact CG-CB 4.49Å; F388-L446 HydrophobicContact CG-CD1 4.12Å; F388-L446 HydrophobicContact CZ-CB 4.23Å; F388-L446 HydrophobicContact CZ-CD1 4.38Å; F388-L446 HydrophobicContact CZ-CD2 4.37Å; F388-V449 HydrophobicContact CB-CG1 4.5Å; F388-V449 HydrophobicContact CB-CG2 4.13Å; F388-V449 VanDerWaalsContact O-CG1 3.25Å; F388-V449 WeakPolarHBondContact O-CG1 3.36Å
389D85.7Confident82.3Confident91 Ų9148 Ų4849%0.48726%0.257SS..Hα-helixtrans-59.2-26.4-179.8-74.7-39.9000112.8E386 V449E386-D389 PolarHBondContact O-N 3.3Å; D389-V449 WeakPolarHBondContact OD1-CG2 3.41Å
390H86.2Confident82.8Confident85 Ų8542.9 Ų42.939%0.39423%0.233SC..G310 helixtrans-82.9-8.9175.9-62.7-62.7000115.2V352 E386 T387 F388 T392 Y393 L394V352-H390 HydrophobicContact CG1-CB 3.94Å; V352-H390 HydrophobicContact CG2-CB 4.2Å; E386-H390 PolarHBondContact O-CD2 3.32Å; E386-H390 VanDerWaalsContact O-CD2 3.28Å; T387-H390 PolarHBondContact O-N 2.87Å; F388-H390 PolarHBondContact O-N 3.1Å; F388-H390 VanDerWaalsContact O-N 3.07Å; H390-T392 PolarHBondContact O-N 3.46Å; H390-Y393 PolarHBondContact O-N 3.25Å; H390-L394 PolarHBondContact O-N 3.17Å
391L83.9Confident83.2Confident3 Ų343.1 Ų43.12%0.01624%0.238CC..G310 helixtrans-54-28.9-176.7-77.1172.2000114.5F388 Y393 L394 V399 F402 L403 L446 V449F388-L391 HydrophobicContact CB-CD1 4.09Å; F388-L391 HydrophobicContact CD1-CD1 3.88Å; F388-L391 HydrophobicContact CG-CD1 4.37Å; F388-L391 WeakPolarHBondContact O-CB 3.48Å; F388-L391 VanDerWaalsContact O-CG 3.23Å; F388-L391 WeakPolarHBondContact O-CG 3.42Å; F388-L391 PolarHBondContact O-N 2.87Å; L391-Y393 VanDerWaalsContact C-N 3.3Å; L391-Y393 PolarHBondContact O-N 3.19Å; L391-L394 HydrophobicContact CD2-CD1 4.49Å; L391-V399 HydrophobicContact CD2-CB 4.25Å; L391-V399 HydrophobicContact CD2-CG1 3.88Å; L391-V399 HydrophobicContact CD2-CG2 3.78Å; L391-F402 HydrophobicContact CD2-CD1 4.17Å; L391-L403 HydrophobicContact CD1-CD2 4.45Å; L391-L446 HydrophobicContact CD1-CD1 3.79Å; L391-V449 HydrophobicContact CB-CG1 4.44Å; L391-V449 HydrophobicContact CD1-CG1 4.18Å
392T83.6Confident83.8Confident21 Ų2141.7 Ų41.713%0.12923%0.228CC..G310 helixtrans-71.5-23.4-17949.50000113.9H390 A453 G461H390-T392 PolarHBondContact O-N 3.46Å; T392-A453 HydrophobicContact CG2-CB 3.46Å; T392-A453 VanDerWaalsContact CG2-CB 3.46Å; T392-G461 WeakPolarHBondContact O-CA 3.38Å
393Y84.4Confident84Confident156 Ų15638.9 Ų38.961%0.61221%0.208SC*.THydrogen-bonded Turntrans-103.2-6.7-177.8-53.4-71.3000113.1H390 L391H390-Y393 PolarHBondContact O-N 3.25Å; L391-Y393 VanDerWaalsContact C-N 3.3Å; L391-Y393 PolarHBondContact O-N 3.19Å
394L84.8Confident83.9Confident5 Ų539.1 Ų39.13%0.02621%0.209CC..SBendtrans-82.3144.2-179.4-77.2178.7000111.7L351 T355 H390 L391 T398 V399L351-L394 WeakPolarHBondContact O-CD2 3.26Å; T355-L394 HydrophobicContact CG2-CD2 4.16Å; H390-L394 PolarHBondContact O-N 3.17Å; L391-L394 HydrophobicContact CD2-CD1 4.49Å; L394-T398 HydrophobicContact CD1-CG2 4.34Å; L394-T398 HydrophobicContact CD2-CG2 4.28Å; L394-V399 HydrophobicContact CB-CG2 3.62Å; L394-V399 HydrophobicContact CD1-CG2 4.49Å
395P84.6Confident83.7Confident46 Ų4639.1 Ų39.130%0.29921%0.209SC..  trans-57.5140.8170.1-22.532.2000111.5T355 G397 T398 V399T355-P395 WeakPolarHBondContact O-CG 3.37Å; P395-G397 VanDerWaalsContact C-N 3.26Å; P395-G397 PolarHBondContact O-N 3Å; P395-G397 VanDerWaalsContact O-N 3.13Å; P395-T398 WeakPolarHBondContact O-CA 3.37Å; P395-T398 VanDerWaalsContact O-CB 3.28Å; P395-T398 WeakPolarHBondContact O-CB 3.28Å; P395-T398 PolarHBondContact O-N 3.09Å; P395-V399 PolarHBondContact O-N 2.99Å; P395-V399 VanDerWaalsContact O-N 3.13Å
396L81.6Confident83.2Confident38 Ų3837.5 Ų37.520%0.19920%0.2CC..Hα-helixtrans-50.9-41.5-176.6175.765.5000113.8T398 V399 Q400 K463 M533L396-T398 VanDerWaalsContact C-N 3.3Å; L396-T398 PolarHBondContact O-N 3.46Å; L396-V399 PolarHBondContact O-N 3.17Å; L396-Q400 HydrophobicContact CD1-CG 4.2Å; L396-Q400 HydrophobicContact CG-CG 4.42Å; L396-Q400 WeakPolarHBondContact O-CB 3.35Å; L396-Q400 WeakPolarHBondContact O-CG 3.2Å; L396-Q400 PolarHBondContact O-N 3.05Å; L396-K463 HydrophobicContact CD1-CB 4.11Å; L396-K463 HydrophobicContact CD2-CD 4.35Å; L396-M533 HydrophobicContact CD1-CE 3.79Å; L396-M533 HydrophobicContact CD2-CE 3.4Å; L396-M533 VanDerWaalsContact CD2-CE 3.4Å; L396-M533 HydrophobicContact CG-CE 4.22Å
397G79.3Confident82.2Confident50 Ų5032.7 Ų32.752%0.51518%0.177SC..Hα-helixtrans-63.2-35.7178.400000112.9P395 G401P395-G397 VanDerWaalsContact C-N 3.26Å; P395-G397 PolarHBondContact O-N 3Å; P395-G397 VanDerWaalsContact O-N 3.13Å; G397-G401 PolarHBondContact O-N 3.05Å
398T85.1Confident80.6Confident15 Ų1535.3 Ų35.39%0.09219%0.193CC..Hα-helixtrans-66.9-45.6174.4-51.60000110.8V359 L363 L394 P395 L396 G401 F402V359-T398 HydrophobicContact CG2-CG2 3.64Å; V359-T398 WeakPolarHBondContact CG2-OG1 3.47Å; L363-T398 HydrophobicContact CD1-CG2 4.5Å; L394-T398 HydrophobicContact CD1-CG2 4.34Å; L394-T398 HydrophobicContact CD2-CG2 4.28Å; P395-T398 WeakPolarHBondContact O-CA 3.37Å; P395-T398 VanDerWaalsContact O-CB 3.28Å; P395-T398 WeakPolarHBondContact O-CB 3.28Å; P395-T398 PolarHBondContact O-N 3.09Å; L396-T398 VanDerWaalsContact C-N 3.3Å; L396-T398 PolarHBondContact O-N 3.46Å; T398-G401 PolarHBondContact O-N 2.77Å; T398-F402 VanDerWaalsContact O-CB 3.26Å; T398-F402 WeakPolarHBondContact O-CB 3.38Å; T398-F402 PolarHBondContact O-N 3.46Å
399V85.1Confident78.7Confident1 Ų137 Ų371%0.00620%0.204CC..Hα-helixtrans-61.6-46.1176.3171.60000111.4L391 L394 P395 L396 G401 F402 L403 S464L391-V399 HydrophobicContact CD2-CB 4.25Å; L391-V399 HydrophobicContact CD2-CG1 3.88Å; L391-V399 HydrophobicContact CD2-CG2 3.78Å; L394-V399 HydrophobicContact CB-CG2 3.62Å; L394-V399 HydrophobicContact CD1-CG2 4.49Å; P395-V399 PolarHBondContact O-N 2.99Å; P395-V399 VanDerWaalsContact O-N 3.13Å; L396-V399 PolarHBondContact O-N 3.17Å; V399-G401 PolarHBondContact O-N 3.36Å; V399-F402 PolarHBondContact O-N 3.43Å; V399-L403 HydrophobicContact CG1-CD1 3.63Å; V399-L403 HydrophobicContact CG1-CG 4.16Å; V399-L403 WeakPolarHBondContact O-CB 3.31Å; V399-L403 VanDerWaalsContact O-CG 3.29Å; V399-L403 WeakPolarHBondContact O-CG 3.35Å; V399-L403 PolarHBondContact O-N 2.86Å; V399-S464 WeakPolarHBondContact CG2-OG 3.39Å
400Q81.4Confident76.5Confident51 Ų5138 Ų3824%0.23820%0.201CC..Hα-helixtrans-59.3-47.1176.8-79.5179.5200112L396 K404 T467L396-Q400 HydrophobicContact CD1-CG 4.2Å; L396-Q400 HydrophobicContact CG-CG 4.42Å; L396-Q400 WeakPolarHBondContact O-CB 3.35Å; L396-Q400 WeakPolarHBondContact O-CG 3.2Å; L396-Q400 PolarHBondContact O-N 3.05Å; Q400-K404 VanDerWaalsContact O-CB 3.25Å; Q400-K404 WeakPolarHBondContact O-CB 3.35Å; Q400-K404 WeakPolarHBondContact O-CG 3.28Å; Q400-K404 PolarHBondContact O-N 2.71Å; Q400-T467 HydrophobicContact CG-CG2 3.55Å
401G81.5Confident74.1Confident22 Ų2243.1 Ų43.123%0.22722%0.224CC..Hα-helixtrans-66.2-42.9178.100000112.6G397 T398 V399 K404 A405G397-G401 PolarHBondContact O-N 3.05Å; T398-G401 PolarHBondContact O-N 2.77Å; V399-G401 PolarHBondContact O-N 3.36Å; G401-K404 PolarHBondContact O-N 3.33Å; G401-A405 VanDerWaalsContact O-CB 3.29Å; G401-A405 WeakPolarHBondContact O-CB 3.45Å; G401-A405 PolarHBondContact O-N 3.26Å
402F86.8Confident71.6Confident2 Ų245.7 Ų45.71%0.00925%0.252CS..Hα-helixtrans-64.3-49.4179.6-178.4-117.5000111.7L348 L351 L363 F366 V384 T387 F388 L391 T398 V399 K404 A405 V406L348-F402 HydrophobicContact CD2-CE2 3.65Å; L348-F402 HydrophobicContact CD2-CZ 4.18Å; L351-F402 HydrophobicContact CD1-CD2 4Å; L351-F402 HydrophobicContact CD1-CE2 4.46Å; L363-F402 HydrophobicContact CD2-CB 3.97Å; F366-F402 HydrophobicContact CD1-CD2 4.05Å; F366-F402 HydrophobicContact CD1-CE2 4.26Å; F366-F402 AromaticContact CE1-CD2 3.68Å; F366-F402 HydrophobicContact CE1-CD2 3.68Å; F366-F402 AromaticContact CE1-CE2 3.57Å; F366-F402 HydrophobicContact CE1-CE2 3.57Å; F366-F402 HydrophobicContact CE2-CE2 4.4Å; F366-F402 HydrophobicContact CZ-CD2 4.24Å; F366-F402 AromaticContact CZ-CE2 3.66Å; F366-F402 HydrophobicContact CZ-CE2 3.66Å; V384-F402 HydrophobicContact CG1-CZ 4.23Å; T387-F402 HydrophobicContact CG2-CD1 4.4Å; T387-F402 HydrophobicContact CG2-CE1 3.67Å; T387-F402 HydrophobicContact CG2-CE2 4.07Å; T387-F402 HydrophobicContact CG2-CZ 3.48Å; T387-F402 VanDerWaalsContact CG2-CZ 3.48Å; F388-F402 AromaticContact CD1-CE1 3.77Å; F388-F402 HydrophobicContact CD1-CE1 3.77Å; F388-F402 AromaticContact CE1-CE1 3.65Å; F388-F402 HydrophobicContact CE1-CE1 3.65Å; F388-F402 HydrophobicContact CE1-CZ 4.29Å; L391-F402 HydrophobicContact CD2-CD1 4.17Å; T398-F402 VanDerWaalsContact O-CB 3.26Å; T398-F402 WeakPolarHBondContact O-CB 3.38Å; T398-F402 PolarHBondContact O-N 3.46Å; V399-F402 PolarHBondContact O-N 3.43Å; F402-K404 PolarHBondContact O-N 3.28Å; F402-A405 PolarHBondContact O-N 2.87Å; F402-V406 HydrophobicContact CD2-CG2 4.37Å; F402-V406 HydrophobicContact CE1-CG2 4.42Å; F402-V406 HydrophobicContact CE2-CG2 4.05Å; F402-V406 HydrophobicContact CZ-CG2 4.09Å; F402-V406 WeakPolarHBondContact O-CG2 3.41Å; F402-V406 PolarHBondContact O-N 3.33Å
403L83.1Confident68.9Low2 Ų248.9 Ų48.91%0.0128%0.275CS..Hα-helixtrans-64.8-38.1177.7-65.3176.9000112.1F388 L391 V399 Q407 L446 L471F388-L403 HydrophobicContact CE1-CD2 4.41Å; L391-L403 HydrophobicContact CD1-CD2 4.45Å; V399-L403 HydrophobicContact CG1-CD1 3.63Å; V399-L403 HydrophobicContact CG1-CG 4.16Å; V399-L403 WeakPolarHBondContact O-CB 3.31Å; V399-L403 VanDerWaalsContact O-CG 3.29Å; V399-L403 WeakPolarHBondContact O-CG 3.35Å; V399-L403 PolarHBondContact O-N 2.86Å; L403-Q407 WeakPolarHBondContact O-CB 3.44Å; L403-Q407 PolarHBondContact O-N 2.89Å; L403-L446 HydrophobicContact CD2-CD1 3.95Å; L403-L446 HydrophobicContact CD2-CD2 4.21Å; L403-L471 HydrophobicContact CB-CD2 3.66Å
404K79.1Confident66.2Low79 Ų7948.6 Ų48.634%0.34328%0.279SS..Hα-helixtrans-61.6-45.1171.9-76.5173.8-178.5179.20111.2Q400 G401 F402 Q407 V408Q400-K404 VanDerWaalsContact O-CB 3.25Å; Q400-K404 WeakPolarHBondContact O-CB 3.35Å; Q400-K404 WeakPolarHBondContact O-CG 3.28Å; Q400-K404 PolarHBondContact O-N 2.71Å; G401-K404 PolarHBondContact O-N 3.33Å; F402-K404 PolarHBondContact O-N 3.28Å; K404-Q407 PolarHBondContact O-N 2.94Å; K404-V408 WeakPolarHBondContact O-CB 3.42Å; K404-V408 WeakPolarHBondContact O-CG2 3.43Å; K404-V408 PolarHBondContact O-N 3.42Å
405A79.2Confident63.6Low3 Ų354 Ų543%0.02531%0.312CS..Hα-helixtrans-65.7-40.9-179.700000113.3F366 V370 G401 F402 Q407F366-A405 HydrophobicContact CD1-CB 3.61Å; F366-A405 HydrophobicContact CE1-CB 3.94Å; V370-A405 WeakPolarHBondContact CG1-O 3.46Å; G401-A405 VanDerWaalsContact O-CB 3.29Å; G401-A405 WeakPolarHBondContact O-CB 3.45Å; G401-A405 PolarHBondContact O-N 3.26Å; F402-A405 PolarHBondContact O-N 2.87Å; A405-Q407 PolarHBondContact O-N 2.9Å
406V74.2Confident60.9Low2 Ų260.6 Ų60.61%0.01234%0.339CS..Hα-helixtrans-65-26173.9175.70000112F366 V384 F402 L435 L436F366-V406 HydrophobicContact CE1-CG2 3.71Å; F366-V406 HydrophobicContact CZ-CG2 3.94Å; V384-V406 HydrophobicContact CG1-CG2 4.48Å; F402-V406 HydrophobicContact CD2-CG2 4.37Å; F402-V406 HydrophobicContact CE1-CG2 4.42Å; F402-V406 HydrophobicContact CE2-CG2 4.05Å; F402-V406 HydrophobicContact CZ-CG2 4.09Å; F402-V406 WeakPolarHBondContact O-CG2 3.41Å; F402-V406 PolarHBondContact O-N 3.33Å; V406-L435 HydrophobicContact CG1-CB 4.24Å; V406-L435 HydrophobicContact CG1-CD1 4.27Å; V406-L435 WeakPolarHBondContact O-CB 3.17Å; V406-L435 PolarHBondContact O-N 3Å; V406-L436 HydrophobicContact CG1-CD1 4.48Å; V406-L436 HydrophobicContact CG1-CD2 4.37Å; V406-L436 HydrophobicContact CG1-CG 4.09Å
407Q63.9Low58.3Low8 Ų865.7 Ų65.74%0.03737%0.366CS..Hα-helixtrans-109.6-8.8-167.5-163.81633.200115.2L403 K404 A405 P434 L436 L471 N475L403-Q407 WeakPolarHBondContact O-CB 3.44Å; L403-Q407 PolarHBondContact O-N 2.89Å; K404-Q407 PolarHBondContact O-N 2.94Å; A405-Q407 PolarHBondContact O-N 2.9Å; Q407-P434 HydrophobicContact CG-CB 4.25Å; Q407-P434 VanDerWaalsContact O-CB 3.25Å; Q407-P434 WeakPolarHBondContact O-CB 3.34Å; Q407-P434 VanDerWaalsContact O-CG 3.26Å; Q407-P434 WeakPolarHBondContact O-CG 3.32Å; Q407-L436 HydrophobicContact CB-CD1 4.36Å; Q407-L436 HydrophobicContact CG-CD1 4.25Å; Q407-L471 PolarHBondContact NE2-O 3.18Å; Q407-L471 VanDerWaalsContact NE2-O 3.08Å; Q407-N475 PolarHBondContact NE2-ND2 3.49Å; Q407-N475 VanDerWaalsContact NE2-ND2 3.1Å
408V53.7Low55.8Low62 Ų6267.3 Ų67.338%0.37638%0.375SS..  trans-127.2108.9-176.3-179.10000110.6K404 R410K404-V408 WeakPolarHBondContact O-CB 3.42Å; K404-V408 WeakPolarHBondContact O-CG2 3.43Å; K404-V408 PolarHBondContact O-N 3.42Å; V408-R410 PolarHBondContact O-N 2.85Å
409P45.5Very low53.1Low36 Ų3676 Ų7623%0.23441%0.411CS..  trans-65.5116.5151.625.1-22.6000106.7H411 F432P409-H411 PolarHBondContact O-N 3.13Å; P409-F432 HydrophobicContact CB-CD1 4.12Å; P409-F432 HydrophobicContact CG-CD1 4.37Å; P409-F432 WeakPolarHBondContact CG-O 3.39Å
410R40.1Very low50.5Low112 Ų11282.1 Ų82.142%0.42345%0.449SS..  trans-54128.9179.3-87.6176.9162140.2-0.7108.8D364 D368 V408 G412D364-R410 IonicContact OD1-CZ 3.55Å; D364-R410 IonicContact OD1-NH1 3.92Å; D364-R410 IonicContact OD1-NH2 2.65Å; D364-R410 PolarHBondContact OD1-NH2 3.22Å; D368-R410 IonicContact OD1-CZ 3.41Å; D368-R410 IonicContact OD1-NH1 2.98Å; D368-R410 PolarHBondContact OD1-NH1 3.13Å; V408-R410 PolarHBondContact O-N 2.85Å; R410-G412 PolarHBondContact O-N 3.27Å
411H35.2Very low48.1Very low191 Ų19185.6 Ų85.688%0.88448%0.477SS*.  trans-59.6113.9160.2-98.5-51000106.7P409 S413P409-H411 PolarHBondContact O-N 3.13Å; H411-S413 PolarHBondContact O-N 3.13Å
412G30.9Very low45.6Very low58 Ų5888.8 Ų88.860%0.59850%0.502SS*.  trans-65.2125.8-173.400000111.6R410 H414R410-G412 PolarHBondContact O-N 3.27Å; G412-H414 PolarHBondContact O-N 3.13Å
413S27.6Very low42.9Very low88 Ų8894.8 Ų94.862%0.61554%0.538SS*.SBendtrans-8517.6167.957.10000113H411H411-S413 PolarHBondContact O-N 3.13Å
414H28.1Very low40.2Very low150 Ų150101.9 Ų101.969%0.69457%0.569SS**  trans-112.8101.7168.9-72-69.7000108.4G412G412-H414 PolarHBondContact O-N 3.13Å
415V30.3Very low37.9Very low118 Ų118103.5 Ų103.572%0.71559%0.588SS**  trans-93.5-11.7-177.4173.40000112.3
416E26.9Very low35.5Very low185 Ų185112.1 Ų112.186%0.86463%0.625SS**G310 helixtrans-83.7-28.4-167.7-61.3-169.4137.400115A418E416-A418 PolarHBondContact O-N 3.4Å
417D27Very low33.7Very low144 Ų144116.9 Ų116.977%0.7765%0.649SS**G310 helixtrans-79.74.4-179.3-71.1-31.6000114.6K419D417-K419 PolarHBondContact O-N 2.98Å
418A27.9Very low32Very low85 Ų85119.4 Ų119.470%0.70267%0.667SS**G310 helixtrans-68.7-4.5-173.200000115.4E416E416-A418 PolarHBondContact O-N 3.4Å
419K27.2Very low31Very low196 Ų196121.1 Ų121.185%0.85268%0.681SS**G310 helixtrans-83-14-174.5-74.9-177.9178.2172.80115.6D417D417-K419 PolarHBondContact O-N 2.98Å
420V31.4Very low30.5Very low131 Ų131126.5 Ų126.579%0.79470%0.701SS**SBendtrans-93.3-21.2-173-176.60000113.9A422V420-A422 PolarHBondContact O-N 3.46Å
421C30.5Very low30.2Very low123 Ų123124.8 Ų124.883%0.83170%0.7SS**  trans-98.846.6-175.3-68.90000115V423C421-V423 VanDerWaalsContact C-N 3.26Å; C421-V423 PolarHBondContact O-N 2.89Å
422A28.5Very low30.4Very low90 Ų90121.7 Ų121.774%0.74468%0.684SS**  trans-76.5-2.3176.900000115V420V420-A422 PolarHBondContact O-N 3.46Å
423V30.9Very low31.1Very low127 Ų127122 Ų12277%0.7767%0.67SS**SBendtrans-122.869.3-169.5-165.90000112.8C421C421-V423 VanDerWaalsContact C-N 3.26Å; C421-V423 PolarHBondContact O-N 2.89Å
424K27.2Very low32.5Very low151 Ų151118.9 Ų118.966%0.65765%0.648SS**  trans153.689.9149.2-85.5163-174.4176.10111.6F426 I427K424-F426 VanDerWaalsContact C-N 3.29Å; K424-F426 PolarHBondContact O-N 3.12Å; K424-I427 HydrophobicContact CD-CD1 4.24Å
425P30.6Very low34.1Very low114 Ų114112 Ų11274%0.7462%0.616SS**Hα-helixtrans-63.4-27.1-177.6-24.234.8000115.3
426F28.5Very low35.7Very low184 Ų184106.5 Ų106.581%0.80758%0.582SS**Hα-helixtrans-76.5-22.7-170.3-103.2-92.5000115.6K424K424-F426 VanDerWaalsContact C-N 3.29Å; K424-F426 PolarHBondContact O-N 3.12Å
427I35.3Very low37.4Very low102 Ų102101.4 Ų101.452%0.52356%0.558SS.*Hα-helixtrans-87.7-34.6-177.7-59.3177.8000111K424 C429 F430 L431K424-I427 HydrophobicContact CD-CD1 4.24Å; I427-C429 VanDerWaalsContact C-N 3.34Å; I427-C429 PolarHBondContact O-N 3.08Å; I427-F430 PolarHBondContact O-N 3.25Å; I427-L431 HydrophobicContact CG2-CD1 3.99Å; I427-L431 PolarHBondContact O-N 2.64Å
428S29.5Very low39.2Very low60 Ų6097.4 Ų97.442%0.4254%0.538SS..Hα-helixtrans-56.1-46177.4-177.30000112.1F430 L431 F432S428-F430 PolarHBondContact O-N 3.11Å; S428-L431 PolarHBondContact O-N 3.19Å; S428-L431 VanDerWaalsContact O-N 3.09Å; S428-F432 WeakPolarHBondContact O-CD2 3.25Å; S428-F432 PolarHBondContact O-N 3.18Å
429C32.4Very low41.2Very low98 Ų9894.1 Ų94.166%0.66251%0.51SS*.Hα-helixtrans-66.2-21.6-176.5-153.20000114.3I427I427-C429 VanDerWaalsContact C-N 3.34Å; I427-C429 PolarHBondContact O-N 3.08Å
430F34.9Very low43.4Very low149 Ų14989.1 Ų89.165%0.65449%0.491SS*.Hα-helixtrans-83.1-33.1172.7-102-86.5000112.9I427 S428 F432I427-F430 PolarHBondContact O-N 3.25Å; S428-F430 PolarHBondContact O-N 3.11Å; F430-F432 VanDerWaalsContact C-N 3.29Å; F430-F432 PolarHBondContact O-N 3.09Å
431L33.4Very low45.5Very low76 Ų7686.5 Ų86.540%0.39848%0.478SS..Hα-helixtrans-69.1-22.7-179.8-76.7162.7000113.7P374 M375 I427 S428P374-L431 HydrophobicContact CG-CD2 4.1Å; M375-L431 HydrophobicContact CG-CD2 4.24Å; I427-L431 HydrophobicContact CG2-CD1 3.99Å; I427-L431 PolarHBondContact O-N 2.64Å; S428-L431 PolarHBondContact O-N 3.19Å; S428-L431 VanDerWaalsContact O-N 3.09Å
432F39Very low47.7Very low127 Ų12780.8 Ų80.856%0.55744%0.439SS*.THydrogen-bonded Turntrans-89.412.4-179.2-81-77.2000115.2P409 S428 F430P409-F432 HydrophobicContact CB-CD1 4.12Å; P409-F432 HydrophobicContact CG-CD1 4.37Å; P409-F432 WeakPolarHBondContact CG-O 3.39Å; S428-F432 WeakPolarHBondContact O-CD2 3.25Å; S428-F432 PolarHBondContact O-N 3.18Å; F430-F432 VanDerWaalsContact C-N 3.29Å; F430-F432 PolarHBondContact O-N 3.09Å
433Q45.9Very low49.9Very low64 Ų6477.6 Ų77.630%0.29941%0.409SS..SBendtrans-89.4134.8175.9-63.1-165.71100112.2V438Q433-V438 HydrophobicContact CB-CG2 3.93Å
434P57.5Low52.2Low23 Ų2375.4 Ų75.415%0.14939%0.392CS..  trans-50.1139.2171.2-3035.7000112.8Q407 L436 K437 V438Q407-P434 HydrophobicContact CG-CB 4.25Å; Q407-P434 VanDerWaalsContact O-CB 3.25Å; Q407-P434 WeakPolarHBondContact O-CB 3.34Å; Q407-P434 VanDerWaalsContact O-CG 3.26Å; Q407-P434 WeakPolarHBondContact O-CG 3.32Å; P434-L436 PolarHBondContact O-N 2.92Å; P434-L436 VanDerWaalsContact O-N 3.1Å; P434-K437 HydrophobicContact CB-CG 4.29Å; P434-K437 HydrophobicContact CG-CD 4.37Å; P434-K437 HydrophobicContact CG-CG 4.5Å; P434-K437 WeakPolarHBondContact O-CA 3.23Å; P434-K437 WeakPolarHBondContact O-CB 3.21Å; P434-K437 PolarHBondContact O-N 3.47Å; P434-V438 PolarHBondContact O-N 3.02Å
435L61.5Low54.9Low6 Ų670.1 Ų70.13%0.03138%0.375CS..Hα-helixtrans-54.8-36.6-178.3-66.6173.5000112.8V370 P374 L377 L378 V406 K437 V438 S439V370-L435 HydrophobicContact CG1-CD1 3.81Å; V370-L435 HydrophobicContact CG1-CG 4.29Å; V370-L435 HydrophobicContact CG2-CD1 4.44Å; P374-L435 HydrophobicContact CB-CD2 3.78Å; P374-L435 WeakPolarHBondContact O-CD2 3.47Å; L377-L435 HydrophobicContact CB-CD1 4.17Å; L377-L435 HydrophobicContact CB-CD2 4.46Å; L377-L435 HydrophobicContact CD1-CD1 4.38Å; L378-L435 HydrophobicContact CD2-CD2 4.02Å; L378-L435 HydrophobicContact CG-CD2 4.34Å; V406-L435 HydrophobicContact CG1-CB 4.24Å; V406-L435 HydrophobicContact CG1-CD1 4.27Å; V406-L435 WeakPolarHBondContact O-CB 3.17Å; V406-L435 PolarHBondContact O-N 3Å; L435-K437 PolarHBondContact O-N 3.28Å; L435-V438 PolarHBondContact O-N 2.67Å; L435-S439 PolarHBondContact O-N 3.42Å
436L64.2Low57.5Low1 Ų164.8 Ų64.81%0.00534%0.34CS..Hα-helixtrans-68.3-13.4176.3-63.5173.4000114.6V406 Q407 P434 L446 L472V406-L436 HydrophobicContact CG1-CD1 4.48Å; V406-L436 HydrophobicContact CG1-CD2 4.37Å; V406-L436 HydrophobicContact CG1-CG 4.09Å; Q407-L436 HydrophobicContact CB-CD1 4.36Å; Q407-L436 HydrophobicContact CG-CD1 4.25Å; P434-L436 PolarHBondContact O-N 2.92Å; P434-L436 VanDerWaalsContact O-N 3.1Å; L436-L446 HydrophobicContact CD1-CD2 3.72Å; L436-L446 HydrophobicContact CD2-CD2 3.83Å; L436-L446 HydrophobicContact CG-CD2 4.46Å; L436-L472 HydrophobicContact CD1-CD2 4.31Å
437K62.7Low60Low79 Ų7956.3 Ų56.334%0.34330%0.303SS..Hα-helixtrans-90-25.7168.5-67-167.3-179.4-175.70112.3P434 L435 M440 N475 F476P434-K437 HydrophobicContact CB-CG 4.29Å; P434-K437 HydrophobicContact CG-CD 4.37Å; P434-K437 HydrophobicContact CG-CG 4.5Å; P434-K437 WeakPolarHBondContact O-CA 3.23Å; P434-K437 WeakPolarHBondContact O-CB 3.21Å; P434-K437 PolarHBondContact O-N 3.47Å; L435-K437 PolarHBondContact O-N 3.28Å; K437-M440 WeakPolarHBondContact O-CE 3.35Å; K437-N475 WeakPolarHBondContact CE-O 3.37Å; K437-N475 PolarHBondContact NZ-O 3.04Å; K437-F476 HydrophobicContact CG-CE1 4.4Å; K437-F476 HydrophobicContact CG-CZ 4.5Å
438V64.9Low62.4Low60 Ų6056.3 Ų56.336%0.36430%0.304SS..Hα-helixtrans-85.9-40.5-177.8-172.90000111.9L378 Q433 P434 L435L378-V438 HydrophobicContact CD1-CB 4.43Å; L378-V438 HydrophobicContact CD1-CG1 3.64Å; Q433-V438 HydrophobicContact CB-CG2 3.93Å; P434-V438 PolarHBondContact O-N 3.02Å; L435-V438 PolarHBondContact O-N 2.67Å
439S69.5Low65.2Low16 Ų1653.9 Ų53.911%0.11229%0.286CS..  trans-110.1115.4179.4175.80000112.6L435 S441 L442 K443L435-S439 PolarHBondContact O-N 3.42Å; S439-S441 PolarHBondContact OG-OG 3.07Å; S439-S441 VanDerWaalsContact OG-OG 3.13Å; S439-L442 PolarHBondContact OG-N 3.4Å; S439-K443 PolarHBondContact O-N 3.23Å
440M72.3Confident67.8Low91 Ų9149.3 Ų49.345%0.44826%0.255SS..Hα-helixtrans-72.5-34175.4-64.7-59.210000112.4K437 K443 D444K437-M440 WeakPolarHBondContact O-CE 3.35Å; M440-K443 HydrophobicContact CE-CD 4.22Å; M440-K443 WeakPolarHBondContact O-CB 3.43Å; M440-K443 PolarHBondContact O-N 2.96Å; M440-K443 HydrophobicContact SD-CD 3.96Å; M440-D444 WeakPolarHBondContact O-CB 3.36Å; M440-D444 VanDerWaalsContact O-CG 3.25Å; M440-D444 PolarHBondContact O-N 3.47Å
441S76.8Confident70.3Confident75 Ų7546 Ų4652%0.52424%0.238SC..Hα-helixtrans-65-43.1177.953.40000112.3S439 K443 D444 S445S439-S441 PolarHBondContact OG-OG 3.07Å; S439-S441 VanDerWaalsContact OG-OG 3.13Å; S441-K443 VanDerWaalsContact C-N 3.33Å; S441-K443 PolarHBondContact O-N 2.93Å; S441-D444 PolarHBondContact O-N 3.21Å; S441-S445 WeakPolarHBondContact O-CB 3.44Å; S441-S445 PolarHBondContact O-N 3.47Å; S441-S445 PolarHBondContact O-OG 3.27Å
442L76.3Confident72.9Confident3 Ų349.1 Ų49.12%0.01625%0.249CC..Hα-helixtrans-60.7-42.6173.4-84.6168.9000111.8L378 V384 T385 F388 S439 L446L378-L442 HydrophobicContact CD2-CD1 4.4Å; V384-L442 HydrophobicContact CB-CD2 4.09Å; V384-L442 HydrophobicContact CG1-CD2 3.99Å; T385-L442 WeakPolarHBondContact OG1-CD2 3.36Å; F388-L442 HydrophobicContact CE2-CD2 3.82Å; F388-L442 HydrophobicContact CZ-CD2 4.44Å; S439-L442 PolarHBondContact OG-N 3.4Å; L442-L446 WeakPolarHBondContact O-CB 3.4Å; L442-L446 PolarHBondContact O-N 3.4Å
443K74.8Confident75.2Confident24 Ų2443.3 Ų43.310%0.10422%0.224CC..Hα-helixtrans-61.3-50.6177.1175.5-161.1166.8-159.60111.1S439 M440 S441 L446 I447 F476S439-K443 PolarHBondContact O-N 3.23Å; M440-K443 HydrophobicContact CE-CD 4.22Å; M440-K443 WeakPolarHBondContact O-CB 3.43Å; M440-K443 PolarHBondContact O-N 2.96Å; M440-K443 HydrophobicContact SD-CD 3.96Å; S441-K443 VanDerWaalsContact C-N 3.33Å; S441-K443 PolarHBondContact O-N 2.93Å; K443-L446 PolarHBondContact O-N 3.34Å; K443-I447 HydrophobicContact CD-CD1 4.37Å; K443-I447 HydrophobicContact CG-CD1 3.74Å; K443-I447 WeakPolarHBondContact O-CD1 3.25Å; K443-I447 VanDerWaalsContact O-CG1 3.23Å; K443-I447 WeakPolarHBondContact O-CG1 3.38Å; K443-I447 PolarHBondContact O-N 3.44Å; K443-F476 HydrophobicContact CD-CE1 4.29Å; K443-F476 HydrophobicContact CD-CZ 4.03Å; K443-F476 HydrophobicContact CG-CZ 4.32Å
444D80Confident77.1Confident80 Ų8040.6 Ų40.643%0.42821%0.211SC..Hα-helixtrans-67.8-39.7-176-65.7-19.4000111.6M440 S441 I447 L448M440-D444 WeakPolarHBondContact O-CB 3.36Å; M440-D444 VanDerWaalsContact O-CG 3.25Å; M440-D444 PolarHBondContact O-N 3.47Å; S441-D444 PolarHBondContact O-N 3.21Å; D444-I447 PolarHBondContact O-N 3.49Å; D444-L448 WeakPolarHBondContact O-CG 3.37Å; D444-L448 PolarHBondContact O-N 3.39Å
445S83.1Confident78.5Confident40 Ų4046.4 Ų46.428%0.2823%0.234SC..Hα-helixtrans-60.2-46.8171.4-68.80000112.4S441 I447 L448 V449S441-S445 WeakPolarHBondContact O-CB 3.44Å; S441-S445 PolarHBondContact O-N 3.47Å; S441-S445 PolarHBondContact O-OG 3.27Å; S445-I447 VanDerWaalsContact C-N 3.34Å; S445-I447 PolarHBondContact O-N 3.18Å; S445-L448 PolarHBondContact O-N 3.1Å; S445-V449 WeakPolarHBondContact O-CG2 3.44Å; S445-V449 PolarHBondContact O-N 3.01Å
446L84.4Confident79.7Confident2 Ų247.4 Ų47.41%0.0124%0.242CC..Hα-helixtrans-59.5-44175.1176.561000111.5F388 L391 L403 L436 L442 K443 L448 V449 L450 L472F388-L446 HydrophobicContact CD1-CD1 3.89Å; F388-L446 HydrophobicContact CD2-CB 3.98Å; F388-L446 HydrophobicContact CD2-CD1 4.43Å; F388-L446 HydrophobicContact CE1-CD1 4.04Å; F388-L446 HydrophobicContact CE2-CB 3.84Å; F388-L446 HydrophobicContact CG-CB 4.49Å; F388-L446 HydrophobicContact CG-CD1 4.12Å; F388-L446 HydrophobicContact CZ-CB 4.23Å; F388-L446 HydrophobicContact CZ-CD1 4.38Å; F388-L446 HydrophobicContact CZ-CD2 4.37Å; L391-L446 HydrophobicContact CD1-CD1 3.79Å; L403-L446 HydrophobicContact CD2-CD1 3.95Å; L403-L446 HydrophobicContact CD2-CD2 4.21Å; L436-L446 HydrophobicContact CD1-CD2 3.72Å; L436-L446 HydrophobicContact CD2-CD2 3.83Å; L436-L446 HydrophobicContact CG-CD2 4.46Å; L442-L446 WeakPolarHBondContact O-CB 3.4Å; L442-L446 PolarHBondContact O-N 3.4Å; K443-L446 PolarHBondContact O-N 3.34Å; L446-L448 PolarHBondContact O-N 3.48Å; L446-V449 PolarHBondContact O-N 3.33Å; L446-L450 HydrophobicContact CD1-CD1 3.91Å; L446-L450 HydrophobicContact CD1-CD2 4.4Å; L446-L450 HydrophobicContact CD1-CG 3.92Å; L446-L450 HydrophobicContact CG-CD1 3.83Å; L446-L450 HydrophobicContact CG-CG 4.28Å; L446-L450 WeakPolarHBondContact O-CB 3.24Å; L446-L450 VanDerWaalsContact O-CG 3.24Å; L446-L450 WeakPolarHBondContact O-CG 3.45Å; L446-L450 PolarHBondContact O-N 2.87Å; L446-L472 HydrophobicContact CD2-CD2 4.41Å
447I82.3Confident80.8Confident7 Ų752.7 Ų52.74%0.03628%0.279CS..Hα-helixtrans-60.8-45.2177.6-69.2158.2000111K443 D444 S445 V449 L450 R451 L472 F512K443-I447 HydrophobicContact CD-CD1 4.37Å; K443-I447 HydrophobicContact CG-CD1 3.74Å; K443-I447 WeakPolarHBondContact O-CD1 3.25Å; K443-I447 VanDerWaalsContact O-CG1 3.23Å; K443-I447 WeakPolarHBondContact O-CG1 3.38Å; K443-I447 PolarHBondContact O-N 3.44Å; D444-I447 PolarHBondContact O-N 3.49Å; S445-I447 VanDerWaalsContact C-N 3.34Å; S445-I447 PolarHBondContact O-N 3.18Å; I447-V449 VanDerWaalsContact C-N 3.35Å; I447-V449 PolarHBondContact O-N 3.43Å; I447-L450 PolarHBondContact O-N 3.34Å; I447-R451 HydrophobicContact CG2-CG 4.35Å; I447-R451 VanDerWaalsContact CG2-NE 3.33Å; I447-R451 WeakPolarHBondContact O-CB 3.43Å; I447-R451 VanDerWaalsContact O-CG 3.28Å; I447-R451 WeakPolarHBondContact O-CG 3.23Å; I447-R451 PolarHBondContact O-N 3.33Å; I447-L472 HydrophobicContact CG1-CD1 4.07Å; I447-F512 HydrophobicContact CD1-CE1 4.37Å; I447-F512 HydrophobicContact CD1-CE2 3.66Å; I447-F512 HydrophobicContact CD1-CZ 3.32Å; I447-F512 HydrophobicContact CG1-CE2 4.27Å; I447-F512 HydrophobicContact CG1-CZ 3.86Å; I447-F512 HydrophobicContact CG2-CE2 4.16Å
448L85.5Confident82Confident102 Ų10253.3 Ų53.353%0.53428%0.283SS..Hα-helixtrans-61.9-42.4178.3-73.2169.9000111.8D444 S445 L446 R451 K452D444-L448 WeakPolarHBondContact O-CG 3.37Å; D444-L448 PolarHBondContact O-N 3.39Å; S445-L448 PolarHBondContact O-N 3.1Å; L446-L448 PolarHBondContact O-N 3.48Å; L448-R451 PolarHBondContact O-N 3Å; L448-K452 WeakPolarHBondContact O-CG 3.4Å; L448-K452 PolarHBondContact O-N 3.44Å; L448-K452 VanDerWaalsContact O-N 3.11Å
449V88Confident83Confident9 Ų952.5 Ų52.56%0.05528%0.276CS..Hα-helixtrans-62.4-50174.1168.80000111.1F388 D389 L391 S445 L446 I447 R451 K452 A453F388-V449 HydrophobicContact CB-CG1 4.5Å; F388-V449 HydrophobicContact CB-CG2 4.13Å; F388-V449 VanDerWaalsContact O-CG1 3.25Å; F388-V449 WeakPolarHBondContact O-CG1 3.36Å; D389-V449 WeakPolarHBondContact OD1-CG2 3.41Å; L391-V449 HydrophobicContact CB-CG1 4.44Å; L391-V449 HydrophobicContact CD1-CG1 4.18Å; S445-V449 WeakPolarHBondContact O-CG2 3.44Å; S445-V449 PolarHBondContact O-N 3.01Å; L446-V449 PolarHBondContact O-N 3.33Å; I447-V449 VanDerWaalsContact C-N 3.35Å; I447-V449 PolarHBondContact O-N 3.43Å; V449-R451 VanDerWaalsContact C-N 3.31Å; V449-R451 PolarHBondContact O-N 3.49Å; V449-K452 WeakPolarHBondContact O-CB 3.48Å; V449-K452 PolarHBondContact O-N 3.3Å; V449-K452 VanDerWaalsContact O-N 3.15Å; V449-A453 WeakPolarHBondContact O-CB 3.07Å; V449-A453 PolarHBondContact O-N 3.47Å
450L87.7Confident83.7Confident1 Ų155.3 Ų55.31%0.00529%0.29CS..Hα-helixtrans-61.9-38.6179.8-67.2171.5000111.5L446 I447 A453 M454 F469 L472L446-L450 HydrophobicContact CD1-CD1 3.91Å; L446-L450 HydrophobicContact CD1-CD2 4.4Å; L446-L450 HydrophobicContact CD1-CG 3.92Å; L446-L450 HydrophobicContact CG-CD1 3.83Å; L446-L450 HydrophobicContact CG-CG 4.28Å; L446-L450 WeakPolarHBondContact O-CB 3.24Å; L446-L450 VanDerWaalsContact O-CG 3.24Å; L446-L450 WeakPolarHBondContact O-CG 3.45Å; L446-L450 PolarHBondContact O-N 2.87Å; I447-L450 PolarHBondContact O-N 3.34Å; L450-A453 PolarHBondContact O-N 3.28Å; L450-M454 WeakPolarHBondContact O-CG 3.42Å; L450-M454 PolarHBondContact O-N 3.35Å; L450-M454 VanDerWaalsContact O-N 3.13Å; L450-F469 HydrophobicContact CB-CD2 4.18Å; L450-F469 HydrophobicContact CB-CE1 3.99Å; L450-F469 HydrophobicContact CB-CE2 3.62Å; L450-F469 HydrophobicContact CB-CZ 3.51Å; L450-F469 HydrophobicContact CD1-CD1 4.44Å; L450-F469 HydrophobicContact CD1-CE1 4.5Å; L450-F469 WeakPolarHBondContact O-CE2 3.25Å; L450-L472 HydrophobicContact CD1-CD1 3.79Å
451R86.8Confident84.4Confident79 Ų7951 Ų5130%0.29827%0.269SS..Hα-helixtrans-59.8-45.6173.5-75179.1-167.6-141.9-3.7111.5I447 L448 V449 F455 F469 E515I447-R451 HydrophobicContact CG2-CG 4.35Å; I447-R451 VanDerWaalsContact CG2-NE 3.33Å; I447-R451 WeakPolarHBondContact O-CB 3.43Å; I447-R451 VanDerWaalsContact O-CG 3.28Å; I447-R451 WeakPolarHBondContact O-CG 3.23Å; I447-R451 PolarHBondContact O-N 3.33Å; L448-R451 PolarHBondContact O-N 3Å; V449-R451 VanDerWaalsContact C-N 3.31Å; V449-R451 PolarHBondContact O-N 3.49Å; R451-F455 WeakPolarHBondContact O-CD2 3.33Å; R451-F455 WeakPolarHBondContact O-CE2 3.33Å; R451-F469 HydrophobicContact CG-CZ 3.84Å; R451-E515 IonicContact CZ-OE1 3.46Å; R451-E515 VanDerWaalsContact CZ-OE1 3.24Å; R451-E515 IonicContact CZ-OE2 3.43Å; R451-E515 IonicContact NH1-OE1 3.91Å; R451-E515 PolarHBondContact NH1-OE1 3.23Å; R451-E515 IonicContact NH1-OE2 3.18Å; R451-E515 IonicContact NH2-OE1 2.79Å; R451-E515 PolarHBondContact NH2-OE1 3.28Å; R451-E515 IonicContact NH2-OE2 3.84Å; R451-E515 PolarHBondContact NH2-OE2 3.17Å
452K87.6Confident85Confident143 Ų14349.1 Ų49.162%0.62225%0.25SS*.Hα-helixtrans-63.3-43.5174.6-67.2167.8-174.81750111.4L448 V449 M454 F455L448-K452 WeakPolarHBondContact O-CG 3.4Å; L448-K452 PolarHBondContact O-N 3.44Å; L448-K452 VanDerWaalsContact O-N 3.11Å; V449-K452 WeakPolarHBondContact O-CB 3.48Å; V449-K452 PolarHBondContact O-N 3.3Å; V449-K452 VanDerWaalsContact O-N 3.15Å; K452-M454 VanDerWaalsContact C-N 3.28Å; K452-M454 PolarHBondContact O-N 2.91Å; K452-F455 PolarHBondContact O-N 2.93Å
453A87.6Confident85.6Confident4 Ų450.1 Ų50.13%0.03326%0.255CS..Hα-helixtrans-61.4-31.1-17700000113.6T392 V449 L450 F455 S456 R462 A465T392-A453 HydrophobicContact CG2-CB 3.46Å; T392-A453 VanDerWaalsContact CG2-CB 3.46Å; V449-A453 WeakPolarHBondContact O-CB 3.07Å; V449-A453 PolarHBondContact O-N 3.47Å; L450-A453 PolarHBondContact O-N 3.28Å; A453-F455 PolarHBondContact O-N 3.49Å; A453-S456 VanDerWaalsContact O-CB 3.25Å; A453-S456 WeakPolarHBondContact O-CB 3.41Å; A453-S456 PolarHBondContact O-N 2.98Å; A453-R462 WeakPolarHBondContact O-CG 3.2Å; A453-A465 HydrophobicContact CB-CB 3.61Å
454M85.4Confident86.2Confident8 Ų849.1 Ų49.14%0.03925%0.251CS..THydrogen-bonded Turntrans-58.9-25.4172.6-69.4-74.7-78.100113.8L450 K452 A465 V466 F469 S519 L520 C523L450-M454 WeakPolarHBondContact O-CG 3.42Å; L450-M454 PolarHBondContact O-N 3.35Å; L450-M454 VanDerWaalsContact O-N 3.13Å; K452-M454 VanDerWaalsContact C-N 3.28Å; K452-M454 PolarHBondContact O-N 2.91Å; M454-A465 HydrophobicContact CG-CB 3.81Å; M454-A465 HydrophobicContact SD-CB 3.73Å; M454-V466 HydrophobicContact SD-CG2 4.06Å; M454-F469 HydrophobicContact CG-CD2 4.1Å; M454-F469 HydrophobicContact CG-CE2 3.6Å; M454-F469 HydrophobicContact SD-CD2 4.03Å; M454-F469 HydrophobicContact SD-CE2 4.15Å; M454-S519 VanDerWaalsContact CE-O 3.25Å; M454-S519 WeakPolarHBondContact CE-O 3.34Å; M454-L520 HydrophobicContact CE-CD2 4.3Å; M454-C523 WeakPolarHBondContact CE-SG 3.38Å
455F87.6Confident86.6Confident144 Ų14445.3 Ų45.363%0.63223%0.231SC*.THydrogen-bonded Turntrans-101.88.6177.9-55.7-82.4000112.9R451 K452 A453R451-F455 WeakPolarHBondContact O-CD2 3.33Å; R451-F455 WeakPolarHBondContact O-CE2 3.33Å; K452-F455 PolarHBondContact O-N 2.93Å; A453-F455 PolarHBondContact O-N 3.49Å
456S87.1Confident87Confident27 Ų2743.4 Ų43.419%0.18922%0.217CC..  trans-62.7139.1175-176.70000111A453 Q458 R462A453-S456 VanDerWaalsContact O-CB 3.25Å; A453-S456 WeakPolarHBondContact O-CB 3.41Å; A453-S456 PolarHBondContact O-N 2.98Å; S456-Q458 PolarHBondContact O-N 3.34Å; S456-Q458 PolarHBondContact OG-N 2.95Å; S456-R462 WeakPolarHBondContact O-CD 3.28Å; S456-R462 WeakPolarHBondContact O-CG 3.23Å; S456-R462 PolarHBondContact O-NE 2.93Å
457S86.8Confident87Confident113 Ų11344.1 Ų44.179%0.7922%0.222SC*.SBendtrans-64.6-28171.3540000112
458Q87.3Confident87.2Confident91 Ų9144 Ų4443%0.42522%0.221SC..SBendtrans-77133.7180-63-178.3-10.600111.2S456 G461 R462S456-Q458 PolarHBondContact O-N 3.34Å; S456-Q458 PolarHBondContact OG-N 2.95Å; Q458-G461 PolarHBondContact O-N 3.02Å; Q458-R462 PolarHBondContact O-N 3.08Å; Q458-R462 PolarHBondContact O-NE 3.41Å
459L87Confident87.3Confident43 Ų4339.2 Ų39.223%0.22520%0.196CC..Hα-helixtrans-65.5-39.8179.1159.8148.5000111.8R462 K463 Q527L459-R462 PolarHBondContact O-N 3.46Å; L459-K463 HydrophobicContact CD2-CD 3.9Å; L459-K463 HydrophobicContact CG-CD 4.4Å; L459-K463 WeakPolarHBondContact O-CG 3.28Å; L459-K463 PolarHBondContact O-N 2.72Å; L459-Q527 HydrophobicContact CD1-CB 4.22Å
460D83.8Confident87.2Confident76 Ų7639.1 Ų39.141%0.40620%0.196SC..Hα-helixtrans-69.6-33177.8-67.2-49000113R462 K463 S464D460-R462 VanDerWaalsContact C-N 3.32Å; D460-R462 PolarHBondContact O-N 3.05Å; D460-K463 PolarHBondContact O-N 3.4Å; D460-S464 VanDerWaalsContact O-CB 3.3Å; D460-S464 WeakPolarHBondContact O-CB 3.19Å; D460-S464 PolarHBondContact O-N 3.36Å; D460-S464 PolarHBondContact O-OG 2.92Å
461G85.9Confident87Confident0 Ų040.3 Ų40.30%020%0.202CC..Hα-helixtrans-61.4-39.3171.200000112.5T392 Q458 A465T392-G461 WeakPolarHBondContact O-CA 3.38Å; Q458-G461 PolarHBondContact O-N 3.02Å; G461-A465 PolarHBondContact O-N 3.23Å
462R89.6Confident86.7Confident35 Ų3536.6 Ų36.613%0.13219%0.188CC..Hα-helixtrans-73.3-38.1175.9-69.7-179.2-73.9142.8-6.6112.8A453 S456 Q458 L459 D460 S464 A465 V466A453-R462 WeakPolarHBondContact O-CG 3.2Å; S456-R462 WeakPolarHBondContact O-CD 3.28Å; S456-R462 WeakPolarHBondContact O-CG 3.23Å; S456-R462 PolarHBondContact O-NE 2.93Å; Q458-R462 PolarHBondContact O-N 3.08Å; Q458-R462 PolarHBondContact O-NE 3.41Å; L459-R462 PolarHBondContact O-N 3.46Å; D460-R462 VanDerWaalsContact C-N 3.32Å; D460-R462 PolarHBondContact O-N 3.05Å; R462-S464 VanDerWaalsContact C-N 3.35Å; R462-A465 WeakPolarHBondContact O-CB 3.43Å; R462-A465 PolarHBondContact O-N 3.34Å; R462-V466 WeakPolarHBondContact O-CG2 3.49Å; R462-V466 PolarHBondContact O-N 3.01Å
463K88.8Confident86.5Confident25 Ų2529.9 Ų29.911%0.10916%0.159CC..Hα-helixtrans-59.3-44.3169.8-74.5177.5178.1-1790112L396 L459 D460 A465 V466 T467 D529 V530 M533L396-K463 HydrophobicContact CD1-CB 4.11Å; L396-K463 HydrophobicContact CD2-CD 4.35Å; L459-K463 HydrophobicContact CD2-CD 3.9Å; L459-K463 HydrophobicContact CG-CD 4.4Å; L459-K463 WeakPolarHBondContact O-CG 3.28Å; L459-K463 PolarHBondContact O-N 2.72Å; D460-K463 PolarHBondContact O-N 3.4Å; K463-A465 VanDerWaalsContact C-N 3.32Å; K463-A465 PolarHBondContact O-N 2.94Å; K463-V466 PolarHBondContact O-N 3.15Å; K463-T467 WeakPolarHBondContact O-CB 3.41Å; K463-T467 PolarHBondContact O-N 2.98Å; K463-T467 PolarHBondContact O-OG1 3.11Å; K463-T467 VanDerWaalsContact O-OG1 3.06Å; K463-D529 WeakPolarHBondContact CE-OD2 3.27Å; K463-D529 IonicContact NZ-OD2 3.53Å; K463-D529 PolarHBondContact NZ-OD2 2.86Å; K463-V530 HydrophobicContact CG-CG2 4.27Å; K463-M533 HydrophobicContact CB-CE 3.77Å; K463-M533 HydrophobicContact CB-SD 4.02Å; K463-M533 HydrophobicContact CD-CE 4.3Å; K463-M533 HydrophobicContact CG-CE 3.99Å; K463-M533 HydrophobicContact CG-SD 4.41Å
464S88.2Confident86.1Confident3 Ų331.2 Ų31.22%0.02116%0.164CC..Hα-helixtrans-61-41175.2-66.70000111.9V399 D460 R462 G468V399-S464 WeakPolarHBondContact CG2-OG 3.39Å; D460-S464 VanDerWaalsContact O-CB 3.3Å; D460-S464 WeakPolarHBondContact O-CB 3.19Å; D460-S464 PolarHBondContact O-N 3.36Å; D460-S464 PolarHBondContact O-OG 2.92Å; R462-S464 VanDerWaalsContact C-N 3.35Å; S464-G468 PolarHBondContact O-N 3.06Å
465A88.8Confident85.4Confident0 Ų032.1 Ų32.10%017%0.169CC..Hα-helixtrans-61-50.1174.100000112.8A453 M454 G461 R462 K463 G468 F469A453-A465 HydrophobicContact CB-CB 3.61Å; M454-A465 HydrophobicContact CG-CB 3.81Å; M454-A465 HydrophobicContact SD-CB 3.73Å; G461-A465 PolarHBondContact O-N 3.23Å; R462-A465 WeakPolarHBondContact O-CB 3.43Å; R462-A465 PolarHBondContact O-N 3.34Å; K463-A465 VanDerWaalsContact C-N 3.32Å; K463-A465 PolarHBondContact O-N 2.94Å; A465-G468 PolarHBondContact O-N 3.42Å; A465-F469 VanDerWaalsContact O-CD2 3.27Å; A465-F469 WeakPolarHBondContact O-CD2 3.38Å; A465-F469 PolarHBondContact O-N 3.16Å
466V90Very high84.5Confident0 Ų026.4 Ų26.40%014%0.144CC..Hα-helixtrans-61.1-46.3178.21700000111.1M454 R462 K463 G468 F469 L470 L520 C523 V530 M533 L534M454-V466 HydrophobicContact SD-CG2 4.06Å; R462-V466 WeakPolarHBondContact O-CG2 3.49Å; R462-V466 PolarHBondContact O-N 3.01Å; K463-V466 PolarHBondContact O-N 3.15Å; V466-G468 VanDerWaalsContact C-N 3.34Å; V466-G468 PolarHBondContact O-N 2.95Å; V466-F469 PolarHBondContact O-N 3.09Å; V466-L470 HydrophobicContact CG1-CD1 3.66Å; V466-L470 HydrophobicContact CG1-CG 4.29Å; V466-L470 WeakPolarHBondContact O-CB 3.37Å; V466-L470 WeakPolarHBondContact O-CD1 3.4Å; V466-L470 VanDerWaalsContact O-CG 3.22Å; V466-L470 WeakPolarHBondContact O-CG 3.38Å; V466-L470 PolarHBondContact O-N 2.68Å; V466-L520 HydrophobicContact CB-CD2 4.43Å; V466-L520 HydrophobicContact CG1-CD2 4.31Å; V466-L520 HydrophobicContact CG2-CD2 4.1Å; V466-C523 HydrophobicContact CG2-CB 4.29Å; V466-C523 WeakPolarHBondContact CG2-SG 3.42Å; V466-V530 HydrophobicContact CG2-CG1 3.83Å; V466-M533 HydrophobicContact CB-SD 4.12Å; V466-M533 HydrophobicContact CG1-CG 3.95Å; V466-M533 HydrophobicContact CG1-SD 4.03Å; V466-L534 HydrophobicContact CG1-CB 4.41Å; V466-L534 HydrophobicContact CG1-CD1 4.34Å
467T86.1Confident83.4Confident17 Ų1731.7 Ų31.710%0.10416%0.164CC..Hα-helixtrans-54.4-48.9174.1-690000111.6Q400 K463 L470 L471 M533Q400-T467 HydrophobicContact CG-CG2 3.55Å; K463-T467 WeakPolarHBondContact O-CB 3.41Å; K463-T467 PolarHBondContact O-N 2.98Å; K463-T467 PolarHBondContact O-OG1 3.11Å; K463-T467 VanDerWaalsContact O-OG1 3.06Å; T467-L470 PolarHBondContact O-N 2.99Å; T467-L471 WeakPolarHBondContact O-CB 3.39Å; T467-L471 PolarHBondContact O-N 3.15Å; T467-M533 PolarHBondContact OG1-SD 2.92Å
468G85.1Confident82Confident3 Ų326.6 Ų26.63%0.03113%0.128CC..Hα-helixtrans-63.8-46.1-179.500000112.8S464 A465 V466 L470 L471 L472S464-G468 PolarHBondContact O-N 3.06Å; A465-G468 PolarHBondContact O-N 3.42Å; V466-G468 VanDerWaalsContact C-N 3.34Å; V466-G468 PolarHBondContact O-N 2.95Å; G468-L470 PolarHBondContact O-N 2.93Å; G468-L471 PolarHBondContact O-N 3.17Å; G468-L472 WeakPolarHBondContact O-CG 3.41Å; G468-L472 PolarHBondContact O-N 3.21Å
469F88.1Confident79.7Confident2 Ų227.2 Ų27.21%0.00913%0.133CC..Hα-helixtrans-63.2-41.7176.8-80-53.8000113.1L450 R451 M454 A465 V466 L471 L472 L473 I516 L520L450-F469 HydrophobicContact CB-CD2 4.18Å; L450-F469 HydrophobicContact CB-CE1 3.99Å; L450-F469 HydrophobicContact CB-CE2 3.62Å; L450-F469 HydrophobicContact CB-CZ 3.51Å; L450-F469 HydrophobicContact CD1-CD1 4.44Å; L450-F469 HydrophobicContact CD1-CE1 4.5Å; L450-F469 WeakPolarHBondContact O-CE2 3.25Å; R451-F469 HydrophobicContact CG-CZ 3.84Å; M454-F469 HydrophobicContact CG-CD2 4.1Å; M454-F469 HydrophobicContact CG-CE2 3.6Å; M454-F469 HydrophobicContact SD-CD2 4.03Å; M454-F469 HydrophobicContact SD-CE2 4.15Å; A465-F469 VanDerWaalsContact O-CD2 3.27Å; A465-F469 WeakPolarHBondContact O-CD2 3.38Å; A465-F469 PolarHBondContact O-N 3.16Å; V466-F469 PolarHBondContact O-N 3.09Å; F469-L471 VanDerWaalsContact C-N 3.33Å; F469-L471 PolarHBondContact O-N 2.88Å; F469-L472 HydrophobicContact CD1-CD1 4.17Å; F469-L472 PolarHBondContact O-N 3.44Å; F469-L473 WeakPolarHBondContact O-CG 3.49Å; F469-L473 PolarHBondContact O-N 2.91Å; F469-I516 HydrophobicContact CB-CG2 3.7Å; F469-I516 HydrophobicContact CD1-CB 4.3Å; F469-I516 HydrophobicContact CD1-CD1 3.98Å; F469-I516 HydrophobicContact CD1-CG1 3.81Å; F469-I516 HydrophobicContact CD1-CG2 3.56Å; F469-I516 HydrophobicContact CE1-CD1 4.41Å; F469-I516 HydrophobicContact CE1-CG1 4.02Å; F469-I516 HydrophobicContact CE1-CG2 4.42Å; F469-I516 HydrophobicContact CG-CG2 3.81Å; F469-L520 HydrophobicContact CB-CD1 4.29Å; F469-L520 HydrophobicContact CB-CD2 3.96Å; F469-L520 HydrophobicContact CB-CG 4.31Å; F469-L520 HydrophobicContact CD2-CD2 4.49Å
470L86.7Confident77.2Confident8 Ų827.7 Ų27.74%0.04215%0.148CC..Hα-helixtrans-60.7-41.9173.1-72.4166.8000111.8V466 T467 G468 L473 K474 L520 L534 F538 V541V466-L470 HydrophobicContact CG1-CD1 3.66Å; V466-L470 HydrophobicContact CG1-CG 4.29Å; V466-L470 WeakPolarHBondContact O-CB 3.37Å; V466-L470 WeakPolarHBondContact O-CD1 3.4Å; V466-L470 VanDerWaalsContact O-CG 3.22Å; V466-L470 WeakPolarHBondContact O-CG 3.38Å; V466-L470 PolarHBondContact O-N 2.68Å; T467-L470 PolarHBondContact O-N 2.99Å; G468-L470 PolarHBondContact O-N 2.93Å; L470-L473 PolarHBondContact O-N 2.95Å; L470-K474 WeakPolarHBondContact O-CB 3.28Å; L470-K474 VanDerWaalsContact O-CG 3.28Å; L470-K474 WeakPolarHBondContact O-CG 3.44Å; L470-K474 PolarHBondContact O-N 3.11Å; L470-L520 HydrophobicContact CD2-CD1 4.34Å; L470-L534 HydrophobicContact CD2-CD1 4.28Å; L470-F538 HydrophobicContact CD2-CD1 4.48Å; L470-V541 HydrophobicContact CD2-CG2 3.87Å
471L82.6Confident74.7Confident25 Ų2526.9 Ų26.913%0.13115%0.149CC..Hα-helixtrans-70.5-30.7179.9-163.371.9000112.8L403 Q407 T467 G468 F469 N475L403-L471 HydrophobicContact CB-CD2 3.66Å; Q407-L471 PolarHBondContact NE2-O 3.18Å; Q407-L471 VanDerWaalsContact NE2-O 3.08Å; T467-L471 WeakPolarHBondContact O-CB 3.39Å; T467-L471 PolarHBondContact O-N 3.15Å; G468-L471 PolarHBondContact O-N 3.17Å; F469-L471 VanDerWaalsContact C-N 3.33Å; F469-L471 PolarHBondContact O-N 2.88Å; L471-N475 PolarHBondContact O-ND2 3.32Å
472L81.7Confident72Confident2 Ų234.5 Ų34.51%0.0119%0.189CC..Hα-helixtrans-63-56.8166.9-68.1172.6000110.1L436 L446 I447 L450 G468 F469 K474 N475 F476L436-L472 HydrophobicContact CD1-CD2 4.31Å; L446-L472 HydrophobicContact CD2-CD2 4.41Å; I447-L472 HydrophobicContact CG1-CD1 4.07Å; L450-L472 HydrophobicContact CD1-CD1 3.79Å; G468-L472 WeakPolarHBondContact O-CG 3.41Å; G468-L472 PolarHBondContact O-N 3.21Å; F469-L472 HydrophobicContact CD1-CD1 4.17Å; F469-L472 PolarHBondContact O-N 3.44Å; L472-K474 PolarHBondContact O-N 3.33Å; L472-N475 PolarHBondContact O-N 3.47Å; L472-F476 HydrophobicContact CB-CD2 4.3Å; L472-F476 HydrophobicContact CD2-CD2 4.14Å; L472-F476 HydrophobicContact CD2-CE2 3.65Å; L472-F476 WeakPolarHBondContact O-CD2 3.47Å; L472-F476 PolarHBondContact O-N 3.32Å
473L82.8Confident69.2Low1 Ų137.9 Ų37.91%0.00522%0.224CC..Hα-helixtrans-57.5-33.5-178.7-69.5177.2000113.5F469 L470 N475 C513 I516 L517 L520 V541 L548F469-L473 WeakPolarHBondContact O-CG 3.49Å; F469-L473 PolarHBondContact O-N 2.91Å; L470-L473 PolarHBondContact O-N 2.95Å; L473-N475 PolarHBondContact O-N 3.13Å; L473-C513 HydrophobicContact CD2-CB 3.86Å; L473-I516 HydrophobicContact CD1-CG2 3.75Å; L473-I516 HydrophobicContact CD2-CB 4.15Å; L473-I516 HydrophobicContact CD2-CD1 4.19Å; L473-I516 HydrophobicContact CD2-CG2 4.14Å; L473-I516 HydrophobicContact CG-CB 4.46Å; L473-I516 HydrophobicContact CG-CG2 3.9Å; L473-L517 HydrophobicContact CD1-CD2 3.75Å; L473-L517 HydrophobicContact CD1-CG 4.2Å; L473-L520 HydrophobicContact CD1-CD1 3.8Å; L473-V541 HydrophobicContact CB-CB 4.48Å; L473-V541 HydrophobicContact CB-CG1 3.75Å; L473-V541 HydrophobicContact CB-CG2 3.82Å; L473-V541 HydrophobicContact CD1-CG1 4.36Å; L473-L548 HydrophobicContact CD2-CD1 3.89Å
474K78.6Confident66.4Low33 Ų3340.1 Ų40.114%0.14324%0.243CC..THydrogen-bonded Turntrans-63.3-23.2175.2-78.6179.2-158.9-162.70114.2L470 L472 D540 V541 R544L470-K474 WeakPolarHBondContact O-CB 3.28Å; L470-K474 VanDerWaalsContact O-CG 3.28Å; L470-K474 WeakPolarHBondContact O-CG 3.44Å; L470-K474 PolarHBondContact O-N 3.11Å; L472-K474 PolarHBondContact O-N 3.33Å; K474-D540 HydrophobicContact CD-CB 3.94Å; K474-D540 HydrophobicContact CG-CB 4.39Å; K474-D540 IonicContact NZ-OD2 3.98Å; K474-D540 PolarHBondContact NZ-OD2 3.05Å; K474-V541 HydrophobicContact CG-CG2 3.8Å; K474-R544 WeakPolarHBondContact O-CB 3.37Å; K474-R544 WeakPolarHBondContact O-CD 3.37Å
475N71.7Confident63.7Low27 Ų2745.9 Ų45.914%0.14428%0.283CS..THydrogen-bonded Turntrans-126.3-17.9-166.3-66.2-53.3000114.6Q407 K437 L471 L472 L473 R544Q407-N475 PolarHBondContact NE2-ND2 3.49Å; Q407-N475 VanDerWaalsContact NE2-ND2 3.1Å; K437-N475 WeakPolarHBondContact CE-O 3.37Å; K437-N475 PolarHBondContact NZ-O 3.04Å; L471-N475 PolarHBondContact O-ND2 3.32Å; L472-N475 PolarHBondContact O-N 3.47Å; L473-N475 PolarHBondContact O-N 3.13Å; N475-R544 PolarHBondContact OD1-NH1 3.46Å
476F68.9Low61.3Low24 Ų2454.5 Ų54.511%0.10532%0.324CS..  trans-90.297.1165.5-72.5-82.2000108.8K437 K443 L472 N545K437-F476 HydrophobicContact CG-CE1 4.4Å; K437-F476 HydrophobicContact CG-CZ 4.5Å; K443-F476 HydrophobicContact CD-CE1 4.29Å; K443-F476 HydrophobicContact CD-CZ 4.03Å; K443-F476 HydrophobicContact CG-CZ 4.32Å; L472-F476 HydrophobicContact CB-CD2 4.3Å; L472-F476 HydrophobicContact CD2-CD2 4.14Å; L472-F476 HydrophobicContact CD2-CE2 3.65Å; L472-F476 WeakPolarHBondContact O-CD2 3.47Å; L472-F476 PolarHBondContact O-N 3.32Å; F476-N545 PolarHBondContact O-ND2 3.03Å
477K63.5Low58.4Low138 Ų13859.2 Ų59.260%0.636%0.356SS*.PPolyproline II helixtrans-74.1136.2169.2-68.3-168.5175.3-166.80109L479 R544K477-L479 PolarHBondContact O-N 3.38Å; K477-R544 VanDerWaalsContact CE-O 3.31Å; K477-R544 WeakPolarHBondContact CE-O 3.36Å
478V56.8Low55.8Low6 Ų664 Ų644%0.03639%0.391CS..PPolyproline II helixtrans-73.1118.1157.5-175.30000105.4E510 C513 Q547V478-E510 HydrophobicContact CG1-CB 3.74Å; V478-E510 HydrophobicContact CG1-CG 4.12Å; V478-E510 HydrophobicContact CG2-CB 4.25Å; V478-C513 HydrophobicContact CG2-CB 4.34Å; V478-Q547 PolarHBondContact O-OE1 3.25Å
479L38.9Very low53.4Low103 Ų10372.2 Ų72.254%0.53943%0.428SS..PPolyproline II helixtrans-81.1119.6172.3-78.5164000105.9K477 S481 Y504 S506K477-L479 PolarHBondContact O-N 3.38Å; L479-S481 PolarHBondContact O-N 3.41Å; L479-Y504 HydrophobicContact CD1-CD1 4.44Å; L479-Y504 HydrophobicContact CD1-CG 4.45Å; L479-S506 VanDerWaalsContact O-CB 3.22Å; L479-S506 WeakPolarHBondContact O-CB 3.11Å; L479-S506 PolarHBondContact O-OG 3.3Å
480G34.3Very low50.8Low53 Ų5377.3 Ų77.355%0.54647%0.471SS..PPolyproline II helixtrans-48.2121.9-166.400000113.6Q547G480-Q547 VanDerWaalsContact CA-NE2 3.29Å
481S31.3Very low48.2Very low60 Ų6083.8 Ų83.842%0.4251%0.511SS..PPolyproline II helixtrans-72.4136.7158.6-172.20000107.5L479 S506L479-S481 PolarHBondContact O-N 3.41Å; S481-S506 PolarHBondContact N-OG 2.98Å
482L28.6Very low45.8Very low159 Ų15987.6 Ų87.683%0.83254%0.539SS*.PPolyproline II helixtrans-60.8149.8157.2-72.2164.9000108.3S484L482-S484 PolarHBondContact O-N 2.9Å
483A31.1Very low43.7Very low107 Ų10793.5 Ų93.588%0.88458%0.58SS**PPolyproline II helixtrans-52.9122.8-173.300000111.6
484S30.1Very low41.3Very low72 Ų7298.1 Ų98.150%0.50361%0.613SS.*  trans-113.5100.3175.8710000110.3L482 Q486L482-S484 PolarHBondContact O-N 2.9Å; S484-Q486 PolarHBondContact O-N 3.21Å
485S32.5Very low39.3Very low123 Ų123105.2 Ų105.286%0.8665%0.647SS**THydrogen-bonded Turntrans-73.131.4-179.345.70000114.1
486Q37.3Very low37.6Very low182 Ų182110.7 Ų110.785%0.8568%0.68SS**THydrogen-bonded Turntrans-143.528.1-173.3-68.3-168.160.600114.9S484S484-Q486 PolarHBondContact O-N 3.21Å
487S30.3Very low35.8Very low98 Ų98118.2 Ų118.269%0.68572%0.716SS**  trans-97.331.6-179.156.20000115.1Q489S487-Q489 VanDerWaalsContact C-N 3.26Å; S487-Q489 PolarHBondContact O-N 3.43Å; S487-Q489 VanDerWaalsContact O-N 3.17Å
488S30.5Very low34.6Very low119 Ų119117.6 Ų117.683%0.83272%0.724SS**  trans-79.213.3-176.6-40.60000115.9
489Q35.2Very low33.1Very low175 Ų175123.9 Ų123.982%0.81876%0.757SS**SBendtrans-131.1116.7178.2-66.8-163.4-0.500112.4S487 V491S487-Q489 VanDerWaalsContact C-N 3.26Å; S487-Q489 PolarHBondContact O-N 3.43Å; S487-Q489 VanDerWaalsContact O-N 3.17Å; Q489-V491 PolarHBondContact O-N 2.92Å; Q489-V491 VanDerWaalsContact O-N 3.15Å
490A33Very low33.1Very low109 Ų109123.6 Ų123.690%0.90176%0.759SS**  trans-68.9106171.300000110S492A490-S492 PolarHBondContact O-N 3.37Å
491V33.6Very low33.2Very low144 Ų144129.5 Ų129.587%0.87377%0.772SS**  trans-72.8118.1179.7-116.90000110.9Q489Q489-V491 PolarHBondContact O-N 2.92Å; Q489-V491 VanDerWaalsContact O-N 3.15Å
492S30.6Very low33.4Very low104 Ų104130.9 Ų130.973%0.72778%0.782SS**  trans-69.1134.4176.4-172.80000111.5A490 S494A490-S492 PolarHBondContact O-N 3.37Å; S492-S494 VanDerWaalsContact C-N 3.33Å; S492-S494 PolarHBondContact O-N 3.46Å; S492-S494 VanDerWaalsContact O-N 3.11Å
493S38.8Very low33.9Very low126 Ų126134.5 Ų134.588%0.88178%0.784SS**THydrogen-bonded Turntrans-86.730.1-160.1550000116.2
494S32.5Very low34.8Very low98 Ų98136.7 Ų136.769%0.68577%0.771SS**THydrogen-bonded Turntrans-106.4-8.4-17054.70000117.1S492S492-S494 VanDerWaalsContact C-N 3.33Å; S492-S494 PolarHBondContact O-N 3.46Å; S492-S494 VanDerWaalsContact O-N 3.11Å
495Q35.6Very low36.1Very low183 Ų183138.1 Ų138.186%0.85577%0.773SS**  trans-143.543.5-173.7-72-171.3-38.500115.5
496V36.1Very low37.3Very low141 Ų141133.2 Ų133.286%0.85574%0.738SS**  trans-10786.4164.7-174.20000109.2
497Q30.5Very low38.6Very low182 Ų182126.7 Ų126.785%0.8572%0.716SS**  trans-78122.5165.8-86.9-173.4-3400109.7
498V39Very low40.3Very low126 Ų126124.4 Ų124.476%0.76470%0.703SS**  trans3391.9141.2-169.90000115.4V500V498-V500 HydrophobicContact CG1-CG2 3.71Å
499D26.4Very low42.2Very low137 Ų137120.4 Ų120.473%0.73367%0.672SS**  trans-114.6126.1151.9-164.59000109.9
500V37.3Very low43.9Very low97 Ų97115.9 Ų115.959%0.58865%0.651SS**THydrogen-bonded Turntrans-97.5117.8-164.9-172.90000108V498V498-V500 HydrophobicContact CG1-CG2 3.71Å
501H36.8Very low46.1Very low177 Ų177113.6 Ų113.682%0.81963%0.632SS**THydrogen-bonded Turntrans93.516.6-178.8-47.396.8000118.5R503H501-R503 PolarHBondContact O-N 3.25Å
502S35.9Very low48.2Very low89 Ų89108.1 Ų108.162%0.62260%0.597SS**  trans-70113.8164.357.90000111Y504S502-Y504 PolarHBondContact O-N 3.02Å
503R39.3Very low50.7Low235 Ų235103.3 Ų103.389%0.88756%0.563SS**  trans-65.9121.4179-66.5176179171.8-0.7110H501 N505H501-R503 PolarHBondContact O-N 3.25Å; R503-N505 PolarHBondContact O-N 3.5Å
504Y49Very low52.8Low154 Ų154100.3 Ų100.360%0.60454%0.537SS*.  trans30.377.5162.9-68.9-88000115.8L479 S502 S506L479-Y504 HydrophobicContact CD1-CD1 4.44Å; L479-Y504 HydrophobicContact CD1-CG 4.45Å; S502-Y504 PolarHBondContact O-N 3.02Å; Y504-S506 PolarHBondContact O-N 3.34Å
505N58.2Low55.4Low102 Ų102100.1 Ų100.155%0.54553%0.525SS..  trans-64.6101.7172-173-9.4000110.2R503 A508 N509R503-N505 PolarHBondContact O-N 3.5Å; N505-A508 HydrophobicContact CB-CB 3.99Å; N505-A508 PolarHBondContact O-N 3.16Å; N505-N509 PolarHBondContact O-N 3.28Å; N505-N509 PolarHBondContact O-ND2 2.99Å; N505-N509 VanDerWaalsContact O-ND2 3.12Å
506S58.3Low57.7Low19 Ų1991.6 Ų91.613%0.13349%0.485CS..Hα-helixtrans-56.4-53.5-175.8170.20000112.1L479 S481 Y504 A508 N509 E510L479-S506 VanDerWaalsContact O-CB 3.22Å; L479-S506 WeakPolarHBondContact O-CB 3.11Å; L479-S506 PolarHBondContact O-OG 3.3Å; S481-S506 PolarHBondContact N-OG 2.98Å; Y504-S506 PolarHBondContact O-N 3.34Å; S506-A508 PolarHBondContact O-N 3.08Å; S506-N509 WeakPolarHBondContact O-CA 3.38Å; S506-N509 WeakPolarHBondContact O-CB 3.46Å; S506-N509 PolarHBondContact O-N 3.24Å; S506-E510 PolarHBondContact O-N 2.74Å
507A63.5Low60.1Low45 Ų4585 Ų8537%0.37245%0.445SS..Hα-helixtrans-59.3-33.5-178.900000112.8E510 A511A507-E510 PolarHBondContact O-N 3.44Å; A507-A511 WeakPolarHBondContact O-CB 3.23Å; A507-A511 PolarHBondContact O-N 2.95Å
508A66.8Low62.7Low51 Ų5179 Ų7942%0.42142%0.424SS..Hα-helixtrans-69.5-37.1174.600000112.5N505 S506 F512N505-A508 HydrophobicContact CB-CB 3.99Å; N505-A508 PolarHBondContact O-N 3.16Å; S506-A508 PolarHBondContact O-N 3.08Å; A508-F512 WeakPolarHBondContact O-CB 3.42Å; A508-F512 PolarHBondContact O-N 3.2Å; A508-F512 VanDerWaalsContact O-N 3.11Å
509N69.1Low65Low34 Ų3474.2 Ų74.218%0.18240%0.395CS..Hα-helixtrans-69.9-36.3174.1-69.6-52.8000111.8N505 S506 C513N505-N509 PolarHBondContact O-N 3.28Å; N505-N509 PolarHBondContact O-ND2 2.99Å; N505-N509 VanDerWaalsContact O-ND2 3.12Å; S506-N509 WeakPolarHBondContact O-CA 3.38Å; S506-N509 WeakPolarHBondContact O-CB 3.46Å; S506-N509 PolarHBondContact O-N 3.24Å; N509-C513 PolarHBondContact O-N 3.19Å; N509-C513 PolarHBondContact O-SG 2.86Å
510E72.7Confident67.9Low80 Ų8067.7 Ų67.737%0.37436%0.36SS..Hα-helixtrans-63.9-56.4175.3-166.4-175.3159.300111.5V478 S506 A507 F512 C513 L514V478-E510 HydrophobicContact CG1-CB 3.74Å; V478-E510 HydrophobicContact CG1-CG 4.12Å; V478-E510 HydrophobicContact CG2-CB 4.25Å; S506-E510 PolarHBondContact O-N 2.74Å; A507-E510 PolarHBondContact O-N 3.44Å; E510-F512 PolarHBondContact O-N 3.45Å; E510-C513 PolarHBondContact O-N 2.64Å; E510-L514 HydrophobicContact CG-CD1 4.34Å; E510-L514 WeakPolarHBondContact O-CG 3.26Å; E510-L514 PolarHBondContact O-N 3.15Å
511A77.7Confident70.4Confident61 Ų6167.6 Ų67.650%0.50435%0.349SS..Hα-helixtrans-54.9-39.4177.200000112A507 L514 E515A507-A511 WeakPolarHBondContact O-CB 3.23Å; A507-A511 PolarHBondContact O-N 2.95Å; A511-L514 PolarHBondContact O-N 3.3Å; A511-E515 WeakPolarHBondContact O-CB 3.38Å; A511-E515 PolarHBondContact O-N 2.97Å
512F79Confident72.8Confident30 Ų3066.8 Ų66.813%0.13234%0.339CS..Hα-helixtrans-65.4-42.5174.5174.1-105.7000113.3I447 A508 E510 L514 E515 I516I447-F512 HydrophobicContact CD1-CE1 4.37Å; I447-F512 HydrophobicContact CD1-CE2 3.66Å; I447-F512 HydrophobicContact CD1-CZ 3.32Å; I447-F512 HydrophobicContact CG1-CE2 4.27Å; I447-F512 HydrophobicContact CG1-CZ 3.86Å; I447-F512 HydrophobicContact CG2-CE2 4.16Å; A508-F512 WeakPolarHBondContact O-CB 3.42Å; A508-F512 PolarHBondContact O-N 3.2Å; A508-F512 VanDerWaalsContact O-N 3.11Å; E510-F512 PolarHBondContact O-N 3.45Å; F512-L514 VanDerWaalsContact C-N 3.35Å; F512-E515 PolarHBondContact O-N 3.08Å; F512-I516 HydrophobicContact CD1-CD1 4.13Å; F512-I516 HydrophobicContact CE1-CD1 3.47Å; F512-I516 VanDerWaalsContact CE1-CD1 3.47Å; F512-I516 HydrophobicContact CE1-CG1 4.48Å; F512-I516 HydrophobicContact CE2-CD1 4.13Å; F512-I516 HydrophobicContact CE2-CG1 4.41Å; F512-I516 HydrophobicContact CZ-CD1 3.47Å; F512-I516 VanDerWaalsContact CZ-CD1 3.47Å; F512-I516 HydrophobicContact CZ-CG1 4.22Å; F512-I516 WeakPolarHBondContact O-CG1 3.14Å; F512-I516 PolarHBondContact O-N 3.14Å
513C81.9Confident75.3Confident2 Ų262.6 Ų62.61%0.01431%0.31CS..Hα-helixtrans-65.1-39.6175.5-68.40000111.6L473 V478 N509 E510 I516 L517 L548L473-C513 HydrophobicContact CD2-CB 3.86Å; V478-C513 HydrophobicContact CG2-CB 4.34Å; N509-C513 PolarHBondContact O-N 3.19Å; N509-C513 PolarHBondContact O-SG 2.86Å; E510-C513 PolarHBondContact O-N 2.64Å; C513-I516 PolarHBondContact O-N 2.99Å; C513-L517 WeakPolarHBondContact O-CG 3.46Å; C513-L517 PolarHBondContact O-N 3.45Å; C513-L548 HydrophobicContact CB-CD1 4.13Å; C513-L548 HydrophobicContact CB-CD2 3.74Å
514L83.4Confident77.6Confident64 Ų6452 Ų5234%0.33527%0.271SS..Hα-helixtrans-65.7-36.9174.5-65.2176.4000112.1E510 A511 F512 L517 S518 S551E510-L514 HydrophobicContact CG-CD1 4.34Å; E510-L514 WeakPolarHBondContact O-CG 3.26Å; E510-L514 PolarHBondContact O-N 3.15Å; A511-L514 PolarHBondContact O-N 3.3Å; F512-L514 VanDerWaalsContact C-N 3.35Å; L514-L517 HydrophobicContact CD2-CD1 4.49Å; L514-L517 PolarHBondContact O-N 2.89Å; L514-S518 WeakPolarHBondContact O-CB 3.45Å; L514-S518 PolarHBondContact O-N 3.19Å; L514-S551 WeakPolarHBondContact CD2-OG 3.33Å
515E86.1Confident79.3Confident94 Ų9447.2 Ų47.244%0.43927%0.268SS..Hα-helixtrans-62.5-44.5172.7-164.9-168.3176.600111.4R451 A511 F512 S518 S519R451-E515 IonicContact CZ-OE1 3.46Å; R451-E515 VanDerWaalsContact CZ-OE1 3.24Å; R451-E515 IonicContact CZ-OE2 3.43Å; R451-E515 IonicContact NH1-OE1 3.91Å; R451-E515 PolarHBondContact NH1-OE1 3.23Å; R451-E515 IonicContact NH1-OE2 3.18Å; R451-E515 IonicContact NH2-OE1 2.79Å; R451-E515 PolarHBondContact NH2-OE1 3.28Å; R451-E515 IonicContact NH2-OE2 3.84Å; R451-E515 PolarHBondContact NH2-OE2 3.17Å; A511-E515 WeakPolarHBondContact O-CB 3.38Å; A511-E515 PolarHBondContact O-N 2.97Å; F512-E515 PolarHBondContact O-N 3.08Å; E515-S518 WeakPolarHBondContact O-CB 3.45Å; E515-S518 PolarHBondContact O-N 2.94Å; E515-S519 PolarHBondContact O-N 3.31Å
516I85.6Confident80.9Confident3 Ų344 Ų442%0.01525%0.25CS..Hα-helixtrans-61-48174.1-66.8171000110.7F469 L473 F512 C513 S518 S519 L520F469-I516 HydrophobicContact CB-CG2 3.7Å; F469-I516 HydrophobicContact CD1-CB 4.3Å; F469-I516 HydrophobicContact CD1-CD1 3.98Å; F469-I516 HydrophobicContact CD1-CG1 3.81Å; F469-I516 HydrophobicContact CD1-CG2 3.56Å; F469-I516 HydrophobicContact CE1-CD1 4.41Å; F469-I516 HydrophobicContact CE1-CG1 4.02Å; F469-I516 HydrophobicContact CE1-CG2 4.42Å; F469-I516 HydrophobicContact CG-CG2 3.81Å; L473-I516 HydrophobicContact CD1-CG2 3.75Å; L473-I516 HydrophobicContact CD2-CB 4.15Å; L473-I516 HydrophobicContact CD2-CD1 4.19Å; L473-I516 HydrophobicContact CD2-CG2 4.14Å; L473-I516 HydrophobicContact CG-CB 4.46Å; L473-I516 HydrophobicContact CG-CG2 3.9Å; F512-I516 HydrophobicContact CD1-CD1 4.13Å; F512-I516 HydrophobicContact CE1-CD1 3.47Å; F512-I516 VanDerWaalsContact CE1-CD1 3.47Å; F512-I516 HydrophobicContact CE1-CG1 4.48Å; F512-I516 HydrophobicContact CE2-CD1 4.13Å; F512-I516 HydrophobicContact CE2-CG1 4.41Å; F512-I516 HydrophobicContact CZ-CD1 3.47Å; F512-I516 VanDerWaalsContact CZ-CD1 3.47Å; F512-I516 HydrophobicContact CZ-CG1 4.22Å; F512-I516 WeakPolarHBondContact O-CG1 3.14Å; F512-I516 PolarHBondContact O-N 3.14Å; C513-I516 PolarHBondContact O-N 2.99Å; I516-S518 VanDerWaalsContact C-N 3.27Å; I516-S518 PolarHBondContact O-N 3.36Å; I516-S519 CarbonylContact O-C 3.59Å; I516-S519 WeakPolarHBondContact O-CA 3.46Å; I516-S519 VanDerWaalsContact O-CB 3.32Å; I516-S519 WeakPolarHBondContact O-CB 3.23Å; I516-S519 PolarHBondContact O-N 2.9Å; I516-S519 VanDerWaalsContact O-N 3.08Å; I516-L520 HydrophobicContact CG2-CD1 3.96Å; I516-L520 HydrophobicContact CG2-CG 4.17Å; I516-L520 WeakPolarHBondContact O-CG 3.49Å; I516-L520 PolarHBondContact O-N 3.44Å
517L85.3Confident82.4Confident3 Ų347.5 Ų47.52%0.01626%0.264CS..Hα-helixtrans-60.2-38177.6-72.9175.7000111.7L473 C513 L514 S519 L520 R521 F538 L548 I552L473-L517 HydrophobicContact CD1-CD2 3.75Å; L473-L517 HydrophobicContact CD1-CG 4.2Å; C513-L517 WeakPolarHBondContact O-CG 3.46Å; C513-L517 PolarHBondContact O-N 3.45Å; L514-L517 HydrophobicContact CD2-CD1 4.49Å; L514-L517 PolarHBondContact O-N 2.89Å; L517-S519 VanDerWaalsContact C-N 3.33Å; L517-S519 PolarHBondContact O-N 3.31Å; L517-L520 HydrophobicContact CD2-CD1 4.5Å; L517-L520 PolarHBondContact O-N 2.87Å; L517-R521 WeakPolarHBondContact O-CG 3.29Å; L517-R521 PolarHBondContact O-N 3.47Å; L517-F538 HydrophobicContact CD2-CE1 3.95Å; L517-L548 HydrophobicContact CD1-CB 4.15Å; L517-L548 HydrophobicContact CD1-CD1 4.31Å; L517-L548 HydrophobicContact CD1-CD2 4.01Å; L517-L548 HydrophobicContact CD1-CG 4.37Å; L517-I552 HydrophobicContact CD1-CG1 4.34Å; L517-I552 HydrophobicContact CD2-CD1 4.49Å; L517-I552 HydrophobicContact CD2-CG1 4Å
518S86.2Confident83.6Confident57 Ų5745.8 Ų45.840%0.39925%0.25SS..Hα-helixtrans-64.5-36.5174.3-154.10000112.7L514 E515 I516 R521L514-S518 WeakPolarHBondContact O-CB 3.45Å; L514-S518 PolarHBondContact O-N 3.19Å; E515-S518 WeakPolarHBondContact O-CB 3.45Å; E515-S518 PolarHBondContact O-N 2.94Å; I516-S518 VanDerWaalsContact C-N 3.27Å; I516-S518 PolarHBondContact O-N 3.36Å; S518-R521 PolarHBondContact OG-NH2 3.29Å
519S86.3Confident84.7Confident24 Ų2447.3 Ų47.317%0.16825%0.251CS..Hα-helixtrans-66.2-47171.1-165.60000111.5M454 E515 I516 L517 R521 R522M454-S519 VanDerWaalsContact CE-O 3.25Å; M454-S519 WeakPolarHBondContact CE-O 3.34Å; E515-S519 PolarHBondContact O-N 3.31Å; I516-S519 CarbonylContact O-C 3.59Å; I516-S519 WeakPolarHBondContact O-CA 3.46Å; I516-S519 VanDerWaalsContact O-CB 3.32Å; I516-S519 WeakPolarHBondContact O-CB 3.23Å; I516-S519 PolarHBondContact O-N 2.9Å; I516-S519 VanDerWaalsContact O-N 3.08Å; L517-S519 VanDerWaalsContact C-N 3.33Å; L517-S519 PolarHBondContact O-N 3.31Å; S519-R521 VanDerWaalsContact C-N 3.32Å; S519-R521 PolarHBondContact O-N 2.94Å; S519-R522 VanDerWaalsContact O-CB 3.31Å; S519-R522 WeakPolarHBondContact O-CB 3.36Å; S519-R522 PolarHBondContact O-N 3.36Å; S519-R522 VanDerWaalsContact O-N 3.08Å
520L88.4Confident85.7Confident0 Ų045.7 Ų45.70%024%0.242CC..Hα-helixtrans-63.5-32.1178.6-71.4177.7000113.2M454 V466 F469 L470 L473 I516 L517 R522 C523 L534M454-L520 HydrophobicContact CE-CD2 4.3Å; V466-L520 HydrophobicContact CB-CD2 4.43Å; V466-L520 HydrophobicContact CG1-CD2 4.31Å; V466-L520 HydrophobicContact CG2-CD2 4.1Å; F469-L520 HydrophobicContact CB-CD1 4.29Å; F469-L520 HydrophobicContact CB-CD2 3.96Å; F469-L520 HydrophobicContact CB-CG 4.31Å; F469-L520 HydrophobicContact CD2-CD2 4.49Å; L470-L520 HydrophobicContact CD2-CD1 4.34Å; L473-L520 HydrophobicContact CD1-CD1 3.8Å; I516-L520 HydrophobicContact CG2-CD1 3.96Å; I516-L520 HydrophobicContact CG2-CG 4.17Å; I516-L520 WeakPolarHBondContact O-CG 3.49Å; I516-L520 PolarHBondContact O-N 3.44Å; L517-L520 HydrophobicContact CD2-CD1 4.5Å; L517-L520 PolarHBondContact O-N 2.87Å; L520-R522 PolarHBondContact O-N 2.9Å; L520-R522 VanDerWaalsContact O-N 3.14Å; L520-C523 VanDerWaalsContact O-CB 3.28Å; L520-C523 WeakPolarHBondContact O-CB 3.39Å; L520-C523 PolarHBondContact O-N 2.99Å; L520-L534 HydrophobicContact CB-CD1 4.04Å; L520-L534 HydrophobicContact CD1-CD1 4.11Å; L520-L534 HydrophobicContact CD2-CD1 4.11Å; L520-L534 HydrophobicContact CG-CD1 4.32Å
521R88.9Confident86.7Confident95 Ų9541.9 Ų41.936%0.35823%0.225SC..Hα-helixtrans-54.3-31.1171.9-82.7-171.2-73.4-115.13.6112.8L517 S518 S519 C523 L524 T555L517-R521 WeakPolarHBondContact O-CG 3.29Å; L517-R521 PolarHBondContact O-N 3.47Å; S518-R521 PolarHBondContact OG-NH2 3.29Å; S519-R521 VanDerWaalsContact C-N 3.32Å; S519-R521 PolarHBondContact O-N 2.94Å; R521-C523 PolarHBondContact O-N 3.36Å; R521-L524 WeakPolarHBondContact O-CB 3.41Å; R521-L524 PolarHBondContact O-N 3.46Å; R521-T555 HydrophobicContact CG-CG2 3.72Å
522R86.5Confident87.3Confident161 Ų16141.3 Ų41.361%0.60821%0.213SC*.G310 helixtrans-66.8-21.4176.3-58.3-178.4176.4-170.1-2.2113S519 L520 L524 G525S519-R522 VanDerWaalsContact O-CB 3.31Å; S519-R522 WeakPolarHBondContact O-CB 3.36Å; S519-R522 PolarHBondContact O-N 3.36Å; S519-R522 VanDerWaalsContact O-N 3.08Å; L520-R522 PolarHBondContact O-N 2.9Å; L520-R522 VanDerWaalsContact O-N 3.14Å; R522-L524 VanDerWaalsContact C-N 3.3Å; R522-L524 PolarHBondContact O-N 3.39Å; R522-G525 PolarHBondContact O-N 3.35Å
523C88.1Confident87.7Confident0 Ų040.8 Ų40.80%021%0.211CC..G310 helixtrans-71-23.1175.9-70.50000113.5M454 V466 L520 R521 G525 Q526 V530 L534M454-C523 WeakPolarHBondContact CE-SG 3.38Å; V466-C523 HydrophobicContact CG2-CB 4.29Å; V466-C523 WeakPolarHBondContact CG2-SG 3.42Å; L520-C523 VanDerWaalsContact O-CB 3.28Å; L520-C523 WeakPolarHBondContact O-CB 3.39Å; L520-C523 PolarHBondContact O-N 2.99Å; R521-C523 PolarHBondContact O-N 3.36Å; C523-G525 PolarHBondContact O-N 3.02Å; C523-G525 VanDerWaalsContact O-N 3.17Å; C523-Q526 WeakPolarHBondContact O-CB 3.4Å; C523-Q526 PolarHBondContact O-N 3.22Å; C523-V530 HydrophobicContact CB-CG1 3.92Å; C523-L534 HydrophobicContact CB-CD2 4.16Å
524L87.6Confident88.2Confident13 Ų1340.7 Ų40.77%0.06821%0.21CC..G310 helixtrans-65.2-14.9174.5-61.6173.1000113.4R521 R522 R531 L534 Y535 T555R521-L524 WeakPolarHBondContact O-CB 3.41Å; R521-L524 PolarHBondContact O-N 3.46Å; R522-L524 VanDerWaalsContact C-N 3.3Å; R522-L524 PolarHBondContact O-N 3.39Å; L524-R531 PolarHBondContact O-NE 3.04Å; L524-R531 VanDerWaalsContact O-NE 3.1Å; L524-R531 PolarHBondContact O-NH2 2.96Å; L524-L534 HydrophobicContact CD2-CD2 3.79Å; L524-L534 HydrophobicContact CG-CD2 4.03Å; L524-Y535 HydrophobicContact CD2-CE1 3.55Å; L524-Y535 WeakPolarHBondContact CD2-OH 3.21Å; L524-T555 HydrophobicContact CD1-CG2 3.54Å
525G86.8Confident88.6Confident53 Ų5337.9 Ų37.955%0.54620%0.195SC..G310 helixtrans-90.4-6.5170.300000114.8R522 C523 R531R522-G525 PolarHBondContact O-N 3.35Å; C523-G525 PolarHBondContact O-N 3.02Å; C523-G525 VanDerWaalsContact O-N 3.17Å; G525-R531 PolarHBondContact O-NH2 3.25Å
526Q90.1Very high88.5Confident36 Ų3637.3 Ų37.317%0.16819%0.193CC..SBendtrans-92.1-160.5-170.5-59.3-173.72200112.7C523 V530 R531C523-Q526 WeakPolarHBondContact O-CB 3.4Å; C523-Q526 PolarHBondContact O-N 3.22Å; Q526-V530 HydrophobicContact CB-CB 4.42Å; Q526-R531 PolarHBondContact O-NE 3.47Å; Q526-R531 PolarHBondContact O-NH2 2.66Å
527Q89.9Confident88.6Confident92 Ų9237.4 Ų37.443%0.4319%0.194SC..  trans-73.6152.6-179.4-68.6159.6-71.500111.8L459 D529 V530 R531L459-Q527 HydrophobicContact CD1-CB 4.22Å; Q527-D529 VanDerWaalsContact C-N 3.33Å; Q527-D529 PolarHBondContact O-N 3.1Å; Q527-V530 WeakPolarHBondContact O-CB 3.46Å; Q527-V530 PolarHBondContact O-N 3.03Å; Q527-R531 PolarHBondContact O-N 3.29Å
528A90.1Very high88.8Confident9 Ų937.3 Ų37.37%0.07419%0.193CC..Hα-helixtrans-51.1-44.9-172.400000114.1V530 R531 L532 L589 Q590A528-V530 PolarHBondContact O-N 3.31Å; A528-R531 WeakPolarHBondContact O-CA 3.35Å; A528-R531 WeakPolarHBondContact O-CB 3.3Å; A528-R531 PolarHBondContact O-N 2.73Å; A528-L532 PolarHBondContact O-N 3.17Å; A528-L589 HydrophobicContact CB-CB 4.46Å; A528-L589 HydrophobicContact CB-CD2 4.34Å; A528-L589 HydrophobicContact CB-CG 4.02Å; A528-L589 WeakPolarHBondContact CB-O 3.18Å; A528-Q590 WeakPolarHBondContact CA-O 3.29Å; A528-Q590 WeakPolarHBondContact CB-O 3.36Å
529D89.1Confident88.9Confident82 Ų8235.9 Ų35.944%0.43918%0.179SC..Hα-helixtrans-59-32.4179.8-55.48.9000113.7K463 Q527 M533K463-D529 WeakPolarHBondContact CE-OD2 3.27Å; K463-D529 IonicContact NZ-OD2 3.53Å; K463-D529 PolarHBondContact NZ-OD2 2.86Å; Q527-D529 VanDerWaalsContact C-N 3.33Å; Q527-D529 PolarHBondContact O-N 3.1Å; D529-M533 WeakPolarHBondContact O-CB 3.24Å; D529-M533 PolarHBondContact O-N 3.42Å
530V91.1Very high88.7Confident0 Ų035.7 Ų35.70%018%0.177CC..Hα-helixtrans-74.8-35.8178.7-170.90000109.9K463 V466 C523 Q526 Q527 A528 L534K463-V530 HydrophobicContact CG-CG2 4.27Å; V466-V530 HydrophobicContact CG2-CG1 3.83Å; C523-V530 HydrophobicContact CB-CG1 3.92Å; Q526-V530 HydrophobicContact CB-CB 4.42Å; Q527-V530 WeakPolarHBondContact O-CB 3.46Å; Q527-V530 PolarHBondContact O-N 3.03Å; A528-V530 PolarHBondContact O-N 3.31Å; V530-L534 PolarHBondContact O-N 2.95Å
531R93.3Very high88.6Confident1 Ų135.7 Ų35.70%0.00418%0.177CC..Hα-helixtrans-67.8-45.4174.3-52.8-173.9-166.1-176.8-0.7111L524 G525 Q526 Q527 A528 M533 L534 Y535 Y563 Q590 E591 P592L524-R531 PolarHBondContact O-NE 3.04Å; L524-R531 VanDerWaalsContact O-NE 3.1Å; L524-R531 PolarHBondContact O-NH2 2.96Å; G525-R531 PolarHBondContact O-NH2 3.25Å; Q526-R531 PolarHBondContact O-NE 3.47Å; Q526-R531 PolarHBondContact O-NH2 2.66Å; Q527-R531 PolarHBondContact O-N 3.29Å; A528-R531 WeakPolarHBondContact O-CA 3.35Å; A528-R531 WeakPolarHBondContact O-CB 3.3Å; A528-R531 PolarHBondContact O-N 2.73Å; R531-M533 PolarHBondContact O-N 3.3Å; R531-L534 WeakPolarHBondContact O-CB 3.27Å; R531-L534 PolarHBondContact O-N 3.2Å; R531-L534 VanDerWaalsContact O-N 3.08Å; R531-Y535 HydrophobicContact CB-CE2 3.91Å; R531-Y535 VanDerWaalsContact O-CD2 3.23Å; R531-Y535 WeakPolarHBondContact O-CD2 3.45Å; R531-Y535 VanDerWaalsContact O-CG 3.25Å; R531-Y535 PolarHBondContact O-N 2.97Å; R531-Y563 PolarHBondContact NH1-OH 3.32Å; R531-Q590 VanDerWaalsContact CZ-O 3.29Å; R531-Q590 PolarHBondContact NE-O 3.49Å; R531-Q590 PolarHBondContact NH1-O 2.87Å; R531-E591 WeakPolarHBondContact CD-OE2 3.39Å; R531-E591 IonicContact CZ-OE2 2.7Å; R531-E591 IonicContact NE-OE2 3.52Å; R531-E591 IonicContact NH1-OE2 3.29Å; R531-E591 PolarHBondContact NH1-OE2 2.96Å; R531-P592 HydrophobicContact CB-CG 4.35Å
532L90Very high88.5Confident49 Ų4931.2 Ų31.226%0.25716%0.16SC..Hα-helixtrans-55.8-50.4176.8-174.8151.5000111.5A528 L534 Y535 E536 P592A528-L532 PolarHBondContact O-N 3.17Å; L532-L534 VanDerWaalsContact C-N 3.26Å; L532-L534 PolarHBondContact O-N 3.42Å; L532-Y535 PolarHBondContact O-N 3.04Å; L532-Y535 VanDerWaalsContact O-N 3.15Å; L532-E536 HydrophobicContact CD2-CG 4.26Å; L532-E536 WeakPolarHBondContact CD2-OE1 3.44Å; L532-E536 PolarHBondContact O-N 3.04Å; L532-P592 HydrophobicContact CB-CG 4.16Å
533M87.5Confident88.3Confident19 Ų1925.8 Ų25.89%0.09414%0.139CC..Hα-helixtrans-59.9-34.9176.1178.9178.8-69.400113.2L396 K463 V466 T467 D529 R531 G537L396-M533 HydrophobicContact CD1-CE 3.79Å; L396-M533 HydrophobicContact CD2-CE 3.4Å; L396-M533 VanDerWaalsContact CD2-CE 3.4Å; L396-M533 HydrophobicContact CG-CE 4.22Å; K463-M533 HydrophobicContact CB-CE 3.77Å; K463-M533 HydrophobicContact CB-SD 4.02Å; K463-M533 HydrophobicContact CD-CE 4.3Å; K463-M533 HydrophobicContact CG-CE 3.99Å; K463-M533 HydrophobicContact CG-SD 4.41Å; V466-M533 HydrophobicContact CB-SD 4.12Å; V466-M533 HydrophobicContact CG1-CG 3.95Å; V466-M533 HydrophobicContact CG1-SD 4.03Å; T467-M533 PolarHBondContact OG1-SD 2.92Å; D529-M533 WeakPolarHBondContact O-CB 3.24Å; D529-M533 PolarHBondContact O-N 3.42Å; R531-M533 PolarHBondContact O-N 3.3Å; M533-G537 PolarHBondContact O-N 2.72Å
534L92.1Very high88Confident0 Ų030.8 Ų30.80%016%0.158CC..Hα-helixtrans-68.8-41.6176.3-175.562.6000111.6V466 L470 L520 C523 L524 V530 R531 L532 G537 F538V466-L534 HydrophobicContact CG1-CB 4.41Å; V466-L534 HydrophobicContact CG1-CD1 4.34Å; L470-L534 HydrophobicContact CD2-CD1 4.28Å; L520-L534 HydrophobicContact CB-CD1 4.04Å; L520-L534 HydrophobicContact CD1-CD1 4.11Å; L520-L534 HydrophobicContact CD2-CD1 4.11Å; L520-L534 HydrophobicContact CG-CD1 4.32Å; C523-L534 HydrophobicContact CB-CD2 4.16Å; L524-L534 HydrophobicContact CD2-CD2 3.79Å; L524-L534 HydrophobicContact CG-CD2 4.03Å; V530-L534 PolarHBondContact O-N 2.95Å; R531-L534 WeakPolarHBondContact O-CB 3.27Å; R531-L534 PolarHBondContact O-N 3.2Å; R531-L534 VanDerWaalsContact O-N 3.08Å; L532-L534 VanDerWaalsContact C-N 3.26Å; L532-L534 PolarHBondContact O-N 3.42Å; L534-G537 PolarHBondContact O-N 2.99Å; L534-F538 HydrophobicContact CD1-CD1 4.09Å; L534-F538 HydrophobicContact CD1-CD2 4.46Å; L534-F538 HydrophobicContact CD1-CE1 3.59Å; L534-F538 HydrophobicContact CD1-CE2 4.03Å; L534-F538 HydrophobicContact CD1-CZ 3.57Å; L534-F538 HydrophobicContact CD2-CE2 3.85Å; L534-F538 HydrophobicContact CD2-CZ 3.79Å; L534-F538 HydrophobicContact CG-CD2 4.05Å; L534-F538 HydrophobicContact CG-CE1 4.12Å; L534-F538 HydrophobicContact CG-CE2 3.59Å; L534-F538 HydrophobicContact CG-CZ 3.63Å; L534-F538 WeakPolarHBondContact O-CG 3.28Å; L534-F538 PolarHBondContact O-N 2.97Å
535Y91.3Very high87.6Confident5 Ų530.4 Ų30.42%0.0216%0.156CC..Hα-helixtrans-64.9-46.1177.1-58.8-33.9000112.3L524 R531 L532 G537 F538 L556 Q559 E591 P592 H595 L596 C599L524-Y535 HydrophobicContact CD2-CE1 3.55Å; L524-Y535 WeakPolarHBondContact CD2-OH 3.21Å; R531-Y535 HydrophobicContact CB-CE2 3.91Å; R531-Y535 VanDerWaalsContact O-CD2 3.23Å; R531-Y535 WeakPolarHBondContact O-CD2 3.45Å; R531-Y535 VanDerWaalsContact O-CG 3.25Å; R531-Y535 PolarHBondContact O-N 2.97Å; L532-Y535 PolarHBondContact O-N 3.04Å; L532-Y535 VanDerWaalsContact O-N 3.15Å; Y535-G537 PolarHBondContact O-N 3.43Å; Y535-F538 PolarHBondContact O-N 3.23Å; Y535-L556 HydrophobicContact CD1-CD2 4.2Å; Y535-L556 HydrophobicContact CE1-CD2 4.36Å; Y535-Q559 PolarHBondContact OH-NE2 3.01Å; Y535-E591 PolarHBondContact OH-OE1 3.11Å; Y535-P592 HydrophobicContact CD2-CG 4.24Å; Y535-P592 HydrophobicContact CE2-CG 3.97Å; Y535-H595 HydrophobicContact CD2-CB 4.17Å; Y535-L596 HydrophobicContact CD1-CD1 4.21Å; Y535-L596 HydrophobicContact CD2-CB 4.26Å; Y535-L596 HydrophobicContact CE1-CB 4.41Å; Y535-L596 HydrophobicContact CE1-CD1 3.57Å; Y535-L596 HydrophobicContact CE2-CB 3.77Å; Y535-L596 HydrophobicContact CE2-CD1 4.44Å; Y535-C599 PolarHBondContact O-SG 3.42Å; Y535-C599 VanDerWaalsContact O-SG 3.33Å
536E85.3Confident87.2Confident82 Ų8231.8 Ų31.838%0.38316%0.157SC..Hα-helixtrans-59-36.8171.6-67.7-179.7161.400111.9L532L532-E536 HydrophobicContact CD2-CG 4.26Å; L532-E536 WeakPolarHBondContact CD2-OE1 3.44Å; L532-E536 PolarHBondContact O-N 3.04Å
537G86.8Confident86.7Confident4 Ų434.8 Ų34.84%0.04117%0.171CC..Hα-helixtrans-70.9-41.7-179.600000115.3M533 L534 Y535 Y539 D540 V541M533-G537 PolarHBondContact O-N 2.72Å; L534-G537 PolarHBondContact O-N 2.99Å; Y535-G537 PolarHBondContact O-N 3.43Å; G537-Y539 PolarHBondContact O-N 3.12Å; G537-D540 PolarHBondContact O-N 2.9Å; G537-V541 WeakPolarHBondContact O-CG2 3.42Å; G537-V541 PolarHBondContact O-N 2.93Å; G537-V541 VanDerWaalsContact O-N 3.1Å
538F90.6Very high86.4Confident1 Ų130.5 Ų30.50%0.00415%0.151CC..Hα-helixtrans-63-40.2-172.2-83.3-29.6000113L470 L517 L534 Y535 D540 V541 L542 I552 T555 L556L470-F538 HydrophobicContact CD2-CD1 4.48Å; L517-F538 HydrophobicContact CD2-CE1 3.95Å; L534-F538 HydrophobicContact CD1-CD1 4.09Å; L534-F538 HydrophobicContact CD1-CD2 4.46Å; L534-F538 HydrophobicContact CD1-CE1 3.59Å; L534-F538 HydrophobicContact CD1-CE2 4.03Å; L534-F538 HydrophobicContact CD1-CZ 3.57Å; L534-F538 HydrophobicContact CD2-CE2 3.85Å; L534-F538 HydrophobicContact CD2-CZ 3.79Å; L534-F538 HydrophobicContact CG-CD2 4.05Å; L534-F538 HydrophobicContact CG-CE1 4.12Å; L534-F538 HydrophobicContact CG-CE2 3.59Å; L534-F538 HydrophobicContact CG-CZ 3.63Å; L534-F538 WeakPolarHBondContact O-CG 3.28Å; L534-F538 PolarHBondContact O-N 2.97Å; Y535-F538 PolarHBondContact O-N 3.23Å; F538-D540 PolarHBondContact O-N 3.14Å; F538-V541 PolarHBondContact O-N 2.83Å; F538-L542 WeakPolarHBondContact O-CB 3.37Å; F538-L542 PolarHBondContact O-N 2.94Å; F538-I552 HydrophobicContact CB-CG2 3.91Å; F538-I552 HydrophobicContact CD1-CD1 4.37Å; F538-I552 HydrophobicContact CD1-CG1 4.17Å; F538-I552 HydrophobicContact CD1-CG2 4.2Å; F538-I552 HydrophobicContact CD2-CG2 4.28Å; F538-I552 HydrophobicContact CE1-CG1 4.42Å; F538-I552 HydrophobicContact CG-CG2 3.92Å; F538-T555 HydrophobicContact CE2-CG2 4.3Å; F538-T555 HydrophobicContact CZ-CG2 4.33Å; F538-L556 HydrophobicContact CD2-CD2 4.18Å
539Y87.1Confident86.1Confident27 Ų2730.3 Ų30.311%0.10615%0.15CC..Hα-helixtrans-58.5-49176.8178.9-106.9000111.9G537 V541 L542 R543 H602 W606 P795G537-Y539 PolarHBondContact O-N 3.12Å; Y539-V541 VanDerWaalsContact C-N 3.33Å; Y539-V541 PolarHBondContact O-N 3.4Å; Y539-L542 PolarHBondContact O-N 3.37Å; Y539-R543 HydrophobicContact CE2-CG 4.39Å; Y539-R543 VanDerWaalsContact CZ-CD 3.41Å; Y539-R543 VanDerWaalsContact O-CG 3.25Å; Y539-R543 WeakPolarHBondContact O-CG 3.16Å; Y539-R543 PolarHBondContact O-N 3.15Å; Y539-R543 PolarHBondContact OH-NE 2.95Å; Y539-H602 HydrophobicContact CD2-CB 3.62Å; Y539-H602 HydrophobicContact CE2-CB 3.62Å; Y539-H602 WeakPolarHBondContact CE2-O 3.31Å; Y539-H602 HydrophobicContact CG-CB 4.35Å; Y539-W606 HydrophobicContact CE2-CB 4.14Å; Y539-P795 HydrophobicContact CD1-CB 3.49Å; Y539-P795 VanDerWaalsContact CD1-CB 3.49Å; Y539-P795 HydrophobicContact CE1-CB 3.23Å; Y539-P795 HydrophobicContact CE1-CG 4.37Å; Y539-P795 HydrophobicContact CG-CB 4.4Å
540D83.1Confident85.9Confident20 Ų2027.9 Ų27.911%0.10714%0.14CC..Hα-helixtrans-65-33.3178.4-82.6-3.8000113.6K474 G537 F538K474-D540 HydrophobicContact CD-CB 3.94Å; K474-D540 HydrophobicContact CG-CB 4.39Å; K474-D540 IonicContact NZ-OD2 3.98Å; K474-D540 PolarHBondContact NZ-OD2 3.05Å; G537-D540 PolarHBondContact O-N 2.9Å; F538-D540 PolarHBondContact O-N 3.14Å
541V86.5Confident85.7Confident0 Ų029 Ų290%015%0.148CC..Hα-helixtrans-66.7-52.3175.1169.50000110.1L470 L473 K474 G537 F538 Y539 R543 R544 N545 L548 I552L470-V541 HydrophobicContact CD2-CG2 3.87Å; L473-V541 HydrophobicContact CB-CB 4.48Å; L473-V541 HydrophobicContact CB-CG1 3.75Å; L473-V541 HydrophobicContact CB-CG2 3.82Å; L473-V541 HydrophobicContact CD1-CG1 4.36Å; K474-V541 HydrophobicContact CG-CG2 3.8Å; G537-V541 WeakPolarHBondContact O-CG2 3.42Å; G537-V541 PolarHBondContact O-N 2.93Å; G537-V541 VanDerWaalsContact O-N 3.1Å; F538-V541 PolarHBondContact O-N 2.83Å; Y539-V541 VanDerWaalsContact C-N 3.33Å; Y539-V541 PolarHBondContact O-N 3.4Å; V541-R543 VanDerWaalsContact C-N 3.26Å; V541-R543 PolarHBondContact O-N 2.69Å; V541-R544 PolarHBondContact O-N 3.28Å; V541-N545 PolarHBondContact O-N 2.97Å; V541-L548 HydrophobicContact CG1-CD1 4.02Å; V541-I552 HydrophobicContact CB-CD1 4.37Å; V541-I552 HydrophobicContact CG1-CD1 3.87Å
542L86.6Confident85.6Confident1 Ų129 Ų291%0.00515%0.147CC..Hα-helixtrans-56.3-40.4-177.1-174.9154.9000111.7F538 Y539 R544 N545 S546 A549 I552 M553 C603 W606 L607F538-L542 WeakPolarHBondContact O-CB 3.37Å; F538-L542 PolarHBondContact O-N 2.94Å; Y539-L542 PolarHBondContact O-N 3.37Å; L542-R544 VanDerWaalsContact C-N 3.33Å; L542-R544 PolarHBondContact O-N 3.38Å; L542-N545 CarbonylContact O-C 3.56Å; L542-S546 WeakPolarHBondContact O-CA 3.45Å; L542-S546 PolarHBondContact O-N 2.89Å; L542-A549 HydrophobicContact CD1-CB 4.11Å; L542-A549 HydrophobicContact CG-CB 4.13Å; L542-I552 HydrophobicContact CB-CD1 4.19Å; L542-I552 HydrophobicContact CD1-CG2 4.34Å; L542-M553 HydrophobicContact CD1-CG 4.33Å; L542-M553 HydrophobicContact CD1-SD 4.32Å; L542-C603 HydrophobicContact CD1-CB 3.93Å; L542-W606 VanDerWaalsContact CD2-CD1 3.49Å; L542-W606 HydrophobicContact CD2-CG 4.38Å; L542-L607 HydrophobicContact CD1-CD1 4.42Å; L542-L607 HydrophobicContact CD2-CD2 4.05Å; L542-L607 HydrophobicContact CD2-CG 4.23Å
543R82.6Confident85.6Confident47 Ų4726.7 Ų26.718%0.17714%0.135CC..Hα-helixtrans-68.3-27.5178.5-66.617286.2-169.822.4114.8Y539 V541 W606 D796Y539-R543 HydrophobicContact CE2-CG 4.39Å; Y539-R543 VanDerWaalsContact CZ-CD 3.41Å; Y539-R543 VanDerWaalsContact O-CG 3.25Å; Y539-R543 WeakPolarHBondContact O-CG 3.16Å; Y539-R543 PolarHBondContact O-N 3.15Å; Y539-R543 PolarHBondContact OH-NE 2.95Å; V541-R543 VanDerWaalsContact C-N 3.26Å; V541-R543 PolarHBondContact O-N 2.69Å; R543-W606 HydrophobicContact CB-CZ2 4.36Å; R543-W606 HydrophobicContact CG-CD2 3.77Å; R543-W606 HydrophobicContact CG-CE3 4.33Å; R543-W606 HydrophobicContact CG-CG 4Å; R543-W606 HydrophobicContact CG-CZ2 4.2Å; R543-D796 IonicContact CZ-OD1 3.9Å; R543-D796 IonicContact CZ-OD2 2.96Å; R543-D796 IonicContact NH1-OD1 3.59Å; R543-D796 PolarHBondContact NH1-OD1 3.46Å; R543-D796 IonicContact NH1-OD2 3.89Å; R543-D796 PolarHBondContact NH1-OD2 2.91Å; R543-D796 IonicContact NH2-OD1 3.92Å; R543-D796 IonicContact NH2-OD2 3.7Å; R543-D796 PolarHBondContact NH2-OD2 3.42Å
544R80.3Confident85.7Confident106 Ų10630.6 Ų30.640%0.415%0.153SC..Hα-helixtrans-94.2-25.7179.6-69-171.7176.8-143-4.3112.7K474 N475 K477 V541 L542K474-R544 WeakPolarHBondContact O-CB 3.37Å; K474-R544 WeakPolarHBondContact O-CD 3.37Å; N475-R544 PolarHBondContact OD1-NH1 3.46Å; K477-R544 VanDerWaalsContact CE-O 3.31Å; K477-R544 WeakPolarHBondContact CE-O 3.36Å; V541-R544 PolarHBondContact O-N 3.28Å; L542-R544 VanDerWaalsContact C-N 3.33Å; L542-R544 PolarHBondContact O-N 3.38Å
545N80.6Confident85.7Confident4 Ų430.8 Ų30.82%0.02116%0.155CC..  trans-138.580.7-177.3-166.30.3000110F476 V541 L542 Q547 L548F476-N545 PolarHBondContact O-ND2 3.03Å; V541-N545 PolarHBondContact O-N 2.97Å; L542-N545 CarbonylContact O-C 3.56Å; N545-Q547 PolarHBondContact O-N 3.48Å; N545-L548 HydrophobicContact CB-CD1 4.26Å; N545-L548 HydrophobicContact CB-CG 4.43Å; N545-L548 WeakPolarHBondContact ND2-CD1 3.26Å; N545-L548 PolarHBondContact O-N 2.71Å; N545-L548 VanDerWaalsContact O-N 3.16Å
546S78.4Confident85.8Confident82 Ų8230.7 Ų30.757%0.57315%0.154SC*.G310 helixtrans-61.6-26.1-174.948.20000114L542 L548 A549L542-S546 WeakPolarHBondContact O-CA 3.45Å; L542-S546 PolarHBondContact O-N 2.89Å; S546-L548 PolarHBondContact O-N 3.24Å; S546-L548 VanDerWaalsContact O-N 3.15Å; S546-A549 WeakPolarHBondContact O-CB 3.43Å; S546-A549 PolarHBondContact O-N 3.17Å
547Q78Confident86.1Confident99 Ų9927.3 Ų27.346%0.46314%0.139SC..G310 helixtrans-65-17178-65.41768.200112.9V478 G480 N545 A549V478-Q547 PolarHBondContact O-OE1 3.25Å; G480-Q547 VanDerWaalsContact CA-NE2 3.29Å; N545-Q547 PolarHBondContact O-N 3.48Å; Q547-A549 VanDerWaalsContact C-N 3.34Å
548L83.6Confident86.4Confident2 Ų230.4 Ų30.41%0.0116%0.16CC..G310 helixtrans-87.5-1.5173.6-57.6-177.1000113.4L473 C513 L517 V541 N545 S546 S550 S551 I552L473-L548 HydrophobicContact CD2-CD1 3.89Å; C513-L548 HydrophobicContact CB-CD1 4.13Å; C513-L548 HydrophobicContact CB-CD2 3.74Å; L517-L548 HydrophobicContact CD1-CB 4.15Å; L517-L548 HydrophobicContact CD1-CD1 4.31Å; L517-L548 HydrophobicContact CD1-CD2 4.01Å; L517-L548 HydrophobicContact CD1-CG 4.37Å; V541-L548 HydrophobicContact CG1-CD1 4.02Å; N545-L548 HydrophobicContact CB-CD1 4.26Å; N545-L548 HydrophobicContact CB-CG 4.43Å; N545-L548 WeakPolarHBondContact ND2-CD1 3.26Å; N545-L548 PolarHBondContact O-N 2.71Å; N545-L548 VanDerWaalsContact O-N 3.16Å; S546-L548 PolarHBondContact O-N 3.24Å; S546-L548 VanDerWaalsContact O-N 3.15Å; L548-S550 PolarHBondContact O-N 3.42Å; L548-S551 PolarHBondContact O-N 2.79Å; L548-I552 HydrophobicContact CB-CD1 4.01Å; L548-I552 VanDerWaalsContact O-CG1 3.32Å; L548-I552 WeakPolarHBondContact O-CG1 3.34Å; L548-I552 PolarHBondContact O-N 3.36Å
549A84Confident86.5Confident5 Ų531 Ų314%0.04116%0.163CC..Hα-helixtrans-56.3-54.3-17500000112.5L542 S546 Q547 S551 I552 M553 L607L542-A549 HydrophobicContact CD1-CB 4.11Å; L542-A549 HydrophobicContact CG-CB 4.13Å; S546-A549 WeakPolarHBondContact O-CB 3.43Å; S546-A549 PolarHBondContact O-N 3.17Å; Q547-A549 VanDerWaalsContact C-N 3.34Å; A549-S551 PolarHBondContact O-N 2.97Å; A549-I552 PolarHBondContact O-N 3.01Å; A549-I552 VanDerWaalsContact O-N 3.13Å; A549-M553 WeakPolarHBondContact O-CB 3.44Å; A549-M553 VanDerWaalsContact O-CG 3.26Å; A549-M553 WeakPolarHBondContact O-CG 2.96Å; A549-M553 PolarHBondContact O-N 2.91Å; A549-L607 HydrophobicContact CB-CD1 4.26Å; A549-L607 HydrophobicContact CB-CD2 3.75Å
550S85.5Confident86.8Confident32 Ų3230 Ų3022%0.22416%0.159CC..Hα-helixtrans-55.5-49-179-173.40000112L548 I552 M553 Q554 D629L548-S550 PolarHBondContact O-N 3.42Å; S550-I552 PolarHBondContact O-N 2.95Å; S550-M553 PolarHBondContact O-N 2.91Å; S550-Q554 WeakPolarHBondContact O-CB 3.18Å; S550-Q554 VanDerWaalsContact O-CG 3.26Å; S550-Q554 WeakPolarHBondContact O-CG 3.32Å; S550-Q554 PolarHBondContact O-N 3.42Å; S550-Q554 PolarHBondContact OG-NE2 3.06Å; S550-D629 WeakPolarHBondContact CB-OD1 3.36Å
551S87.7Confident87.2Confident24 Ų2435.4 Ų35.417%0.16818%0.178CC..Hα-helixtrans-62.4-37.4177.1-82.70000114.2L514 L548 A549 T555L514-S551 WeakPolarHBondContact CD2-OG 3.33Å; L548-S551 PolarHBondContact O-N 2.79Å; A549-S551 PolarHBondContact O-N 2.97Å; S551-T555 WeakPolarHBondContact O-CB 3.18Å; S551-T555 PolarHBondContact O-N 3.49Å; S551-T555 PolarHBondContact O-OG1 3.33Å
552I90.6Very high87.5Confident0 Ų042.2 Ų42.20%020%0.204CC..Hα-helixtrans-71.2-44.2176.2-69168.7000110.3L517 F538 V541 L542 L548 A549 S550 T555 L556L517-I552 HydrophobicContact CD1-CG1 4.34Å; L517-I552 HydrophobicContact CD2-CD1 4.49Å; L517-I552 HydrophobicContact CD2-CG1 4Å; F538-I552 HydrophobicContact CB-CG2 3.91Å; F538-I552 HydrophobicContact CD1-CD1 4.37Å; F538-I552 HydrophobicContact CD1-CG1 4.17Å; F538-I552 HydrophobicContact CD1-CG2 4.2Å; F538-I552 HydrophobicContact CD2-CG2 4.28Å; F538-I552 HydrophobicContact CE1-CG1 4.42Å; F538-I552 HydrophobicContact CG-CG2 3.92Å; V541-I552 HydrophobicContact CB-CD1 4.37Å; V541-I552 HydrophobicContact CG1-CD1 3.87Å; L542-I552 HydrophobicContact CB-CD1 4.19Å; L542-I552 HydrophobicContact CD1-CG2 4.34Å; L548-I552 HydrophobicContact CB-CD1 4.01Å; L548-I552 VanDerWaalsContact O-CG1 3.32Å; L548-I552 WeakPolarHBondContact O-CG1 3.34Å; L548-I552 PolarHBondContact O-N 3.36Å; A549-I552 PolarHBondContact O-N 3.01Å; A549-I552 VanDerWaalsContact O-N 3.13Å; S550-I552 PolarHBondContact O-N 2.95Å; I552-T555 WeakPolarHBondContact O-CB 3.45Å; I552-T555 PolarHBondContact O-N 3.44Å; I552-L556 HydrophobicContact CG2-CD1 4Å; I552-L556 WeakPolarHBondContact O-CG 3.31Å; I552-L556 PolarHBondContact O-N 2.91Å
553M89.9Confident87.8Confident0 Ų042.3 Ų42.30%020%0.204CC..Hα-helixtrans-70-40.9-177.5-68.7-58.4-72.500112.7L542 A549 S550 T555 L556 L557 C603 L604 L607 Y632 L636L542-M553 HydrophobicContact CD1-CG 4.33Å; L542-M553 HydrophobicContact CD1-SD 4.32Å; A549-M553 WeakPolarHBondContact O-CB 3.44Å; A549-M553 VanDerWaalsContact O-CG 3.26Å; A549-M553 WeakPolarHBondContact O-CG 2.96Å; A549-M553 PolarHBondContact O-N 2.91Å; S550-M553 PolarHBondContact O-N 2.91Å; M553-T555 VanDerWaalsContact C-N 3.28Å; M553-T555 PolarHBondContact O-N 3.06Å; M553-L556 PolarHBondContact O-N 3.33Å; M553-L556 HydrophobicContact SD-CD1 4.12Å; M553-L557 WeakPolarHBondContact O-CB 3.42Å; M553-L557 PolarHBondContact O-N 2.59Å; M553-C603 HydrophobicContact CE-CB 4.4Å; M553-C603 HydrophobicContact SD-CB 3.48Å; M553-C603 WeakPolarHBondContact SD-CB 3.49Å; M553-L604 HydrophobicContact CE-CB 3.94Å; M553-L604 HydrophobicContact CE-CD1 4.21Å; M553-L607 HydrophobicContact CE-CD1 4.45Å; M553-L607 HydrophobicContact CG-CD1 3.78Å; M553-L607 HydrophobicContact SD-CD1 4.28Å; M553-Y632 HydrophobicContact CB-CD2 3.52Å; M553-Y632 HydrophobicContact CB-CE2 3.44Å; M553-Y632 VanDerWaalsContact CB-CE2 3.44Å; M553-Y632 HydrophobicContact CB-CG 4.42Å; M553-Y632 HydrophobicContact CG-CD2 4.27Å; M553-Y632 HydrophobicContact CG-CE2 3.82Å; M553-L636 HydrophobicContact CE-CD1 3.47Å; M553-L636 VanDerWaalsContact CE-CD1 3.47Å
554Q89.7Confident88.3Confident101 Ų10141.2 Ų41.247%0.47220%0.2SC..Hα-helixtrans-59.6-40.7170-71.4175.44.900111.5S550 L557 S558S550-Q554 WeakPolarHBondContact O-CB 3.18Å; S550-Q554 VanDerWaalsContact O-CG 3.26Å; S550-Q554 WeakPolarHBondContact O-CG 3.32Å; S550-Q554 PolarHBondContact O-N 3.42Å; S550-Q554 PolarHBondContact OG-NE2 3.06Å; Q554-L557 PolarHBondContact O-N 3.17Å; Q554-S558 WeakPolarHBondContact O-CB 3.38Å; Q554-S558 PolarHBondContact O-N 3.31Å; Q554-S558 PolarHBondContact O-OG 3.25Å
555T91.9Very high88.9Confident5 Ų537.7 Ų37.73%0.03119%0.188CC..Hα-helixtrans-62-47.8176-62.70000110.9R521 L524 F538 S551 I552 M553 S558 Q559R521-T555 HydrophobicContact CG-CG2 3.72Å; L524-T555 HydrophobicContact CD1-CG2 3.54Å; F538-T555 HydrophobicContact CE2-CG2 4.3Å; F538-T555 HydrophobicContact CZ-CG2 4.33Å; S551-T555 WeakPolarHBondContact O-CB 3.18Å; S551-T555 PolarHBondContact O-N 3.49Å; S551-T555 PolarHBondContact O-OG1 3.33Å; I552-T555 WeakPolarHBondContact O-CB 3.45Å; I552-T555 PolarHBondContact O-N 3.44Å; M553-T555 VanDerWaalsContact C-N 3.28Å; M553-T555 PolarHBondContact O-N 3.06Å; T555-S558 PolarHBondContact O-N 3.36Å; T555-S558 PolarHBondContact O-OG 2.86Å; T555-Q559 PolarHBondContact O-N 3.37Å
556L92.4Very high89.3Confident2 Ų241.6 Ų41.61%0.0121%0.214CC..Hα-helixtrans-63.1-44.8176.6-69.9169.8000112.2Y535 F538 I552 M553 S558 Q559 V560 L596 C603Y535-L556 HydrophobicContact CD1-CD2 4.2Å; Y535-L556 HydrophobicContact CE1-CD2 4.36Å; F538-L556 HydrophobicContact CD2-CD2 4.18Å; I552-L556 HydrophobicContact CG2-CD1 4Å; I552-L556 WeakPolarHBondContact O-CG 3.31Å; I552-L556 PolarHBondContact O-N 2.91Å; M553-L556 PolarHBondContact O-N 3.33Å; M553-L556 HydrophobicContact SD-CD1 4.12Å; L556-S558 VanDerWaalsContact C-N 3.35Å; L556-S558 PolarHBondContact O-N 3.31Å; L556-Q559 PolarHBondContact O-N 3.48Å; L556-V560 WeakPolarHBondContact O-CG2 3.15Å; L556-V560 PolarHBondContact O-N 3.01Å; L556-L596 HydrophobicContact CD2-CD1 3.74Å; L556-C603 HydrophobicContact CD1-CB 4.47Å
557L92.4Very high89.8Confident12 Ų1243.6 Ų43.66%0.06321%0.214CC..Hα-helixtrans-58.2-45.1175.7172.559.8000111.7M553 Q554 Q559 V560 R561 E635 L636 I639M553-L557 WeakPolarHBondContact O-CB 3.42Å; M553-L557 PolarHBondContact O-N 2.59Å; Q554-L557 PolarHBondContact O-N 3.17Å; L557-Q559 VanDerWaalsContact C-N 3.28Å; L557-Q559 PolarHBondContact O-N 3.34Å; L557-V560 PolarHBondContact O-N 2.83Å; L557-R561 HydrophobicContact CD1-CG 3.95Å; L557-R561 WeakPolarHBondContact O-CB 3.39Å; L557-R561 WeakPolarHBondContact O-CG 3.48Å; L557-R561 PolarHBondContact O-N 3.44Å; L557-E635 HydrophobicContact CD1-CG 4.41Å; L557-L636 HydrophobicContact CB-CD1 4.28Å; L557-L636 HydrophobicContact CB-CD2 3.99Å; L557-L636 HydrophobicContact CB-CG 4.17Å; L557-L636 HydrophobicContact CD1-CD2 3.61Å; L557-L636 HydrophobicContact CD1-CG 3.94Å; L557-L636 HydrophobicContact CG-CD2 4.37Å; L557-L636 HydrophobicContact CG-CG 4.49Å; L557-I639 HydrophobicContact CD1-CD1 3.82Å
558S92.3Very high90Very high69 Ų6946.3 Ų46.348%0.48323%0.227SC..Hα-helixtrans-61.9-36.1178.574.80000112.7Q554 T555 L556Q554-S558 WeakPolarHBondContact O-CB 3.38Å; Q554-S558 PolarHBondContact O-N 3.31Å; Q554-S558 PolarHBondContact O-OG 3.25Å; T555-S558 PolarHBondContact O-N 3.36Å; T555-S558 PolarHBondContact O-OG 2.86Å; L556-S558 VanDerWaalsContact C-N 3.35Å; L556-S558 PolarHBondContact O-N 3.31Å
559Q93.4Very high90Very high13 Ų1354 Ų546%0.06127%0.268CS..Hα-helixtrans-74.6-44.3175.6-170.277.5-8.800111.5Y535 T555 L556 L557 R561 R562 Y563 E591 L596Y535-Q559 PolarHBondContact OH-NE2 3.01Å; T555-Q559 PolarHBondContact O-N 3.37Å; L556-Q559 PolarHBondContact O-N 3.48Å; L557-Q559 VanDerWaalsContact C-N 3.28Å; L557-Q559 PolarHBondContact O-N 3.34Å; Q559-R561 PolarHBondContact O-N 2.67Å; Q559-R562 VanDerWaalsContact O-CB 3.29Å; Q559-R562 WeakPolarHBondContact O-CB 3.24Å; Q559-R562 PolarHBondContact O-N 3.11Å; Q559-R562 VanDerWaalsContact O-N 3.11Å; Q559-Y563 HydrophobicContact CG-CE2 4.06Å; Q559-Y563 VanDerWaalsContact O-CD2 3.23Å; Q559-Y563 WeakPolarHBondContact O-CD2 3.41Å; Q559-E591 WeakPolarHBondContact CG-OE1 3.42Å; Q559-E591 VanDerWaalsContact NE2-CD 3.3Å; Q559-E591 PolarHBondContact NE2-OE1 2.9Å; Q559-E591 PolarHBondContact NE2-OE2 2.9Å; Q559-E591 VanDerWaalsContact NE2-OE2 3.14Å; Q559-L596 HydrophobicContact CB-CD1 4.05Å; Q559-L596 HydrophobicContact CB-CD2 4.17Å; Q559-L596 HydrophobicContact CG-CD1 3.88Å; Q559-L596 HydrophobicContact CG-CD2 3.6Å; Q559-L596 HydrophobicContact CG-CG 4.39Å
560V93.2Very high90.1Very high6 Ų657.4 Ų57.44%0.03629%0.285CS..Hα-helixtrans-60.8-44.7178.61700000111.2L556 L557 R562 Y563 Y564 L596 I639L556-V560 WeakPolarHBondContact O-CG2 3.15Å; L556-V560 PolarHBondContact O-N 3.01Å; L557-V560 PolarHBondContact O-N 2.83Å; V560-R562 PolarHBondContact O-N 2.96Å; V560-R562 VanDerWaalsContact O-N 3.1Å; V560-Y563 PolarHBondContact O-N 3.25Å; V560-Y564 WeakPolarHBondContact O-CB 3.4Å; V560-Y564 PolarHBondContact O-N 3.28Å; V560-L596 HydrophobicContact CG2-CD1 4.17Å; V560-L596 HydrophobicContact CG2-CD2 3.77Å; V560-L596 HydrophobicContact CG2-CG 3.8Å; V560-I639 HydrophobicContact CG1-CG2 3.9Å
561R92.8Very high90.2Very high134 Ų13458.7 Ų58.751%0.50629%0.289SS..Hα-helixtrans-54.5-28.5175.5-79.5177.3174.2-179.81113.5L557 Q559 E635 I639L557-R561 HydrophobicContact CD1-CG 3.95Å; L557-R561 WeakPolarHBondContact O-CB 3.39Å; L557-R561 WeakPolarHBondContact O-CG 3.48Å; L557-R561 PolarHBondContact O-N 3.44Å; Q559-R561 PolarHBondContact O-N 2.67Å; R561-E635 IonicContact CZ-OE1 2.93Å; R561-E635 IonicContact CZ-OE2 3.78Å; R561-E635 IonicContact NE-OE1 2.68Å; R561-E635 PolarHBondContact NE-OE1 3.1Å; R561-E635 IonicContact NE-OE2 3.32Å; R561-E635 IonicContact NH2-OE1 3.53Å; R561-E635 PolarHBondContact NH2-OE1 2.98Å; R561-E635 IonicContact NH2-OE2 3.78Å; R561-E635 PolarHBondContact NH2-OE2 3.08Å; R561-I639 HydrophobicContact CG-CD1 4.37Å
562R92.5Very high90.3Very high143 Ų14359 Ų5954%0.5429%0.291SS..Hα-helixtrans-70.7-31.1179.4-174.9179176.2175.2-1113.3Q559 V560Q559-R562 VanDerWaalsContact O-CB 3.29Å; Q559-R562 WeakPolarHBondContact O-CB 3.24Å; Q559-R562 PolarHBondContact O-N 3.11Å; Q559-R562 VanDerWaalsContact O-N 3.11Å; V560-R562 PolarHBondContact O-N 2.96Å; V560-R562 VanDerWaalsContact O-N 3.1Å
563Y92.8Very high90.2Very high2 Ų259 Ų591%0.00829%0.291CS..Hα-helixtrans-108.6-2.2-177.3-53.4-84000113.1R531 Q559 V560 V574 K575 P578 E591 L593 L596R531-Y563 PolarHBondContact NH1-OH 3.32Å; Q559-Y563 HydrophobicContact CG-CE2 4.06Å; Q559-Y563 VanDerWaalsContact O-CD2 3.23Å; Q559-Y563 WeakPolarHBondContact O-CD2 3.41Å; V560-Y563 PolarHBondContact O-N 3.25Å; Y563-V574 CarbonylContact O-C 3.4Å; Y563-V574 WeakPolarHBondContact O-CA 3.41Å; Y563-K575 PolarHBondContact O-N 3.23Å; Y563-P578 HydrophobicContact CD1-CB 4.02Å; Y563-P578 HydrophobicContact CE1-CB 3.85Å; Y563-E591 HydrophobicContact CD1-CG 4.46Å; Y563-E591 HydrophobicContact CD2-CG 4.18Å; Y563-E591 HydrophobicContact CE1-CB 3.87Å; Y563-E591 HydrophobicContact CE1-CG 3.92Å; Y563-E591 HydrophobicContact CE2-CB 4.39Å; Y563-E591 HydrophobicContact CE2-CG 3.62Å; Y563-E591 WeakPolarHBondContact CE2-OE1 3.49Å; Y563-E591 VanDerWaalsContact CZ-CG 3.46Å; Y563-E591 PolarHBondContact OH-OE2 3.48Å; Y563-L593 HydrophobicContact CD2-CD1 4.24Å; Y563-L593 HydrophobicContact CG-CD1 4.07Å; Y563-L596 HydrophobicContact CD2-CD2 4.28Å
564Y93.3Very high90.3Very high25 Ų2559.2 Ų59.210%0.09829%0.292CS..BIsolated β-bridgetrans-90.3142.9174173.9-106.1000110.9V560 P566 I639 S642 M643 R646V560-Y564 WeakPolarHBondContact O-CB 3.4Å; V560-Y564 PolarHBondContact O-N 3.28Å; Y564-P566 HydrophobicContact CE1-CB 4.42Å; Y564-P566 WeakPolarHBondContact O-CD 3.44Å; Y564-I639 HydrophobicContact CD1-CG1 4.34Å; Y564-I639 HydrophobicContact CD1-CG2 4.37Å; Y564-I639 HydrophobicContact CD2-CG2 3.75Å; Y564-I639 HydrophobicContact CE1-CG1 4.12Å; Y564-I639 HydrophobicContact CE2-CG2 3.92Å; Y564-I639 HydrophobicContact CG-CG2 3.98Å; Y564-S642 VanDerWaalsContact OH-CB 3.23Å; Y564-S642 WeakPolarHBondContact OH-CB 3.16Å; Y564-S642 PolarHBondContact OH-OG 3.14Å; Y564-M643 HydrophobicContact CD2-CE 4.06Å; Y564-R646 VanDerWaalsContact CZ-NH2 3.25Å; Y564-R646 PolarHBondContact OH-NH2 3.43Å; Y564-R646 VanDerWaalsContact OH-NH2 3.1Å
565E92.8Very high90.4Very high32 Ų3257.8 Ų57.815%0.1528%0.284CS..  trans-94.5114.8170.2-169.571-88.200110.8E567 L570 P573 K575 R646E565-E567 VanDerWaalsContact C-N 3.33Å; E565-E567 HydrophobicContact CG-CB 4.19Å; E565-E567 PolarHBondContact O-N 3.31Å; E565-L570 HydrophobicContact CG-CB 4.14Å; E565-L570 HydrophobicContact CG-CD2 3.72Å; E565-L570 WeakPolarHBondContact OE2-CD2 3.34Å; E565-P573 PolarHBondContact N-O 3.42Å; E565-P573 VanDerWaalsContact N-O 3.07Å; E565-K575 WeakPolarHBondContact OE1-CE 3.23Å; E565-K575 IonicContact OE1-NZ 3.32Å; E565-K575 PolarHBondContact OE1-NZ 3.34Å; E565-K575 WeakPolarHBondContact OE2-CE 3.26Å; E565-K575 IonicContact OE2-NZ 3.53Å; E565-K575 PolarHBondContact OE2-NZ 2.97Å; E565-K575 VanDerWaalsContact OE2-NZ 3.13Å; E565-R646 PolarHBondContact O-NH1 3.47Å; E565-R646 PolarHBondContact O-NH2 2.74Å
566P88Confident90.3Very high86 Ų8658 Ų5856%0.55829%0.285SS*.  trans-68.5-23.8177.626.1-36.7000115Y564 Q568Y564-P566 HydrophobicContact CE1-CB 4.42Å; Y564-P566 WeakPolarHBondContact O-CD 3.44Å; P566-Q568 PolarHBondContact O-N 3.15Å
567E89.2Confident90.1Very high123 Ų12364.6 Ų64.658%0.57532%0.316SS*.  trans-65.8120.8178.1-64.2-173176.500110.6E565 D569 L570 R646E565-E567 VanDerWaalsContact C-N 3.33Å; E565-E567 HydrophobicContact CG-CB 4.19Å; E565-E567 PolarHBondContact O-N 3.31Å; E567-D569 PolarHBondContact O-N 2.74Å; E567-L570 HydrophobicContact CB-CB 4.11Å; E567-R646 PolarHBondContact O-NH1 2.76Å
568Q82.4Confident90Very high156 Ų15666.4 Ų66.473%0.72933%0.328SS*.THydrogen-bonded Turntrans-75.1-24.5-169.3-62.6-169.615.600114P566 R646P566-Q568 PolarHBondContact O-N 3.15Å; Q568-R646 WeakPolarHBondContact O-CD 3.44Å
569D82.8Confident89.9Confident165 Ų16563.1 Ų63.188%0.88231%0.305SS*.THydrogen-bonded Turntrans-93.2-9.4-179.6-61.8-48.9000112.9E567E567-D569 PolarHBondContact O-N 2.74Å
570L87.6Confident89.9Confident76 Ų7664.1 Ų64.140%0.39831%0.311SS..  trans-81129.8177.5-154.675000111E565 E567 R646E565-L570 HydrophobicContact CG-CB 4.14Å; E565-L570 HydrophobicContact CG-CD2 3.72Å; E565-L570 WeakPolarHBondContact OE2-CD2 3.34Å; E567-L570 HydrophobicContact CB-CB 4.11Å; L570-R646 PolarHBondContact O-NH1 3.36Å
571L87.1Confident89.8Confident59 Ų5965.6 Ų65.631%0.30932%0.32SS..SBendtrans-113.9141.9167.8-57.9179000108.3R646 K649L571-R646 HydrophobicContact CD2-CB 3.79Å; L571-R646 HydrophobicContact CD2-CG 4Å; L571-K649 HydrophobicContact CD1-CB 4.35Å
572P88.9Confident89.5Confident30 Ų3062.6 Ų62.620%0.19532%0.324CS..SBendcis-76.3159-4.931.9-34.6000112.8V574 D654 F655P572-V574 PolarHBondContact O-N 2.98Å; P572-V574 VanDerWaalsContact O-N 3.08Å; P572-D654 WeakPolarHBondContact CD-O 3.41Å; P572-F655 HydrophobicContact CB-CD1 3.85Å; P572-F655 HydrophobicContact CB-CE1 3.31Å; P572-F655 HydrophobicContact CB-CZ 3.8Å; P572-F655 HydrophobicContact CG-CD1 4.03Å; P572-F655 HydrophobicContact CG-CE1 3.97Å
573P89.8Confident89.1Confident0 Ų062 Ų620%033%0.327CS..SBendtrans-72-0.1-178.830.8-37.2000114.9E565 M643 R646 M647 C650E565-P573 PolarHBondContact N-O 3.42Å; E565-P573 VanDerWaalsContact N-O 3.07Å; P573-M643 HydrophobicContact CB-CG 4.48Å; P573-M643 HydrophobicContact CG-CG 4.24Å; P573-R646 HydrophobicContact CB-CB 3.77Å; P573-R646 VanDerWaalsContact CB-CZ 3.5Å; P573-R646 HydrophobicContact CG-CB 3.77Å; P573-M647 HydrophobicContact CG-CG 3.73Å; P573-M647 HydrophobicContact CG-SD 3.6Å; P573-C650 VanDerWaalsContact CD-SG 3.6Å
574V91.8Very high88.6Confident4 Ų465.3 Ų65.32%0.02436%0.361CS..BIsolated β-bridgetrans-133.4136.7-173-71.40000111.7Y563 P572 L576 L593 M643 M647 F655 L683Y563-V574 CarbonylContact O-C 3.4Å; Y563-V574 WeakPolarHBondContact O-CA 3.41Å; P572-V574 PolarHBondContact O-N 2.98Å; P572-V574 VanDerWaalsContact O-N 3.08Å; V574-L576 HydrophobicContact CG2-CD2 4.25Å; V574-L576 PolarHBondContact O-N 3.1Å; V574-L593 HydrophobicContact CB-CD2 4.12Å; V574-L593 HydrophobicContact CG1-CD2 4.36Å; V574-M643 HydrophobicContact CG1-CE 3.67Å; V574-M643 HydrophobicContact CG1-CG 4.33Å; V574-M643 HydrophobicContact CG1-SD 3.97Å; V574-M647 HydrophobicContact CG2-SD 4.36Å; V574-F655 HydrophobicContact CG2-CE1 4.39Å; V574-L683 HydrophobicContact CG1-CD1 4.35Å; V574-L683 HydrophobicContact CG2-CD1 4.03Å
575K91.5Very high87.9Confident71 Ų7171.1 Ų71.131%0.30939%0.394SS..  trans-86.499.4179.8-62.9178177.2175.90109.3Y563 E565 P578 C579Y563-K575 PolarHBondContact O-N 3.23Å; E565-K575 WeakPolarHBondContact OE1-CE 3.23Å; E565-K575 IonicContact OE1-NZ 3.32Å; E565-K575 PolarHBondContact OE1-NZ 3.34Å; E565-K575 WeakPolarHBondContact OE2-CE 3.26Å; E565-K575 IonicContact OE2-NZ 3.53Å; E565-K575 PolarHBondContact OE2-NZ 2.97Å; E565-K575 VanDerWaalsContact OE2-NZ 3.13Å; K575-P578 HydrophobicContact CB-CG 4.06Å; K575-P578 WeakPolarHBondContact O-CD 3.34Å; K575-C579 PolarHBondContact O-SG 3.1Å; K575-C579 VanDerWaalsContact O-SG 3.42Å
576L89.2Confident87.4Confident11 Ų1175.2 Ų75.26%0.05841%0.413CS..  trans-78.7-32.4-180-64.3-176.7000113.4V574 C579 L593 F655 F676 V680V574-L576 HydrophobicContact CG2-CD2 4.25Å; V574-L576 PolarHBondContact O-N 3.1Å; L576-C579 WeakPolarHBondContact O-CB 3.25Å; L576-C579 PolarHBondContact O-N 3.02Å; L576-L593 HydrophobicContact CD2-CD2 4.38Å; L576-F655 HydrophobicContact CD1-CD1 3.76Å; L576-F655 HydrophobicContact CD1-CE1 4.42Å; L576-F676 HydrophobicContact CB-CD1 4.12Å; L576-F676 HydrophobicContact CB-CD2 4.29Å; L576-F676 HydrophobicContact CB-CE1 3.83Å; L576-F676 HydrophobicContact CB-CE2 3.99Å; L576-F676 HydrophobicContact CB-CG 4.34Å; L576-F676 HydrophobicContact CB-CZ 3.77Å; L576-F676 HydrophobicContact CD1-CB 4.29Å; L576-F676 HydrophobicContact CD1-CD2 4.12Å; L576-F676 HydrophobicContact CD1-CG 4.11Å; L576-F676 WeakPolarHBondContact O-CE1 3.47Å; L576-V680 HydrophobicContact CD1-CG2 3.74Å; L576-V680 HydrophobicContact CD2-CG2 4.39Å
577E88.8Confident87.4Confident140 Ų14072.4 Ų72.465%0.65439%0.394SS*.G310 helixtrans-59.6-43.4-178.6-49.7-167.2123.700113.9C579 I580E577-C579 PolarHBondContact O-N 3.5Å; E577-I580 WeakPolarHBondContact O-CG1 3.46Å; E577-I580 PolarHBondContact O-N 3.3Å
578P90.3Very high87.3Confident50 Ų5071.8 Ų71.833%0.32539%0.388SS..G310 helixtrans-66.5-6.8175.1-20.935000114.3Y563 K575 I580Y563-P578 HydrophobicContact CD1-CB 4.02Å; Y563-P578 HydrophobicContact CE1-CB 3.85Å; K575-P578 HydrophobicContact CB-CG 4.06Å; K575-P578 WeakPolarHBondContact O-CD 3.34Å; P578-I580 VanDerWaalsContact C-N 3.34Å
579C90.9Very high87.7Confident0 Ų067.4 Ų67.40%037%0.369CS..G310 helixtrans-83.1-10.4176.3-57.50000113.1K575 L576 E577 Q590 E591 L679K575-C579 PolarHBondContact O-SG 3.1Å; K575-C579 VanDerWaalsContact O-SG 3.42Å; L576-C579 WeakPolarHBondContact O-CB 3.25Å; L576-C579 PolarHBondContact O-N 3.02Å; E577-C579 PolarHBondContact O-N 3.5Å; C579-Q590 WeakPolarHBondContact O-CA 3.25Å; C579-Q590 PolarHBondContact O-N 3.39Å; C579-E591 HydrophobicContact CB-CB 4.13Å; C579-E591 PolarHBondContact O-N 2.8Å; C579-L679 HydrophobicContact CB-CD1 3.84Å
580I92.4Very high88Confident33 Ų3362.1 Ų62.117%0.16934%0.339CS..EExtended strand (participates in β ladder)trans-120.3154.5-179.856.7167.6000112.4E577 P578 V587 Y588 K672 I675 F676E577-I580 WeakPolarHBondContact O-CG1 3.46Å; E577-I580 PolarHBondContact O-N 3.3Å; P578-I580 VanDerWaalsContact C-N 3.34Å; I580-V587 HydrophobicContact CB-CG1 4.22Å; I580-V587 HydrophobicContact CD1-CG1 4.28Å; I580-V587 HydrophobicContact CG2-CG1 4.37Å; I580-Y588 WeakPolarHBondContact CA-O 3.29Å; I580-K672 HydrophobicContact CD1-CD 4.17Å; I580-K672 HydrophobicContact CD1-CG 3.91Å; I580-I675 HydrophobicContact CG2-CG2 3.93Å; I580-F676 HydrophobicContact CD1-CE1 3.84Å; I580-F676 HydrophobicContact CD1-CZ 3.9Å; I580-F676 HydrophobicContact CG1-CE1 4.04Å; I580-F676 HydrophobicContact CG1-CZ 4.36Å; I580-F676 HydrophobicContact CG2-CD1 4.36Å; I580-F676 HydrophobicContact CG2-CE1 3.86Å
581T90.3Very high88.3Confident38 Ų3858.5 Ų58.523%0.23332%0.32CS..EExtended strand (participates in β ladder)trans-131.2126.5171.1460000110Y588 Q590T581-Y588 PolarHBondContact N-O 3.07Å; T581-Y588 PolarHBondContact O-N 3Å; T581-Q590 HydrophobicContact CG2-CB 3.9Å; T581-Q590 HydrophobicContact CG2-CG 3.78Å
582A86.8Confident88.6Confident71 Ų7155.9 Ų55.959%0.58731%0.306SS*.EExtended strand (participates in β ladder)trans-94.6130.2172.500000110.7
583H84.1Confident88.8Confident130 Ų13054.6 Ų54.660%0.60230%0.298SS*.EExtended strand (participates in β ladder)trans-124.394.8171.2-70.4-53.7000108.5Q586 Y588H583-Q586 PolarHBondContact N-O 3.41Å; H583-Q586 PolarHBondContact O-N 3.48Å; H583-Y588 HydrophobicContact CB-CE2 4.34Å
584G82.3Confident88.9Confident71 Ų7154.7 Ų54.773%0.73230%0.299SS*.THydrogen-bonded Turntrans62.4-136.5-166.700000110.7Q586G584-Q586 PolarHBondContact O-N 2.86Å
585D78.6Confident88.9Confident148 Ų14857.1 Ų57.179%0.79131%0.31SS*.THydrogen-bonded Turntrans-74.9-2.8179.2-61-35000114S668D585-S668 WeakPolarHBondContact O-CB 3.39Å
586Q82.4Confident89Confident117 Ų11753.7 Ų53.755%0.54730%0.295SS..EExtended strand (participates in β ladder)trans-101120-176.6-67.1179.4-26.600111.4H583 G584 Y588H583-Q586 PolarHBondContact N-O 3.41Å; H583-Q586 PolarHBondContact O-N 3.48Å; G584-Q586 PolarHBondContact O-N 2.86Å; Q586-Y588 HydrophobicContact CB-CD2 4.4Å; Q586-Y588 HydrophobicContact CB-CE2 3.59Å; Q586-Y588 PolarHBondContact OE1-OH 3.02Å
587V87.8Confident89.2Confident27 Ų2753.3 Ų53.316%0.16429%0.293CS..EExtended strand (participates in β ladder)trans-98126.6176.3-177.70000109.4I580 V671 K672 I675I580-V587 HydrophobicContact CB-CG1 4.22Å; I580-V587 HydrophobicContact CD1-CG1 4.28Å; I580-V587 HydrophobicContact CG2-CG1 4.37Å; V587-V671 HydrophobicContact CB-CG1 4.25Å; V587-K672 HydrophobicContact CG1-CB 4.38Å; V587-I675 HydrophobicContact CG1-CD1 4.25Å
588Y87.4Confident89.4Confident111 Ų11147.3 Ų47.344%0.43527%0.266SS..EExtended strand (participates in β ladder)trans-118.4144.6-179.9-64.4-83.1000111.4I580 T581 H583 Q586I580-Y588 WeakPolarHBondContact CA-O 3.29Å; T581-Y588 PolarHBondContact N-O 3.07Å; T581-Y588 PolarHBondContact O-N 3Å; H583-Y588 HydrophobicContact CB-CE2 4.34Å; Q586-Y588 HydrophobicContact CB-CD2 4.4Å; Q586-Y588 HydrophobicContact CB-CE2 3.59Å; Q586-Y588 PolarHBondContact OE1-OH 3.02Å
589L90.6Very high89.5Confident64 Ų6445.2 Ų45.234%0.33525%0.253SS..EExtended strand (participates in β ladder)trans-69.1128.7166.5-179.864.1000109.6A528 E591 P592 I675 L679A528-L589 HydrophobicContact CB-CB 4.46Å; A528-L589 HydrophobicContact CB-CD2 4.34Å; A528-L589 HydrophobicContact CB-CG 4.02Å; A528-L589 WeakPolarHBondContact CB-O 3.18Å; L589-E591 VanDerWaalsContact CD1-O 3.29Å; L589-E591 WeakPolarHBondContact CD1-O 3Å; L589-P592 HydrophobicContact CD2-CB 4.44Å; L589-I675 HydrophobicContact CB-CG2 4.39Å; L589-I675 HydrophobicContact CD1-CG2 3.75Å; L589-L679 HydrophobicContact CD1-CD1 3.97Å; L589-L679 HydrophobicContact CD1-CD2 4.21Å; L589-L679 HydrophobicContact CD1-CG 4.38Å
590Q90.6Very high89.5Confident54 Ų5445.3 Ų45.325%0.25225%0.253SS..  trans-108.5-45.3176.9-156-162.819.300112.2A528 R531 C579 T581A528-Q590 WeakPolarHBondContact CA-O 3.29Å; A528-Q590 WeakPolarHBondContact CB-O 3.36Å; R531-Q590 VanDerWaalsContact CZ-O 3.29Å; R531-Q590 PolarHBondContact NE-O 3.49Å; R531-Q590 PolarHBondContact NH1-O 2.87Å; C579-Q590 WeakPolarHBondContact O-CA 3.25Å; C579-Q590 PolarHBondContact O-N 3.39Å; T581-Q590 HydrophobicContact CG2-CB 3.9Å; T581-Q590 HydrophobicContact CG2-CG 3.78Å
591E93.4Very high89.5Confident0 Ų043.8 Ų43.80%025%0.245CC..  trans-115.6116.6176.7-174.573173.600110.8R531 Y535 Q559 Y563 C579 L589 L593R531-E591 WeakPolarHBondContact CD-OE2 3.39Å; R531-E591 IonicContact CZ-OE2 2.7Å; R531-E591 IonicContact NE-OE2 3.52Å; R531-E591 IonicContact NH1-OE2 3.29Å; R531-E591 PolarHBondContact NH1-OE2 2.96Å; Y535-E591 PolarHBondContact OH-OE1 3.11Å; Q559-E591 WeakPolarHBondContact CG-OE1 3.42Å; Q559-E591 VanDerWaalsContact NE2-CD 3.3Å; Q559-E591 PolarHBondContact NE2-OE1 2.9Å; Q559-E591 PolarHBondContact NE2-OE2 2.9Å; Q559-E591 VanDerWaalsContact NE2-OE2 3.14Å; Y563-E591 HydrophobicContact CD1-CG 4.46Å; Y563-E591 HydrophobicContact CD2-CG 4.18Å; Y563-E591 HydrophobicContact CE1-CB 3.87Å; Y563-E591 HydrophobicContact CE1-CG 3.92Å; Y563-E591 HydrophobicContact CE2-CB 4.39Å; Y563-E591 HydrophobicContact CE2-CG 3.62Å; Y563-E591 WeakPolarHBondContact CE2-OE1 3.49Å; Y563-E591 VanDerWaalsContact CZ-CG 3.46Å; Y563-E591 PolarHBondContact OH-OE2 3.48Å; C579-E591 HydrophobicContact CB-CB 4.13Å; C579-E591 PolarHBondContact O-N 2.8Å; L589-E591 VanDerWaalsContact CD1-O 3.29Å; L589-E591 WeakPolarHBondContact CD1-O 3Å; E591-L593 HydrophobicContact CG-CB 4.34Å; E591-L593 PolarHBondContact O-N 3.25Å
592P92.4Very high89.4Confident3 Ų342.7 Ų42.72%0.01924%0.238CC..  trans-77.768.6170.633.5-32.7000109.6R531 L532 Y535 L589 A594 H595 L596R531-P592 HydrophobicContact CB-CG 4.35Å; L532-P592 HydrophobicContact CB-CG 4.16Å; Y535-P592 HydrophobicContact CD2-CG 4.24Å; Y535-P592 HydrophobicContact CE2-CG 3.97Å; L589-P592 HydrophobicContact CD2-CB 4.44Å; P592-A594 VanDerWaalsContact C-N 3.27Å; P592-A594 PolarHBondContact O-N 2.74Å; P592-A594 VanDerWaalsContact O-N 3.13Å; P592-H595 HydrophobicContact CB-CB 4.23Å; P592-H595 WeakPolarHBondContact O-CA 3.29Å; P592-H595 WeakPolarHBondContact O-CB 3.15Å; P592-H595 PolarHBondContact O-N 2.61Å; P592-L596 PolarHBondContact O-N 3.07Å
593L93.4Very high89.6Confident4 Ų439.3 Ų39.32%0.02121%0.21CC..Hα-helixtrans-51.9-40.5-169.1179.259000113.6Y563 V574 L576 E591 H595 L596 V597 L679 L683Y563-L593 HydrophobicContact CD2-CD1 4.24Å; Y563-L593 HydrophobicContact CG-CD1 4.07Å; V574-L593 HydrophobicContact CB-CD2 4.12Å; V574-L593 HydrophobicContact CG1-CD2 4.36Å; L576-L593 HydrophobicContact CD2-CD2 4.38Å; E591-L593 HydrophobicContact CG-CB 4.34Å; E591-L593 PolarHBondContact O-N 3.25Å; L593-H595 VanDerWaalsContact C-N 3.3Å; L593-H595 PolarHBondContact O-N 3.43Å; L593-L596 HydrophobicContact CD1-CD2 4.14Å; L593-L596 WeakPolarHBondContact O-CB 3.28Å; L593-L596 PolarHBondContact O-N 2.81Å; L593-V597 HydrophobicContact CD1-CG2 4.33Å; L593-V597 WeakPolarHBondContact O-CG2 3.49Å; L593-V597 PolarHBondContact O-N 3.46Å; L593-L679 HydrophobicContact CB-CD2 4.32Å; L593-L683 HydrophobicContact CD2-CD1 4.04Å; L593-L683 HydrophobicContact CG-CD1 4.36Å; L593-L683 HydrophobicContact CG-CD2 4.39Å
594A91Very high89.8Confident2 Ų233.2 Ų33.22%0.01718%0.182CC..Hα-helixtrans-62.3-34.4176.200000113.2P592 S598 L683 L737P592-A594 VanDerWaalsContact C-N 3.27Å; P592-A594 PolarHBondContact O-N 2.74Å; P592-A594 VanDerWaalsContact O-N 3.13Å; A594-S598 VanDerWaalsContact O-CB 3.29Å; A594-S598 WeakPolarHBondContact O-CB 3.4Å; A594-S598 PolarHBondContact O-N 2.94Å; A594-L683 HydrophobicContact CB-CG 4.26Å; A594-L737 HydrophobicContact CB-CD1 3.44Å; A594-L737 VanDerWaalsContact CB-CD1 3.44Å
595H92.1Very high89.9Confident54 Ų5430.5 Ų30.525%0.2515%0.151CC..Hα-helixtrans-75.2-33.3176.5-63.268.5000112Y535 P592 L593 S598 C599Y535-H595 HydrophobicContact CD2-CB 4.17Å; P592-H595 HydrophobicContact CB-CB 4.23Å; P592-H595 WeakPolarHBondContact O-CA 3.29Å; P592-H595 WeakPolarHBondContact O-CB 3.15Å; P592-H595 PolarHBondContact O-N 2.61Å; L593-H595 VanDerWaalsContact C-N 3.3Å; L593-H595 PolarHBondContact O-N 3.43Å; H595-S598 PolarHBondContact O-N 3.2Å; H595-C599 WeakPolarHBondContact O-CB 3.05Å; H595-C599 PolarHBondContact O-N 3Å
596L94.4Very high90.2Very high0 Ų027.4 Ų27.40%013%0.128CC..Hα-helixtrans-58.8-55170.4170.467.4000109.9Y535 L556 Q559 V560 Y563 P592 L593 S598 C599 T600Y535-L596 HydrophobicContact CD1-CD1 4.21Å; Y535-L596 HydrophobicContact CD2-CB 4.26Å; Y535-L596 HydrophobicContact CE1-CB 4.41Å; Y535-L596 HydrophobicContact CE1-CD1 3.57Å; Y535-L596 HydrophobicContact CE2-CB 3.77Å; Y535-L596 HydrophobicContact CE2-CD1 4.44Å; L556-L596 HydrophobicContact CD2-CD1 3.74Å; Q559-L596 HydrophobicContact CB-CD1 4.05Å; Q559-L596 HydrophobicContact CB-CD2 4.17Å; Q559-L596 HydrophobicContact CG-CD1 3.88Å; Q559-L596 HydrophobicContact CG-CD2 3.6Å; Q559-L596 HydrophobicContact CG-CG 4.39Å; V560-L596 HydrophobicContact CG2-CD1 4.17Å; V560-L596 HydrophobicContact CG2-CD2 3.77Å; V560-L596 HydrophobicContact CG2-CG 3.8Å; Y563-L596 HydrophobicContact CD2-CD2 4.28Å; P592-L596 PolarHBondContact O-N 3.07Å; L593-L596 HydrophobicContact CD1-CD2 4.14Å; L593-L596 WeakPolarHBondContact O-CB 3.28Å; L593-L596 PolarHBondContact O-N 2.81Å; L596-S598 VanDerWaalsContact C-N 3.29Å; L596-S598 PolarHBondContact O-N 3.4Å; L596-C599 PolarHBondContact O-N 2.95Å; L596-T600 PolarHBondContact O-N 3.39Å; L596-T600 PolarHBondContact O-OG1 2.91Å; L596-T600 VanDerWaalsContact O-OG1 3.04Å
597V93.4Very high90.3Very high2 Ų222.4 Ų22.41%0.01211%0.105CC..Hα-helixtrans-62.4-37.9-179.6-1780000110.8L593 T600 V601 L640 L683 V686L593-V597 HydrophobicContact CD1-CG2 4.33Å; L593-V597 WeakPolarHBondContact O-CG2 3.49Å; L593-V597 PolarHBondContact O-N 3.46Å; V597-T600 PolarHBondContact O-N 3.31Å; V597-V601 HydrophobicContact CG1-CG2 4.35Å; V597-V601 WeakPolarHBondContact O-CB 3.38Å; V597-V601 WeakPolarHBondContact O-CG2 3.49Å; V597-V601 PolarHBondContact O-N 3.23Å; V597-L640 HydrophobicContact CG1-CD2 3.77Å; V597-L683 HydrophobicContact CB-CD2 4.05Å; V597-L683 HydrophobicContact CG1-CD2 4.43Å; V597-L683 HydrophobicContact CG2-CD2 3.73Å; V597-V686 HydrophobicContact CB-CG1 4.27Å; V597-V686 HydrophobicContact CG1-CG1 3.77Å
598S92.4Very high90Very high14 Ų1423 Ų2310%0.09811%0.106CC..Hα-helixtrans-58.1-50.7173.8-173.40000111.9A594 H595 L596 T600 V601 H602A594-S598 VanDerWaalsContact O-CB 3.29Å; A594-S598 WeakPolarHBondContact O-CB 3.4Å; A594-S598 PolarHBondContact O-N 2.94Å; H595-S598 PolarHBondContact O-N 3.2Å; L596-S598 VanDerWaalsContact C-N 3.29Å; L596-S598 PolarHBondContact O-N 3.4Å; S598-T600 PolarHBondContact O-N 2.94Å; S598-V601 PolarHBondContact O-N 3.34Å; S598-H602 PolarHBondContact O-N 2.87Å; S598-H602 PolarHBondContact O-ND1 2.87Å; S598-H602 PolarHBondContact OG-CE1 2.79Å; S598-H602 VanDerWaalsContact OG-CE1 3.23Å; S598-H602 PolarHBondContact OG-ND1 3.46Å
599C92.6Very high89.5Confident6 Ų621.7 Ų21.74%0.04111%0.107CC..Hα-helixtrans-60.6-43.3176.4174.10000112.1Y535 H595 L596 H602 C603Y535-C599 PolarHBondContact O-SG 3.42Å; Y535-C599 VanDerWaalsContact O-SG 3.33Å; H595-C599 WeakPolarHBondContact O-CB 3.05Å; H595-C599 PolarHBondContact O-N 3Å; L596-C599 PolarHBondContact O-N 2.95Å; C599-H602 PolarHBondContact O-N 2.96Å; C599-C603 VanDerWaalsContact O-CB 3.28Å; C599-C603 WeakPolarHBondContact O-CB 3.35Å; C599-C603 PolarHBondContact O-N 3Å; C599-C603 PolarHBondContact O-SG 2.78Å
600T92.1Very high88.7Confident2 Ų221.7 Ų21.71%0.01211%0.11CC..Hα-helixtrans-58.9-48.7174.8-53.90000111.5L596 V597 S598 L604 L636L596-T600 PolarHBondContact O-N 3.39Å; L596-T600 PolarHBondContact O-OG1 2.91Å; L596-T600 VanDerWaalsContact O-OG1 3.04Å; V597-T600 PolarHBondContact O-N 3.31Å; S598-T600 PolarHBondContact O-N 2.94Å; T600-L604 WeakPolarHBondContact O-CB 3.37Å; T600-L604 PolarHBondContact O-N 3.07Å; T600-L636 HydrophobicContact CG2-CD1 3.91Å; T600-L636 HydrophobicContact CG2-CD2 3.7Å; T600-L636 HydrophobicContact CG2-CG 4.31Å
601V90.9Very high87.4Confident1 Ų122.3 Ų22.31%0.00611%0.112CC..Hα-helixtrans-58.3-53.3177.8161.20000110.9V597 S598 C603 L604 T605 L640 V686 Y690V597-V601 HydrophobicContact CG1-CG2 4.35Å; V597-V601 WeakPolarHBondContact O-CB 3.38Å; V597-V601 WeakPolarHBondContact O-CG2 3.49Å; V597-V601 PolarHBondContact O-N 3.23Å; S598-V601 PolarHBondContact O-N 3.34Å; V601-C603 PolarHBondContact O-N 2.99Å; V601-L604 PolarHBondContact O-N 3.38Å; V601-T605 WeakPolarHBondContact O-CB 3.37Å; V601-T605 PolarHBondContact O-N 3.01Å; V601-T605 PolarHBondContact O-OG1 3.48Å; V601-L640 HydrophobicContact CG2-CD1 4.03Å; V601-L640 HydrophobicContact CG2-CD2 4.01Å; V601-V686 HydrophobicContact CB-CG1 4.38Å; V601-V686 HydrophobicContact CG2-CG1 3.97Å; V601-Y690 HydrophobicContact CB-CD2 4.41Å; V601-Y690 HydrophobicContact CG1-CD2 3.95Å; V601-Y690 HydrophobicContact CG1-CG 4.45Å; V601-Y690 HydrophobicContact CG2-CD2 3.8Å; V601-Y690 HydrophobicContact CG2-CG 4.09Å
602H89.3Confident85.7Confident16 Ų1628.2 Ų28.27%0.07414%0.14CC..Hα-helixtrans-63.7-41.8-176.8-65.8145.7000112.4Y539 S598 C599 W606 E689Y539-H602 HydrophobicContact CD2-CB 3.62Å; Y539-H602 HydrophobicContact CE2-CB 3.62Å; Y539-H602 WeakPolarHBondContact CE2-O 3.31Å; Y539-H602 HydrophobicContact CG-CB 4.35Å; S598-H602 PolarHBondContact O-N 2.87Å; S598-H602 PolarHBondContact O-ND1 2.87Å; S598-H602 PolarHBondContact OG-CE1 2.79Å; S598-H602 VanDerWaalsContact OG-CE1 3.23Å; S598-H602 PolarHBondContact OG-ND1 3.46Å; C599-H602 PolarHBondContact O-N 2.96Å; H602-W606 WeakPolarHBondContact O-CB 3.43Å; H602-W606 PolarHBondContact O-N 3.3Å; H602-E689 IonicContact CD2-OE1 3.72Å; H602-E689 IonicContact CE1-OE1 2.73Å; H602-E689 IonicContact NE2-OE1 2.74Å; H602-E689 PolarHBondContact NE2-OE1 3.15Å; H602-E689 IonicContact NE2-OE2 3.92Å
603C89.8Confident84Confident0 Ų030.8 Ų30.80%016%0.161CC..Hα-helixtrans-64.1-44.9175.1-710000112.3L542 M553 L556 C599 V601 W606 L607L542-C603 HydrophobicContact CD1-CB 3.93Å; M553-C603 HydrophobicContact CE-CB 4.4Å; M553-C603 HydrophobicContact SD-CB 3.48Å; M553-C603 WeakPolarHBondContact SD-CB 3.49Å; L556-C603 HydrophobicContact CD1-CB 4.47Å; C599-C603 VanDerWaalsContact O-CB 3.28Å; C599-C603 WeakPolarHBondContact O-CB 3.35Å; C599-C603 PolarHBondContact O-N 3Å; C599-C603 PolarHBondContact O-SG 2.78Å; V601-C603 PolarHBondContact O-N 2.99Å; C603-W606 PolarHBondContact O-N 2.99Å; C603-L607 WeakPolarHBondContact O-CG 3.22Å; C603-L607 PolarHBondContact O-N 3.08Å; C603-L607 VanDerWaalsContact O-N 3.08Å
604L88.1Confident82.1Confident2 Ų232.9 Ų32.91%0.0118%0.179CC..Hα-helixtrans-64.2-45.3-179.7-176.9123.4000112M553 T600 V601 L607 Q608 L636 Q637 L640 Y690M553-L604 HydrophobicContact CE-CB 3.94Å; M553-L604 HydrophobicContact CE-CD1 4.21Å; T600-L604 WeakPolarHBondContact O-CB 3.37Å; T600-L604 PolarHBondContact O-N 3.07Å; V601-L604 PolarHBondContact O-N 3.38Å; L604-L607 PolarHBondContact O-N 3.22Å; L604-Q608 VanDerWaalsContact CG-NE2 3.34Å; L604-Q608 WeakPolarHBondContact O-CG 3.47Å; L604-Q608 PolarHBondContact O-N 3.01Å; L604-Q608 VanDerWaalsContact O-N 3.14Å; L604-L636 HydrophobicContact CD1-CB 3.56Å; L604-L636 HydrophobicContact CD1-CD1 4.21Å; L604-Q637 HydrophobicContact CD1-CG 4.37Å; L604-Q637 HydrophobicContact CD2-CG 4.19Å; L604-L640 HydrophobicContact CD2-CD1 4.37Å; L604-Y690 HydrophobicContact CD2-CE2 4Å
605T85.6Confident80Confident13 Ų1338.6 Ų38.68%0.0821%0.209CC..Hα-helixtrans-62.2-42.6173.6-68.10000111.9V601 L607 Q608 N609 I693V601-T605 WeakPolarHBondContact O-CB 3.37Å; V601-T605 PolarHBondContact O-N 3.01Å; V601-T605 PolarHBondContact O-OG1 3.48Å; T605-L607 PolarHBondContact O-N 3.3Å; T605-Q608 PolarHBondContact O-N 3.25Å; T605-N609 VanDerWaalsContact O-CG 3.26Å; T605-N609 PolarHBondContact O-N 3.26Å; T605-N609 PolarHBondContact O-OD1 3.17Å; T605-I693 HydrophobicContact CG2-CG2 3.72Å
606W85.1Confident78Confident83 Ų8343 Ų4331%0.31423%0.234SC..Hα-helixtrans-62-43179.2177.2-90.9000112.1Y539 L542 R543 H602 C603 T610Y539-W606 HydrophobicContact CE2-CB 4.14Å; L542-W606 VanDerWaalsContact CD2-CD1 3.49Å; L542-W606 HydrophobicContact CD2-CG 4.38Å; R543-W606 HydrophobicContact CB-CZ2 4.36Å; R543-W606 HydrophobicContact CG-CD2 3.77Å; R543-W606 HydrophobicContact CG-CE3 4.33Å; R543-W606 HydrophobicContact CG-CG 4Å; R543-W606 HydrophobicContact CG-CZ2 4.2Å; H602-W606 WeakPolarHBondContact O-CB 3.43Å; H602-W606 PolarHBondContact O-N 3.3Å; C603-W606 PolarHBondContact O-N 2.99Å; W606-T610 PolarHBondContact NE1-OG1 3.42Å; W606-T610 WeakPolarHBondContact O-CB 3.4Å; W606-T610 PolarHBondContact O-N 2.97Å; W606-T610 PolarHBondContact O-OG1 3.18Å
607L83.3Confident75.6Confident13 Ų1349.6 Ų49.67%0.06827%0.269CS..Hα-helixtrans-61.5-49.1176.1-69.9170.6000111.3L542 A549 M553 C603 L604 T605 N609 T610 H611L542-L607 HydrophobicContact CD1-CD1 4.42Å; L542-L607 HydrophobicContact CD2-CD2 4.05Å; L542-L607 HydrophobicContact CD2-CG 4.23Å; A549-L607 HydrophobicContact CB-CD1 4.26Å; A549-L607 HydrophobicContact CB-CD2 3.75Å; M553-L607 HydrophobicContact CE-CD1 4.45Å; M553-L607 HydrophobicContact CG-CD1 3.78Å; M553-L607 HydrophobicContact SD-CD1 4.28Å; C603-L607 WeakPolarHBondContact O-CG 3.22Å; C603-L607 PolarHBondContact O-N 3.08Å; C603-L607 VanDerWaalsContact O-N 3.08Å; L604-L607 PolarHBondContact O-N 3.22Å; T605-L607 PolarHBondContact O-N 3.3Å; L607-N609 PolarHBondContact O-N 3.24Å; L607-T610 PolarHBondContact O-N 2.89Å; L607-H611 PolarHBondContact O-CD2 3.42Å; L607-H611 VanDerWaalsContact O-CD2 3.23Å; L607-H611 PolarHBondContact O-N 3.04Å
608Q81.6Confident73.2Confident38 Ų3855 Ų5518%0.17830%0.302CS..Hα-helixtrans-56.6-47.9179-73.5160.712.500112.4L604 T605 T610 H611 Q612L604-Q608 VanDerWaalsContact CG-NE2 3.34Å; L604-Q608 WeakPolarHBondContact O-CG 3.47Å; L604-Q608 PolarHBondContact O-N 3.01Å; L604-Q608 VanDerWaalsContact O-N 3.14Å; T605-Q608 PolarHBondContact O-N 3.25Å; Q608-T610 VanDerWaalsContact C-N 3.25Å; Q608-T610 PolarHBondContact O-N 3.37Å; Q608-H611 PolarHBondContact O-N 3.49Å; Q608-Q612 WeakPolarHBondContact O-CG 3.28Å; Q608-Q612 PolarHBondContact O-N 3.34Å
609N77.6Confident70.7Confident84 Ų8461.6 Ų61.645%0.44934%0.336SS..Hα-helixtrans-65.6-29.7178.5-65.3-2.3000112.3T605 L607 A613T605-N609 VanDerWaalsContact O-CG 3.26Å; T605-N609 PolarHBondContact O-N 3.26Å; T605-N609 PolarHBondContact O-OD1 3.17Å; L607-N609 PolarHBondContact O-N 3.24Å; N609-A613 PolarHBondContact O-N 3.24Å
610T73.3Confident68.5Low65 Ų6568.4 Ų68.440%0.39937%0.372SS..Hα-helixtrans-75.4-44.2177.8-53.30000111.5W606 L607 Q608 A613 A614W606-T610 PolarHBondContact NE1-OG1 3.42Å; W606-T610 WeakPolarHBondContact O-CB 3.4Å; W606-T610 PolarHBondContact O-N 2.97Å; W606-T610 PolarHBondContact O-OG1 3.18Å; L607-T610 PolarHBondContact O-N 2.89Å; Q608-T610 VanDerWaalsContact C-N 3.25Å; Q608-T610 PolarHBondContact O-N 3.37Å; T610-A613 PolarHBondContact O-N 3.05Å; T610-A614 PolarHBondContact O-N 3Å; T610-A614 VanDerWaalsContact O-N 3.09Å
611H63.4Low66.2Low66 Ų6672.8 Ų72.831%0.30640%0.403SS..Hα-helixtrans-62.8-42174.8-77-82000111.6L607 Q608 A613 A614 N615 K633L607-H611 PolarHBondContact O-CD2 3.42Å; L607-H611 VanDerWaalsContact O-CD2 3.23Å; L607-H611 PolarHBondContact O-N 3.04Å; Q608-H611 PolarHBondContact O-N 3.49Å; H611-A613 PolarHBondContact O-N 2.97Å; H611-A614 PolarHBondContact O-N 2.87Å; H611-N615 PolarHBondContact O-N 3.46Å; H611-N615 PolarHBondContact O-OD1 3.07Å; H611-K633 PolarHBondContact NE2-NZ 3.15Å
612Q58.5Low63.7Low125 Ų12579.8 Ų79.858%0.58444%0.44SS*.Hα-helixtrans-60.8-31.4175.6-73.4173.54.900113.5Q608Q608-Q612 WeakPolarHBondContact O-CG 3.28Å; Q608-Q612 PolarHBondContact O-N 3.34Å
613A55.3Low61.5Low57 Ų5784.9 Ų84.947%0.47147%0.468SS..Hα-helixtrans-79.8-24.5174.900000113.4N609 T610 H611 N617N609-A613 PolarHBondContact O-N 3.24Å; T610-A613 PolarHBondContact O-N 3.05Å; H611-A613 PolarHBondContact O-N 2.97Å; A613-N617 PolarHBondContact O-ND2 3.14Å
614A53.4Low59.2Low47 Ų4794.3 Ų94.339%0.38851%0.512SS..Hα-helixtrans-76.9-45.1175.400000111.7T610 H611 L616 N617T610-A614 PolarHBondContact O-N 3Å; T610-A614 VanDerWaalsContact O-N 3.09Å; H611-A614 PolarHBondContact O-N 2.87Å; A614-L616 PolarHBondContact O-N 3.09Å; A614-N617 PolarHBondContact O-N 3.22Å
615N48.3Very low56.9Low122 Ų12298.6 Ų98.665%0.65255%0.548SS*.THydrogen-bonded Turntrans-68.3-3.6-178.6-6625.9000114.1H611H611-N615 PolarHBondContact O-N 3.46Å; H611-N615 PolarHBondContact O-OD1 3.07Å
616L49.9Very low55Low148 Ų148103.7 Ų103.778%0.77557%0.571SS**THydrogen-bonded Turntrans-88.6-4.2169.4-73.1168.8000113.4A614A614-L616 PolarHBondContact O-N 3.09Å
617N44.6Very low53.1Low138 Ų138107.8 Ų107.874%0.73859%0.593SS**SBendtrans-131.55.1-168-72.3-65.3000115.4A613 A614A613-N617 PolarHBondContact O-ND2 3.14Å; A614-N617 PolarHBondContact O-N 3.22Å
618V42.7Very low51.4Low115 Ų115116.1 Ų116.170%0.69763%0.632SS**  trans-132.8125.9-179.2-173.70000110.3
619D39.3Very low50Low153 Ų153116.6 Ų116.682%0.81864%0.636SS**  trans-80.5122.9170.4-119.8-14.1000109.1S621D619-S621 PolarHBondContact O-N 2.95Å
620D45.8Very low49.2Very low148 Ų148118.9 Ų118.979%0.79164%0.644SS**SBendtrans5.690.5159-140.811000117.6
621S44.3Very low49.3Very low95 Ų95118 Ų11866%0.66465%0.647SS**  trans175.698.8152.633.60000114.2D619D619-S621 PolarHBondContact O-N 2.95Å
622D38.5Very low50.1Low148 Ų148115.4 Ų115.479%0.79164%0.635SS**  trans162.262.8139.3-85.9-11.4000111.6E624D622-E624 PolarHBondContact O-N 3.46Å
623D42.7Very low51.2Low123 Ų123110.3 Ų110.366%0.65861%0.611SS**G310 helixtrans-69.7-19.4-172.9-73.7-40.1000115.8A625D623-A625 VanDerWaalsContact C-N 3.27Å; D623-A625 PolarHBondContact O-N 2.92Å
624E42.1Very low52.7Low198 Ų198110.7 Ų110.793%0.92561%0.61SS**G310 helixtrans-75.9-5.6-167.8-65.7-169.3173.600115.1D622D622-E624 PolarHBondContact O-N 3.46Å
625A40.6Very low54.4Low92 Ų92111.4 Ų111.476%0.7661%0.606SS**G310 helixtrans-105.5-8.5-179.900000114.7D623D623-A625 VanDerWaalsContact C-N 3.27Å; D623-A625 PolarHBondContact O-N 2.92Å
626E44.8Very low56.3Low119 Ų119105.6 Ų105.656%0.55657%0.574SS**THydrogen-bonded Turntrans-96.6-17.7-170.4-57.8-149.4148.500114.6E628 D629E626-E628 PolarHBondContact O-N 3.18Å; E626-D629 PolarHBondContact O-N 3.31Å; E626-D629 VanDerWaalsContact O-N 3.09Å
627E46.1Very low58.2Low169 Ų169101.1 Ų101.179%0.7955%0.55SS*.G310 helixtrans-61.6-35.5-171.5-64.6-164.4151.900114.8D629E627-D629 VanDerWaalsContact C-N 3.25Å; E627-D629 PolarHBondContact O-N 3.21Å
628E47.1Very low60.4Low188 Ų18898.4 Ų98.488%0.87954%0.538SS*.G310 helixtrans-70-22178.6-71.2-162160.200113E626E626-E628 PolarHBondContact O-N 3.18Å
629D52.6Low62.8Low49 Ų4993.3 Ų93.326%0.26251%0.507SS..G310 helixtrans-91-5.7-172.8-150.449.2000113S550 E626 E627 Y632 K633S550-D629 WeakPolarHBondContact CB-OD1 3.36Å; E626-D629 PolarHBondContact O-N 3.31Å; E626-D629 VanDerWaalsContact O-N 3.09Å; E627-D629 VanDerWaalsContact C-N 3.25Å; E627-D629 PolarHBondContact O-N 3.21Å; D629-Y632 HydrophobicContact CB-CE1 4.49Å; D629-Y632 WeakPolarHBondContact O-CE1 3.45Å; D629-Y632 WeakPolarHBondContact OD1-CE1 3.45Å; D629-Y632 VanDerWaalsContact OD1-CZ 3.31Å; D629-Y632 PolarHBondContact OD1-OH 2.92Å; D629-Y632 PolarHBondContact OD2-OH 3.25Å; D629-K633 WeakPolarHBondContact O-CD 3.23Å; D629-K633 WeakPolarHBondContact O-CE 3.37Å; D629-K633 PolarHBondContact O-NZ 3.2Å; D629-K633 IonicContact OD2-NZ 3.23Å; D629-K633 PolarHBondContact OD2-NZ 3.06Å
630E60Low65.2Low131 Ų13186.1 Ų86.161%0.61247%0.469SS*.THydrogen-bonded Turntrans-84.8-35.9174.5-77.1-106.8113.700113.3Y632 K633 S634E630-Y632 PolarHBondContact O-N 2.96Å; E630-K633 WeakPolarHBondContact O-CA 3.44Å; E630-K633 WeakPolarHBondContact O-CB 3.32Å; E630-K633 PolarHBondContact O-N 3.44Å; E630-S634 PolarHBondContact O-N 3.44Å; E630-S634 VanDerWaalsContact O-N 3.08Å
631G75.6Confident67.4Low46 Ų4681.5 Ų81.547%0.47444%0.442SS..Hα-helixtrans-57.6-46.8-166.200000114.5K633 E635G631-K633 VanDerWaalsContact C-N 3.31Å; G631-K633 PolarHBondContact O-N 2.94Å; G631-E635 PolarHBondContact O-N 3.33Å; G631-E635 VanDerWaalsContact O-N 3.13Å
632Y80.3Confident69.7Low12 Ų1277.5 Ų77.55%0.04741%0.414CS..Hα-helixtrans-71.5-24.717864-97.7000113.1M553 D629 E630 L636M553-Y632 HydrophobicContact CB-CD2 3.52Å; M553-Y632 HydrophobicContact CB-CE2 3.44Å; M553-Y632 VanDerWaalsContact CB-CE2 3.44Å; M553-Y632 HydrophobicContact CB-CG 4.42Å; M553-Y632 HydrophobicContact CG-CD2 4.27Å; M553-Y632 HydrophobicContact CG-CE2 3.82Å; D629-Y632 HydrophobicContact CB-CE1 4.49Å; D629-Y632 WeakPolarHBondContact O-CE1 3.45Å; D629-Y632 WeakPolarHBondContact OD1-CE1 3.45Å; D629-Y632 VanDerWaalsContact OD1-CZ 3.31Å; D629-Y632 PolarHBondContact OD1-OH 2.92Å; D629-Y632 PolarHBondContact OD2-OH 3.25Å; E630-Y632 PolarHBondContact O-N 2.96Å; Y632-L636 WeakPolarHBondContact O-CB 3.38Å; Y632-L636 VanDerWaalsContact O-CG 3.3Å; Y632-L636 WeakPolarHBondContact O-CG 3.34Å; Y632-L636 PolarHBondContact O-N 2.82Å; Y632-L636 VanDerWaalsContact O-N 3.15Å
633K81.9Confident72.3Confident18 Ų1870.6 Ų70.68%0.07838%0.377CS..Hα-helixtrans-70.2-49.2177.5-59.6171.8-174.71490109.3H611 D629 E630 G631 Q637H611-K633 PolarHBondContact NE2-NZ 3.15Å; D629-K633 WeakPolarHBondContact O-CD 3.23Å; D629-K633 WeakPolarHBondContact O-CE 3.37Å; D629-K633 PolarHBondContact O-NZ 3.2Å; D629-K633 IonicContact OD2-NZ 3.23Å; D629-K633 PolarHBondContact OD2-NZ 3.06Å; E630-K633 WeakPolarHBondContact O-CA 3.44Å; E630-K633 WeakPolarHBondContact O-CB 3.32Å; E630-K633 PolarHBondContact O-N 3.44Å; G631-K633 VanDerWaalsContact C-N 3.31Å; G631-K633 PolarHBondContact O-N 2.94Å; K633-Q637 WeakPolarHBondContact O-CG 3.34Å; K633-Q637 PolarHBondContact O-N 2.99Å
634S85.4Confident74.6Confident66 Ų6664.9 Ų64.946%0.46235%0.347SS..Hα-helixtrans-62.6-43177.8-179.20000112.6E630 Q637 T638E630-S634 PolarHBondContact O-N 3.44Å; E630-S634 VanDerWaalsContact O-N 3.08Å; S634-Q637 PolarHBondContact O-N 3.04Å; S634-T638 PolarHBondContact O-N 3.48Å; S634-T638 PolarHBondContact O-OG1 3.19Å
635E88.9Confident76.9Confident61 Ų6161.1 Ų61.129%0.28532%0.324SS..Hα-helixtrans-66.8-44.3178.7-167.1-172.3155.500112.4L557 R561 G631 Q637 T638 I639L557-E635 HydrophobicContact CD1-CG 4.41Å; R561-E635 IonicContact CZ-OE1 2.93Å; R561-E635 IonicContact CZ-OE2 3.78Å; R561-E635 IonicContact NE-OE1 2.68Å; R561-E635 PolarHBondContact NE-OE1 3.1Å; R561-E635 IonicContact NE-OE2 3.32Å; R561-E635 IonicContact NH2-OE1 3.53Å; R561-E635 PolarHBondContact NH2-OE1 2.98Å; R561-E635 IonicContact NH2-OE2 3.78Å; R561-E635 PolarHBondContact NH2-OE2 3.08Å; G631-E635 PolarHBondContact O-N 3.33Å; G631-E635 VanDerWaalsContact O-N 3.13Å; E635-Q637 VanDerWaalsContact C-N 3.33Å; E635-Q637 PolarHBondContact O-N 3.31Å; E635-T638 WeakPolarHBondContact O-CB 3.43Å; E635-T638 PolarHBondContact O-N 2.89Å; E635-T638 VanDerWaalsContact O-N 3.14Å; E635-I639 HydrophobicContact CG-CD1 4.17Å; E635-I639 WeakPolarHBondContact O-CG1 3.46Å; E635-I639 PolarHBondContact O-N 3.33Å
636L89Confident79.4Confident0 Ų057.3 Ų57.30%029%0.29CS..Hα-helixtrans-63.1-38.7176.5-77.9173.3000112.3M553 L557 T600 L604 Y632 I639 L640M553-L636 HydrophobicContact CE-CD1 3.47Å; M553-L636 VanDerWaalsContact CE-CD1 3.47Å; L557-L636 HydrophobicContact CB-CD1 4.28Å; L557-L636 HydrophobicContact CB-CD2 3.99Å; L557-L636 HydrophobicContact CB-CG 4.17Å; L557-L636 HydrophobicContact CD1-CD2 3.61Å; L557-L636 HydrophobicContact CD1-CG 3.94Å; L557-L636 HydrophobicContact CG-CD2 4.37Å; L557-L636 HydrophobicContact CG-CG 4.49Å; T600-L636 HydrophobicContact CG2-CD1 3.91Å; T600-L636 HydrophobicContact CG2-CD2 3.7Å; T600-L636 HydrophobicContact CG2-CG 4.31Å; L604-L636 HydrophobicContact CD1-CB 3.56Å; L604-L636 HydrophobicContact CD1-CD1 4.21Å; Y632-L636 WeakPolarHBondContact O-CB 3.38Å; Y632-L636 VanDerWaalsContact O-CG 3.3Å; Y632-L636 WeakPolarHBondContact O-CG 3.34Å; Y632-L636 PolarHBondContact O-N 2.82Å; Y632-L636 VanDerWaalsContact O-N 3.15Å; L636-I639 PolarHBondContact O-N 3.45Å; L636-L640 WeakPolarHBondContact O-CB 3.29Å; L636-L640 VanDerWaalsContact O-CG 3.23Å; L636-L640 WeakPolarHBondContact O-CG 3.3Å; L636-L640 PolarHBondContact O-N 3.48Å
637Q89.4Confident81.6Confident54 Ų5451.7 Ų51.725%0.25226%0.264SS..Hα-helixtrans-58.8-48.1170.5-73.2172.7-0.400111.2L604 K633 S634 E635 I639 L640 E641L604-Q637 HydrophobicContact CD1-CG 4.37Å; L604-Q637 HydrophobicContact CD2-CG 4.19Å; K633-Q637 WeakPolarHBondContact O-CG 3.34Å; K633-Q637 PolarHBondContact O-N 2.99Å; S634-Q637 PolarHBondContact O-N 3.04Å; E635-Q637 VanDerWaalsContact C-N 3.33Å; E635-Q637 PolarHBondContact O-N 3.31Å; Q637-I639 VanDerWaalsContact C-N 3.33Å; Q637-I639 PolarHBondContact O-N 3.42Å; Q637-L640 PolarHBondContact O-N 3.29Å; Q637-E641 WeakPolarHBondContact O-CB 3.4Å; Q637-E641 WeakPolarHBondContact O-CG 3.35Å; Q637-E641 PolarHBondContact O-N 2.72Å
638T91Very high83.8Confident81 Ų8145 Ų4550%0.49723%0.234SC..Hα-helixtrans-58.8-42.7179.1-56.90000112.1S634 E635 S642S634-T638 PolarHBondContact O-N 3.48Å; S634-T638 PolarHBondContact O-OG1 3.19Å; E635-T638 WeakPolarHBondContact O-CB 3.43Å; E635-T638 PolarHBondContact O-N 2.89Å; E635-T638 VanDerWaalsContact O-N 3.14Å; T638-S642 VanDerWaalsContact O-CB 3.29Å; T638-S642 WeakPolarHBondContact O-CB 3.49Å; T638-S642 PolarHBondContact O-N 2.94Å
639I92.4Very high85.8Confident8 Ų843.3 Ų43.34%0.04122%0.223CC..Hα-helixtrans-63.1-48.4175.3-70.7169000111.1L557 V560 R561 Y564 E635 L636 Q637 E641 S642 M643L557-I639 HydrophobicContact CD1-CD1 3.82Å; V560-I639 HydrophobicContact CG1-CG2 3.9Å; R561-I639 HydrophobicContact CG-CD1 4.37Å; Y564-I639 HydrophobicContact CD1-CG1 4.34Å; Y564-I639 HydrophobicContact CD1-CG2 4.37Å; Y564-I639 HydrophobicContact CD2-CG2 3.75Å; Y564-I639 HydrophobicContact CE1-CG1 4.12Å; Y564-I639 HydrophobicContact CE2-CG2 3.92Å; Y564-I639 HydrophobicContact CG-CG2 3.98Å; E635-I639 HydrophobicContact CG-CD1 4.17Å; E635-I639 WeakPolarHBondContact O-CG1 3.46Å; E635-I639 PolarHBondContact O-N 3.33Å; L636-I639 PolarHBondContact O-N 3.45Å; Q637-I639 VanDerWaalsContact C-N 3.33Å; Q637-I639 PolarHBondContact O-N 3.42Å; I639-E641 PolarHBondContact O-N 3.42Å; I639-S642 PolarHBondContact O-N 2.8Å; I639-M643 HydrophobicContact CG2-CE 4.47Å; I639-M643 VanDerWaalsContact O-CB 3.28Å; I639-M643 WeakPolarHBondContact O-CB 3.46Å; I639-M643 PolarHBondContact O-N 2.97Å
640L91.7Very high87.6Confident3 Ų341 Ų412%0.01621%0.21CC..Hα-helixtrans-67-34.9-178.5-70.4168.3000112.8V597 V601 L604 L636 Q637 T644 L687 Y690V597-L640 HydrophobicContact CG1-CD2 3.77Å; V601-L640 HydrophobicContact CG2-CD1 4.03Å; V601-L640 HydrophobicContact CG2-CD2 4.01Å; L604-L640 HydrophobicContact CD2-CD1 4.37Å; L636-L640 WeakPolarHBondContact O-CB 3.29Å; L636-L640 VanDerWaalsContact O-CG 3.23Å; L636-L640 WeakPolarHBondContact O-CG 3.3Å; L636-L640 PolarHBondContact O-N 3.48Å; Q637-L640 PolarHBondContact O-N 3.29Å; L640-T644 WeakPolarHBondContact O-CB 3.39Å; L640-T644 PolarHBondContact O-N 3.32Å; L640-T644 PolarHBondContact O-OG1 3.1Å; L640-L687 HydrophobicContact CD2-CD2 4.49Å; L640-Y690 HydrophobicContact CB-CD1 4.36Å; L640-Y690 HydrophobicContact CB-CE1 3.64Å; L640-Y690 HydrophobicContact CB-CE2 4.34Å; L640-Y690 HydrophobicContact CD1-CD2 4.26Å; L640-Y690 HydrophobicContact CD1-CE1 4.46Å; L640-Y690 HydrophobicContact CD1-CE2 3.65Å
641E90.8Very high88.9Confident50 Ų5038.5 Ų38.523%0.23420%0.199CC..Hα-helixtrans-69.8-44.1173.1-75.6-170.5-170.200112.7Q637 I639 M643 T644 R645 R694 R701Q637-E641 WeakPolarHBondContact O-CB 3.4Å; Q637-E641 WeakPolarHBondContact O-CG 3.35Å; Q637-E641 PolarHBondContact O-N 2.72Å; I639-E641 PolarHBondContact O-N 3.42Å; E641-M643 VanDerWaalsContact C-N 3.31Å; E641-M643 PolarHBondContact O-N 3.4Å; E641-T644 PolarHBondContact O-N 2.87Å; E641-R645 WeakPolarHBondContact O-CG 3.36Å; E641-R645 PolarHBondContact O-N 2.96Å; E641-R645 IonicContact OE2-NH1 2.67Å; E641-R645 PolarHBondContact OE2-NH1 3.42Å; E641-R694 IonicContact OE1-CZ 3.78Å; E641-R694 VanDerWaalsContact OE1-CZ 3.23Å; E641-R694 IonicContact OE1-NH1 2.73Å; E641-R694 PolarHBondContact OE1-NH1 3.15Å; E641-R694 IonicContact OE1-NH2 3.52Å; E641-R694 PolarHBondContact OE1-NH2 3.22Å; E641-R701 IonicContact OE1-NH2 3.95Å
642S92.9Very high89.4Confident12 Ų1236.7 Ų36.78%0.08418%0.178CC..Hα-helixtrans-59.6-44.2173.4176.20000111.3Y564 T638 I639 R646Y564-S642 VanDerWaalsContact OH-CB 3.23Å; Y564-S642 WeakPolarHBondContact OH-CB 3.16Å; Y564-S642 PolarHBondContact OH-OG 3.14Å; T638-S642 VanDerWaalsContact O-CB 3.29Å; T638-S642 WeakPolarHBondContact O-CB 3.49Å; T638-S642 PolarHBondContact O-N 2.94Å; I639-S642 PolarHBondContact O-N 2.8Å; S642-R646 WeakPolarHBondContact O-CB 3.3Å; S642-R646 WeakPolarHBondContact O-CG 3.41Å; S642-R646 PolarHBondContact O-N 3Å; S642-R646 PolarHBondContact OG-NE 2.88Å; S642-R646 PolarHBondContact OG-NH2 3.06Å; S642-R646 VanDerWaalsContact OG-NH2 3.16Å
643M92.4Very high89.7Confident3 Ų342.8 Ų42.82%0.01521%0.207CC..Hα-helixtrans-62.4-46.4175.8-168.2-178.9-65.500111.1Y564 P573 V574 I639 E641 R646 M647 L687Y564-M643 HydrophobicContact CD2-CE 4.06Å; P573-M643 HydrophobicContact CB-CG 4.48Å; P573-M643 HydrophobicContact CG-CG 4.24Å; V574-M643 HydrophobicContact CG1-CE 3.67Å; V574-M643 HydrophobicContact CG1-CG 4.33Å; V574-M643 HydrophobicContact CG1-SD 3.97Å; I639-M643 HydrophobicContact CG2-CE 4.47Å; I639-M643 VanDerWaalsContact O-CB 3.28Å; I639-M643 WeakPolarHBondContact O-CB 3.46Å; I639-M643 PolarHBondContact O-N 2.97Å; E641-M643 VanDerWaalsContact C-N 3.31Å; E641-M643 PolarHBondContact O-N 3.4Å; M643-R646 PolarHBondContact O-N 2.88Å; M643-M647 HydrophobicContact CG-CG 4.03Å; M643-M647 VanDerWaalsContact O-CB 3.28Å; M643-M647 WeakPolarHBondContact O-CB 3.37Å; M643-M647 WeakPolarHBondContact O-CG 3.46Å; M643-M647 PolarHBondContact O-N 2.93Å; M643-L687 HydrophobicContact CG-CD1 4.09Å; M643-L687 HydrophobicContact SD-CD1 4.35Å; M643-L687 HydrophobicContact SD-CD2 4.42Å
644T91.3Very high90Very high3 Ų345 Ų452%0.01822%0.22CC..Hα-helixtrans-54-57.6174.6-64.80000111.5L640 E641 R646 M647 I648 N691 L708L640-T644 WeakPolarHBondContact O-CB 3.39Å; L640-T644 PolarHBondContact O-N 3.32Å; L640-T644 PolarHBondContact O-OG1 3.1Å; E641-T644 PolarHBondContact O-N 2.87Å; T644-R646 VanDerWaalsContact C-N 3.25Å; T644-R646 PolarHBondContact O-N 3.17Å; T644-M647 PolarHBondContact O-N 3.23Å; T644-I648 HydrophobicContact CG2-CD1 4Å; T644-I648 WeakPolarHBondContact O-CG1 3.38Å; T644-I648 PolarHBondContact O-N 2.71Å; T644-I648 VanDerWaalsContact O-N 3.14Å; T644-N691 VanDerWaalsContact CG2-ND2 3.26Å; T644-N691 WeakPolarHBondContact CG2-ND2 3.39Å; T644-N691 PolarHBondContact OG1-ND2 2.81Å; T644-N691 VanDerWaalsContact OG1-ND2 3.09Å; T644-L708 HydrophobicContact CG2-CD1 4.39Å
645R91Very high90Very high119 Ų11942.1 Ų42.145%0.44920%0.199SC..Hα-helixtrans-61.2-32.3-176.5-70.4-172.6-63.5-97.70.1113.1E641 K649E641-R645 WeakPolarHBondContact O-CG 3.36Å; E641-R645 PolarHBondContact O-N 2.96Å; E641-R645 IonicContact OE2-NH1 2.67Å; E641-R645 PolarHBondContact OE2-NH1 3.42Å; R645-K649 WeakPolarHBondContact O-CG 3.32Å
646R92.1Very high89.9Confident12 Ų1245 Ų455%0.04521%0.213CC..Hα-helixtrans-83.2-40.2178.3-72.2-169.2-72.4161.4-7.5113.1Y564 E565 E567 Q568 L570 L571 P573 S642 M643 T644 I648 K649 C650Y564-R646 VanDerWaalsContact CZ-NH2 3.25Å; Y564-R646 PolarHBondContact OH-NH2 3.43Å; Y564-R646 VanDerWaalsContact OH-NH2 3.1Å; E565-R646 PolarHBondContact O-NH1 3.47Å; E565-R646 PolarHBondContact O-NH2 2.74Å; E567-R646 PolarHBondContact O-NH1 2.76Å; Q568-R646 WeakPolarHBondContact O-CD 3.44Å; L570-R646 PolarHBondContact O-NH1 3.36Å; L571-R646 HydrophobicContact CD2-CB 3.79Å; L571-R646 HydrophobicContact CD2-CG 4Å; P573-R646 HydrophobicContact CB-CB 3.77Å; P573-R646 VanDerWaalsContact CB-CZ 3.5Å; P573-R646 HydrophobicContact CG-CB 3.77Å; S642-R646 WeakPolarHBondContact O-CB 3.3Å; S642-R646 WeakPolarHBondContact O-CG 3.41Å; S642-R646 PolarHBondContact O-N 3Å; S642-R646 PolarHBondContact OG-NE 2.88Å; S642-R646 PolarHBondContact OG-NH2 3.06Å; S642-R646 VanDerWaalsContact OG-NH2 3.16Å; M643-R646 PolarHBondContact O-N 2.88Å; T644-R646 VanDerWaalsContact C-N 3.25Å; T644-R646 PolarHBondContact O-N 3.17Å; R646-I648 PolarHBondContact O-N 3.13Å; R646-K649 PolarHBondContact O-N 2.82Å; R646-C650 PolarHBondContact O-N 3.46Å; R646-C650 PolarHBondContact O-SG 3Å
647M91.6Very high89.7Confident0 Ų045 Ų450%021%0.213CC..Hα-helixtrans-61.4-30.4175.3-72.2-62.9-66.600112.8P573 V574 M643 T644 F655 V680 L683 Y684 L687 L708P573-M647 HydrophobicContact CG-CG 3.73Å; P573-M647 HydrophobicContact CG-SD 3.6Å; V574-M647 HydrophobicContact CG2-SD 4.36Å; M643-M647 HydrophobicContact CG-CG 4.03Å; M643-M647 VanDerWaalsContact O-CB 3.28Å; M643-M647 WeakPolarHBondContact O-CB 3.37Å; M643-M647 WeakPolarHBondContact O-CG 3.46Å; M643-M647 PolarHBondContact O-N 2.93Å; T644-M647 PolarHBondContact O-N 3.23Å; M647-F655 HydrophobicContact CE-CE1 4.48Å; M647-F655 HydrophobicContact CE-CZ 3.78Å; M647-F655 HydrophobicContact SD-CE1 4.41Å; M647-F655 HydrophobicContact SD-CZ 3.81Å; M647-V680 HydrophobicContact CE-CG1 4.42Å; M647-L683 HydrophobicContact CE-CB 4.42Å; M647-Y684 HydrophobicContact CB-CE1 4.04Å; M647-Y684 HydrophobicContact CE-CD1 4.22Å; M647-Y684 HydrophobicContact CE-CD2 4.35Å; M647-Y684 HydrophobicContact CE-CE1 3.8Å; M647-Y684 HydrophobicContact CE-CE2 3.96Å; M647-Y684 HydrophobicContact CE-CG 4.45Å; M647-Y684 WeakPolarHBondContact O-CE1 3.31Å; M647-Y684 PolarHBondContact O-OH 3.3Å; M647-Y684 VanDerWaalsContact O-OH 3.1Å; M647-L687 HydrophobicContact CB-CD1 4.1Å; M647-L687 HydrophobicContact CG-CD1 3.73Å; M647-L708 HydrophobicContact CB-CD2 4.06Å
648I91.6Very high89.5Confident30 Ų3044.4 Ų44.415%0.15421%0.211CC..Hα-helixtrans-64.5-41170.9-74.4168.5000111.7T644 R646 E704 E707 L708T644-I648 HydrophobicContact CG2-CD1 4Å; T644-I648 WeakPolarHBondContact O-CG1 3.38Å; T644-I648 PolarHBondContact O-N 2.71Å; T644-I648 VanDerWaalsContact O-N 3.14Å; R646-I648 PolarHBondContact O-N 3.13Å; I648-E704 HydrophobicContact CD1-CB 3.73Å; I648-E704 HydrophobicContact CD1-CG 3.99Å; I648-E707 HydrophobicContact CG2-CB 4.4Å; I648-E707 HydrophobicContact CG2-CG 3.84Å; I648-L708 HydrophobicContact CD1-CD2 4.47Å; I648-L708 HydrophobicContact CD1-CG 4.25Å; I648-L708 HydrophobicContact CG1-CD2 3.66Å; I648-L708 HydrophobicContact CG1-CG 3.78Å
649K90.5Very high89Confident151 Ų15146.2 Ų46.266%0.65721%0.212SC*.Hα-helixtrans-77.1-23.3-179.8-68.8179.9-179.4-1750113.6L571 R645 R646L571-K649 HydrophobicContact CD1-CB 4.35Å; R645-K649 WeakPolarHBondContact O-CG 3.32Å; R646-K649 PolarHBondContact O-N 2.82Å
650C90.4Very high88.6Confident0 Ų050.6 Ų50.60%024%0.243CC..  trans-62.1137.3-176.5-64.40000112.1P573 R646 D654 F655 R711P573-C650 VanDerWaalsContact CD-SG 3.6Å; R646-C650 PolarHBondContact O-N 3.46Å; R646-C650 PolarHBondContact O-SG 3Å; C650-D654 VanDerWaalsContact CA-OD2 3.29Å; C650-D654 WeakPolarHBondContact CA-OD2 3.49Å; C650-F655 HydrophobicContact CB-CE2 3.55Å; C650-F655 HydrophobicContact CB-CZ 3.91Å; C650-R711 PolarHBondContact O-NH1 2.86Å
651E87.5Confident88.2Confident80 Ų8050.8 Ų50.837%0.37425%0.245SC..  trans-90.2166.7164.8-63.2-88.2119.200109.1E653 D654 F655 R711E651-E653 PolarHBondContact O-N 3.2Å; E651-D654 PolarHBondContact N-OD2 3.47Å; E651-D654 PolarHBondContact O-N 3.49Å; E651-F655 WeakPolarHBondContact O-CD2 3.4Å; E651-R711 IonicContact OE1-NH1 3.62Å; E651-R711 PolarHBondContact OE1-NH1 2.67Å
652L86.1Confident87.8Confident7 Ų752.8 Ų52.84%0.03726%0.255CS..SBendtrans-74.2-15.6175.4-62.1178.7000112.4F655 E656 L657 K714 L715 I718L652-F655 PolarHBondContact O-N 3.41Å; L652-E656 PolarHBondContact O-N 3.21Å; L652-L657 PolarHBondContact O-N 3.31Å; L652-K714 HydrophobicContact CD1-CB 4.38Å; L652-K714 HydrophobicContact CD1-CD 3.88Å; L652-K714 HydrophobicContact CD1-CG 3.81Å; L652-K714 HydrophobicContact CG-CD 4.36Å; L652-L715 HydrophobicContact CD1-CB 4.45Å; L652-L715 HydrophobicContact CD2-CB 4.09Å; L652-L715 HydrophobicContact CD2-CD1 4.4Å; L652-L715 HydrophobicContact CD2-CD2 4.47Å; L652-I718 HydrophobicContact CD1-CD1 3.45Å; L652-I718 VanDerWaalsContact CD1-CD1 3.45Å
653E86.1Confident87.3Confident140 Ų14053.3 Ų53.365%0.65426%0.256SS*.THydrogen-bonded Turntrans-69.6-37.9174.1-63.8177.4-161.700111E651 F655 E656 D658E651-E653 PolarHBondContact O-N 3.2Å; E653-F655 PolarHBondContact O-N 2.71Å; E653-F655 VanDerWaalsContact O-N 3.08Å; E653-E656 PolarHBondContact O-N 2.99Å; E653-D658 HydrophobicContact CG-CB 3.99Å
654D86.9Confident86.8Confident64 Ų6455.2 Ų55.234%0.34227%0.269SS..THydrogen-bonded Turntrans-60-20.8175.4-57.7-38000113.2P572 C650 E651P572-D654 WeakPolarHBondContact CD-O 3.41Å; C650-D654 VanDerWaalsContact CA-OD2 3.29Å; C650-D654 WeakPolarHBondContact CA-OD2 3.49Å; E651-D654 PolarHBondContact N-OD2 3.47Å; E651-D654 PolarHBondContact O-N 3.49Å
655F86.9Confident86.2Confident7 Ų760.3 Ų60.33%0.03130%0.296CS..THydrogen-bonded Turntrans-102.7-2.1178-62.1-73.1000114P572 V574 L576 M647 C650 E651 L652 E653 L657 V680P572-F655 HydrophobicContact CB-CD1 3.85Å; P572-F655 HydrophobicContact CB-CE1 3.31Å; P572-F655 HydrophobicContact CB-CZ 3.8Å; P572-F655 HydrophobicContact CG-CD1 4.03Å; P572-F655 HydrophobicContact CG-CE1 3.97Å; V574-F655 HydrophobicContact CG2-CE1 4.39Å; L576-F655 HydrophobicContact CD1-CD1 3.76Å; L576-F655 HydrophobicContact CD1-CE1 4.42Å; M647-F655 HydrophobicContact CE-CE1 4.48Å; M647-F655 HydrophobicContact CE-CZ 3.78Å; M647-F655 HydrophobicContact SD-CE1 4.41Å; M647-F655 HydrophobicContact SD-CZ 3.81Å; C650-F655 HydrophobicContact CB-CE2 3.55Å; C650-F655 HydrophobicContact CB-CZ 3.91Å; E651-F655 WeakPolarHBondContact O-CD2 3.4Å; L652-F655 PolarHBondContact O-N 3.41Å; E653-F655 PolarHBondContact O-N 2.71Å; E653-F655 VanDerWaalsContact O-N 3.08Å; F655-L657 HydrophobicContact CB-CB 4.2Å; F655-L657 HydrophobicContact CB-CD1 3.88Å; F655-L657 HydrophobicContact CB-CG 3.83Å; F655-L657 WeakPolarHBondContact O-CG 3.46Å; F655-L657 PolarHBondContact O-N 3.06Å; F655-V680 HydrophobicContact CD1-CG2 3.8Å; F655-V680 HydrophobicContact CD2-CG1 4.47Å; F655-V680 HydrophobicContact CE1-CG2 3.92Å; F655-V680 HydrophobicContact CE2-CG1 4.28Å; F655-V680 HydrophobicContact CG-CG2 4.25Å; F655-V680 HydrophobicContact CZ-CG1 4.32Å; F655-V680 HydrophobicContact CZ-CG2 4.49Å
656E85.4Confident85.6Confident122 Ų12258.5 Ų58.557%0.5731%0.314SS*.THydrogen-bonded Turntrans59.328.9-167.3-48.5-177.1144.100113.6L652 E653 K672L652-E656 PolarHBondContact O-N 3.21Å; E653-E656 PolarHBondContact O-N 2.99Å; E656-K672 IonicContact OE2-NZ 2.98Å; E656-K672 PolarHBondContact OE2-NZ 3.25Å
657L85.9Confident85.3Confident0 Ų059.3 Ų59.30%032%0.321CS..  trans-115.125.7-174.3-61.7-179.5000113.8L652 F655 F663 N673 F676 A677 V680 L715L652-L657 PolarHBondContact O-N 3.31Å; F655-L657 HydrophobicContact CB-CB 4.2Å; F655-L657 HydrophobicContact CB-CD1 3.88Å; F655-L657 HydrophobicContact CB-CG 3.83Å; F655-L657 WeakPolarHBondContact O-CG 3.46Å; F655-L657 PolarHBondContact O-N 3.06Å; L657-F663 HydrophobicContact CD2-CE1 4.05Å; L657-F663 HydrophobicContact CD2-CZ 4.27Å; L657-N673 HydrophobicContact CD2-CB 4.08Å; L657-N673 WeakPolarHBondContact CD2-O 3.4Å; L657-F676 HydrophobicContact CD1-CB 4.24Å; L657-F676 HydrophobicContact CD2-CB 4.04Å; L657-A677 HydrophobicContact CD1-CB 4.07Å; L657-A677 HydrophobicContact CD2-CB 4.43Å; L657-V680 HydrophobicContact CD1-CB 4.45Å; L657-V680 HydrophobicContact CD1-CG2 4.23Å; L657-L715 HydrophobicContact CB-CD1 4.32Å; L657-L715 HydrophobicContact CD1-CD1 4.47Å; L657-L715 HydrophobicContact CD1-CD2 4.39Å
658D84.3Confident85Confident41 Ų4161.8 Ų61.822%0.21934%0.339CS..SBendtrans-73.6-171-178.890.2-60.1000112.6E653 S660 A661E653-D658 HydrophobicContact CG-CB 3.99Å; D658-S660 VanDerWaalsContact CG-N 3.26Å; D658-S660 PolarHBondContact O-N 3.1Å; D658-S660 VanDerWaalsContact OD1-CB 3.31Å; D658-S660 WeakPolarHBondContact OD1-CB 3.11Å; D658-S660 PolarHBondContact OD1-N 3.05Å; D658-S660 PolarHBondContact OD1-OG 3.19Å; D658-S660 WeakPolarHBondContact OD2-CB 3.46Å; D658-S660 PolarHBondContact OD2-N 3.15Å; D658-S660 PolarHBondContact OD2-OG 3.12Å; D658-A661 WeakPolarHBondContact O-CB 3.39Å; D658-A661 PolarHBondContact O-N 3.47Å; D658-A661 PolarHBondContact OD1-N 2.91Å
659K81.4Confident84.8Confident119 Ų11964.1 Ų64.152%0.51735%0.354SS..THydrogen-bonded Turntrans-69.4-17.8177.4-67.8-162176.6-139.40113.5I718 E721 K722K659-I718 HydrophobicContact CG-CD1 4.19Å; K659-I718 HydrophobicContact CG-CG1 4.23Å; K659-E721 IonicContact NZ-OE1 3.34Å; K659-E721 PolarHBondContact NZ-OE1 2.92Å; K659-E721 IonicContact NZ-OE2 3.24Å; K659-E721 PolarHBondContact NZ-OE2 2.82Å; K659-K722 WeakPolarHBondContact O-CE 3.17Å; K659-K722 PolarHBondContact O-NZ 3.33Å
660S82.9Confident84.6Confident99 Ų9957 Ų5769%0.69232%0.323SS*.THydrogen-bonded Turntrans-73-29.7173.887.70000112.6D658D658-S660 VanDerWaalsContact CG-N 3.26Å; D658-S660 PolarHBondContact O-N 3.1Å; D658-S660 VanDerWaalsContact OD1-CB 3.31Å; D658-S660 WeakPolarHBondContact OD1-CB 3.11Å; D658-S660 PolarHBondContact OD1-N 3.05Å; D658-S660 PolarHBondContact OD1-OG 3.19Å; D658-S660 WeakPolarHBondContact OD2-CB 3.46Å; D658-S660 PolarHBondContact OD2-N 3.15Å; D658-S660 PolarHBondContact OD2-OG 3.12Å
661A84.2Confident84.4Confident7 Ų758.7 Ų58.76%0.05833%0.334CS..  trans-56.9139.4-17700000113.7D658 F663 K722D658-A661 WeakPolarHBondContact O-CB 3.39Å; D658-A661 PolarHBondContact O-N 3.47Å; D658-A661 PolarHBondContact OD1-N 2.91Å; A661-F663 HydrophobicContact CB-CD2 4.48Å; A661-F663 HydrophobicContact CB-CE2 3.74Å; A661-F663 HydrophobicContact CB-CZ 3.91Å; A661-K722 PolarHBondContact O-NZ 3.24Å
662E82.4Confident84.5Confident93 Ų9357 Ų5744%0.43533%0.325SS..  trans-83.1137.9168.1-169.7-179.1-167.400109.8S664 S667 G670 N673E662-S664 VanDerWaalsContact OE1-CB 3.26Å; E662-S664 WeakPolarHBondContact OE1-CB 3.48Å; E662-S664 PolarHBondContact OE1-OG 3.17Å; E662-S667 PolarHBondContact OE1-OG 2.95Å; E662-S667 PolarHBondContact OE2-OG 3.13Å; E662-G670 WeakPolarHBondContact O-CA 3.43Å; E662-N673 VanDerWaalsContact O-CB 3.32Å; E662-N673 WeakPolarHBondContact O-CB 3.39Å; E662-N673 PolarHBondContact O-ND2 2.94Å
663F83.3Confident84.7Confident23 Ų2357.1 Ų57.110%0.10133%0.326CS..  trans-126.421.7177.1-65.6-80.5000112L657 A661 N673 A677 I718 L719 K722L657-F663 HydrophobicContact CD2-CE1 4.05Å; L657-F663 HydrophobicContact CD2-CZ 4.27Å; A661-F663 HydrophobicContact CB-CD2 4.48Å; A661-F663 HydrophobicContact CB-CE2 3.74Å; A661-F663 HydrophobicContact CB-CZ 3.91Å; F663-N673 HydrophobicContact CD1-CB 4.04Å; F663-N673 HydrophobicContact CE1-CB 3.99Å; F663-A677 HydrophobicContact CE1-CB 4.06Å; F663-I718 HydrophobicContact CE2-CG2 4Å; F663-L719 HydrophobicContact CD1-CD2 3.66Å; F663-L719 HydrophobicContact CE1-CD2 3.79Å; F663-L719 HydrophobicContact CG-CD2 4.06Å; F663-L719 HydrophobicContact CZ-CD2 4.3Å; F663-K722 HydrophobicContact CD2-CB 4.42Å; F663-K722 HydrophobicContact CD2-CD 4.37Å; F663-K722 HydrophobicContact CD2-CG 4.05Å
664S81.2Confident84.8Confident43 Ų4352.9 Ų52.930%0.30131%0.308SS..  trans-74.5129.7-177.3850000110.1E662 G666 S667 G670E662-S664 VanDerWaalsContact OE1-CB 3.26Å; E662-S664 WeakPolarHBondContact OE1-CB 3.48Å; E662-S664 PolarHBondContact OE1-OG 3.17Å; S664-G666 PolarHBondContact O-N 3.08Å; S664-G666 VanDerWaalsContact O-N 3.1Å; S664-S667 PolarHBondContact O-N 3.46Å; S664-S667 PolarHBondContact OG-N 3.49Å; S664-S667 PolarHBondContact OG-OG 3.34Å; S664-G670 CarbonylContact O-C 3.37Å; S664-G670 VanDerWaalsContact O-CA 3.27Å; S664-G670 WeakPolarHBondContact O-CA 3.29Å
665L79.4Confident84.9Confident110 Ų11051.2 Ų51.258%0.57630%0.298SS*.THydrogen-bonded Turntrans-72.51.3176.8-61.7176.1000112.9V671 N674L665-V671 HydrophobicContact CD2-CG2 4.41Å; L665-N674 HydrophobicContact CD2-CB 4.4Å
666G77.4Confident85.1Confident81 Ų8151.1 Ų51.184%0.83530%0.298SS*.THydrogen-bonded Turntrans-96.8-10.8176.600000114.3S664S664-G666 PolarHBondContact O-N 3.08Å; S664-G666 VanDerWaalsContact O-N 3.1Å
667S86.2Confident85.3Confident28 Ų2845.3 Ų45.320%0.19627%0.271CS..SBendtrans-113.4144.9174.175.50000111E662 S664 V669 G670 V671E662-S667 PolarHBondContact OE1-OG 2.95Å; E662-S667 PolarHBondContact OE2-OG 3.13Å; S664-S667 PolarHBondContact O-N 3.46Å; S664-S667 PolarHBondContact OG-N 3.49Å; S664-S667 PolarHBondContact OG-OG 3.34Å; S667-V669 PolarHBondContact O-N 2.76Å; S667-G670 PolarHBondContact O-N 2.92Å; S667-G670 PolarHBondContact OG-N 2.93Å; S667-V671 WeakPolarHBondContact O-CG2 3.37Å; S667-V671 PolarHBondContact O-N 3.49Å
668S84.9Confident85.5Confident53 Ų5348.4 Ų48.437%0.37129%0.289SS..Hα-helixtrans-60.9-36.517753.40000111.9D585 V671 K672D585-S668 WeakPolarHBondContact O-CB 3.39Å; S668-V671 PolarHBondContact O-N 3.45Å; S668-K672 PolarHBondContact O-N 3.27Å
669V86.9Confident85.8Confident79 Ų7946.9 Ų46.948%0.47928%0.281SS..Hα-helixtrans-64.6-46.2172.9-1760000111.2S667 V671 K672 N673S667-V669 PolarHBondContact O-N 2.76Å; V669-V671 VanDerWaalsContact C-N 3.32Å; V669-V671 PolarHBondContact O-N 2.96Å; V669-K672 WeakPolarHBondContact O-CB 3.44Å; V669-K672 PolarHBondContact O-N 3.31Å; V669-N673 VanDerWaalsContact O-CG 3.24Å; V669-N673 PolarHBondContact O-N 2.71Å; V669-N673 PolarHBondContact O-OD1 2.94Å
670G86.8Confident86.4Confident0 Ų041.2 Ų41.20%026%0.257CS..Hα-helixtrans-65.4-33.3178.100000113.4E662 S664 S667 N674E662-G670 WeakPolarHBondContact O-CA 3.43Å; S664-G670 CarbonylContact O-C 3.37Å; S664-G670 VanDerWaalsContact O-CA 3.27Å; S664-G670 WeakPolarHBondContact O-CA 3.29Å; S667-G670 PolarHBondContact O-N 2.92Å; S667-G670 PolarHBondContact OG-N 2.93Å; G670-N674 VanDerWaalsContact O-CB 3.28Å; G670-N674 WeakPolarHBondContact O-CB 3.37Å; G670-N674 PolarHBondContact O-N 2.92Å
671V86.3Confident86.8Confident36 Ų3636.9 Ų36.922%0.21823%0.225CC..Hα-helixtrans-68.7-45.2170.4174.70000111.6V587 L665 S667 S668 V669 N673 N674 I675V587-V671 HydrophobicContact CB-CG1 4.25Å; L665-V671 HydrophobicContact CD2-CG2 4.41Å; S667-V671 WeakPolarHBondContact O-CG2 3.37Å; S667-V671 PolarHBondContact O-N 3.49Å; S668-V671 PolarHBondContact O-N 3.45Å; V669-V671 VanDerWaalsContact C-N 3.32Å; V669-V671 PolarHBondContact O-N 2.96Å; V671-N673 PolarHBondContact O-N 3.46Å; V671-N674 PolarHBondContact O-N 3.22Å; V671-I675 HydrophobicContact CG1-CD1 3.93Å; V671-I675 WeakPolarHBondContact O-CG1 3.45Å; V671-I675 PolarHBondContact O-N 3.05Å
672K89.6Confident87.1Confident45 Ų4536.7 Ų36.720%0.19623%0.225CC..Hα-helixtrans-51.7-54.1172.5168.9-174.7175.6-158.20110.6I580 V587 E656 S668 V669 N674 I675 F676I580-K672 HydrophobicContact CD1-CD 4.17Å; I580-K672 HydrophobicContact CD1-CG 3.91Å; V587-K672 HydrophobicContact CG1-CB 4.38Å; E656-K672 IonicContact OE2-NZ 2.98Å; E656-K672 PolarHBondContact OE2-NZ 3.25Å; S668-K672 PolarHBondContact O-N 3.27Å; V669-K672 WeakPolarHBondContact O-CB 3.44Å; V669-K672 PolarHBondContact O-N 3.31Å; K672-N674 VanDerWaalsContact C-N 3.34Å; K672-N674 PolarHBondContact O-N 3.06Å; K672-I675 PolarHBondContact O-N 3.49Å; K672-F676 HydrophobicContact CD-CE2 4.34Å; K672-F676 HydrophobicContact CD-CZ 4.48Å; K672-F676 HydrophobicContact CG-CD2 4.37Å; K672-F676 HydrophobicContact CG-CE1 4.44Å; K672-F676 HydrophobicContact CG-CE2 4.17Å; K672-F676 HydrophobicContact CG-CZ 4.2Å; K672-F676 PolarHBondContact O-N 3.22Å
673N90.1Very high87.6Confident10 Ų1032.3 Ų32.35%0.05320%0.204CC..Hα-helixtrans-66.9-34.9-175.6-65-7.6000112.2L657 E662 F663 V669 V671 F676 A677L657-N673 HydrophobicContact CD2-CB 4.08Å; L657-N673 WeakPolarHBondContact CD2-O 3.4Å; E662-N673 VanDerWaalsContact O-CB 3.32Å; E662-N673 WeakPolarHBondContact O-CB 3.39Å; E662-N673 PolarHBondContact O-ND2 2.94Å; F663-N673 HydrophobicContact CD1-CB 4.04Å; F663-N673 HydrophobicContact CE1-CB 3.99Å; V669-N673 VanDerWaalsContact O-CG 3.24Å; V669-N673 PolarHBondContact O-N 2.71Å; V669-N673 PolarHBondContact O-OD1 2.94Å; V671-N673 PolarHBondContact O-N 3.46Å; N673-F676 PolarHBondContact O-N 2.89Å; N673-A677 WeakPolarHBondContact O-CB 3.33Å; N673-A677 PolarHBondContact O-N 2.96Å
674N88.9Confident88.1Confident51 Ų5131.2 Ų31.227%0.27320%0.199SC..Hα-helixtrans-64-44.4173.8-166.3-89.6000111.8L665 G670 V671 K672 A677 V678L665-N674 HydrophobicContact CD2-CB 4.4Å; G670-N674 VanDerWaalsContact O-CB 3.28Å; G670-N674 WeakPolarHBondContact O-CB 3.37Å; G670-N674 PolarHBondContact O-N 2.92Å; V671-N674 PolarHBondContact O-N 3.22Å; K672-N674 VanDerWaalsContact C-N 3.34Å; K672-N674 PolarHBondContact O-N 3.06Å; N674-A677 PolarHBondContact O-N 3.27Å; N674-V678 WeakPolarHBondContact O-CG2 3.39Å; N674-V678 PolarHBondContact O-N 3.03Å
675I88.8Confident88.7Confident28 Ų2829.8 Ų29.814%0.14419%0.188CC..Hα-helixtrans-61.5-47.6175.6-68166.4000110.7I580 V587 L589 V671 K672 A677 V678 L679I580-I675 HydrophobicContact CG2-CG2 3.93Å; V587-I675 HydrophobicContact CG1-CD1 4.25Å; L589-I675 HydrophobicContact CB-CG2 4.39Å; L589-I675 HydrophobicContact CD1-CG2 3.75Å; V671-I675 HydrophobicContact CG1-CD1 3.93Å; V671-I675 WeakPolarHBondContact O-CG1 3.45Å; V671-I675 PolarHBondContact O-N 3.05Å; K672-I675 PolarHBondContact O-N 3.49Å; I675-A677 PolarHBondContact O-N 2.93Å; I675-V678 PolarHBondContact O-N 2.95Å; I675-L679 HydrophobicContact CG2-CD1 4.12Å; I675-L679 HydrophobicContact CG2-CG 4.47Å; I675-L679 WeakPolarHBondContact O-CG 3.13Å; I675-L679 PolarHBondContact O-N 3.28Å
676F91.4Very high89.4Confident6 Ų624.7 Ų24.73%0.02616%0.161CC..Hα-helixtrans-59.2-45177.1-78.17.2000111.8L576 I580 L657 K672 N673 V678 L679 V680L576-F676 HydrophobicContact CB-CD1 4.12Å; L576-F676 HydrophobicContact CB-CD2 4.29Å; L576-F676 HydrophobicContact CB-CE1 3.83Å; L576-F676 HydrophobicContact CB-CE2 3.99Å; L576-F676 HydrophobicContact CB-CG 4.34Å; L576-F676 HydrophobicContact CB-CZ 3.77Å; L576-F676 HydrophobicContact CD1-CB 4.29Å; L576-F676 HydrophobicContact CD1-CD2 4.12Å; L576-F676 HydrophobicContact CD1-CG 4.11Å; L576-F676 WeakPolarHBondContact O-CE1 3.47Å; I580-F676 HydrophobicContact CD1-CE1 3.84Å; I580-F676 HydrophobicContact CD1-CZ 3.9Å; I580-F676 HydrophobicContact CG1-CE1 4.04Å; I580-F676 HydrophobicContact CG1-CZ 4.36Å; I580-F676 HydrophobicContact CG2-CD1 4.36Å; I580-F676 HydrophobicContact CG2-CE1 3.86Å; L657-F676 HydrophobicContact CD1-CB 4.24Å; L657-F676 HydrophobicContact CD2-CB 4.04Å; K672-F676 HydrophobicContact CD-CE2 4.34Å; K672-F676 HydrophobicContact CD-CZ 4.48Å; K672-F676 HydrophobicContact CG-CD2 4.37Å; K672-F676 HydrophobicContact CG-CE1 4.44Å; K672-F676 HydrophobicContact CG-CE2 4.17Å; K672-F676 HydrophobicContact CG-CZ 4.2Å; K672-F676 PolarHBondContact O-N 3.22Å; N673-F676 PolarHBondContact O-N 2.89Å; F676-V678 PolarHBondContact O-N 3.5Å; F676-L679 PolarHBondContact O-N 3.07Å; F676-V680 WeakPolarHBondContact O-CB 3.42Å; F676-V680 WeakPolarHBondContact O-CG2 3.48Å; F676-V680 PolarHBondContact O-N 3.39Å
677A90.1Very high90.1Very high0 Ų020.8 Ų20.80%012%0.121CC..Hα-helixtrans-62.3-39.7177.500000112.8L657 F663 N673 N674 I675 M681 L715 L719L657-A677 HydrophobicContact CD1-CB 4.07Å; L657-A677 HydrophobicContact CD2-CB 4.43Å; F663-A677 HydrophobicContact CE1-CB 4.06Å; N673-A677 WeakPolarHBondContact O-CB 3.33Å; N673-A677 PolarHBondContact O-N 2.96Å; N674-A677 PolarHBondContact O-N 3.27Å; I675-A677 PolarHBondContact O-N 2.93Å; A677-M681 WeakPolarHBondContact O-CB 3.49Å; A677-M681 WeakPolarHBondContact O-CE 3.16Å; A677-M681 VanDerWaalsContact O-CG 3.31Å; A677-M681 WeakPolarHBondContact O-CG 3.21Å; A677-M681 PolarHBondContact O-N 3.42Å; A677-L715 HydrophobicContact CB-CD1 4.1Å; A677-L715 HydrophobicContact CB-CD2 4.35Å; A677-L715 HydrophobicContact CB-CG 4.48Å; A677-L719 HydrophobicContact CB-CD1 4.08Å; A677-L719 HydrophobicContact CB-CD2 4.2Å
678V89.3Confident90.4Very high64 Ų6419.7 Ų19.739%0.38811%0.113SC..Hα-helixtrans-66.3-41.2174.9172.80000111.8N674 I675 F676 M681 G682N674-V678 WeakPolarHBondContact O-CG2 3.39Å; N674-V678 PolarHBondContact O-N 3.03Å; I675-V678 PolarHBondContact O-N 2.95Å; F676-V678 PolarHBondContact O-N 3.5Å; V678-M681 HydrophobicContact CG2-CE 4.24Å; V678-G682 PolarHBondContact O-N 2.6Å
679L91.1Very high90.8Very high9 Ų917.3 Ų17.35%0.04710%0.096CC..Hα-helixtrans-63.6-45.7175.4-72.6175.4000112.1C579 L589 L593 I675 F676 G682 L683C579-L679 HydrophobicContact CB-CD1 3.84Å; L589-L679 HydrophobicContact CD1-CD1 3.97Å; L589-L679 HydrophobicContact CD1-CD2 4.21Å; L589-L679 HydrophobicContact CD1-CG 4.38Å; L593-L679 HydrophobicContact CB-CD2 4.32Å; I675-L679 HydrophobicContact CG2-CD1 4.12Å; I675-L679 HydrophobicContact CG2-CG 4.47Å; I675-L679 WeakPolarHBondContact O-CG 3.13Å; I675-L679 PolarHBondContact O-N 3.28Å; F676-L679 PolarHBondContact O-N 3.07Å; L679-G682 PolarHBondContact O-N 3.31Å; L679-L683 WeakPolarHBondContact O-CG 3.46Å; L679-L683 PolarHBondContact O-N 3.28Å
680V92.8Very high91Very high0 Ų013.6 Ų13.60%07%0.073CC..Hα-helixtrans-66.4-43.3179.6169.80000111.2L576 M647 F655 L657 F676 G682 L683 Y684 L715L576-V680 HydrophobicContact CD1-CG2 3.74Å; L576-V680 HydrophobicContact CD2-CG2 4.39Å; M647-V680 HydrophobicContact CE-CG1 4.42Å; F655-V680 HydrophobicContact CD1-CG2 3.8Å; F655-V680 HydrophobicContact CD2-CG1 4.47Å; F655-V680 HydrophobicContact CE1-CG2 3.92Å; F655-V680 HydrophobicContact CE2-CG1 4.28Å; F655-V680 HydrophobicContact CG-CG2 4.25Å; F655-V680 HydrophobicContact CZ-CG1 4.32Å; F655-V680 HydrophobicContact CZ-CG2 4.49Å; L657-V680 HydrophobicContact CD1-CB 4.45Å; L657-V680 HydrophobicContact CD1-CG2 4.23Å; F676-V680 WeakPolarHBondContact O-CB 3.42Å; F676-V680 WeakPolarHBondContact O-CG2 3.48Å; F676-V680 PolarHBondContact O-N 3.39Å; V680-G682 PolarHBondContact O-N 3.35Å; V680-L683 PolarHBondContact O-N 2.92Å; V680-Y684 HydrophobicContact CG1-CD2 3.81Å; V680-Y684 HydrophobicContact CG1-CE2 3.44Å; V680-Y684 VanDerWaalsContact CG1-CE2 3.44Å; V680-Y684 WeakPolarHBondContact O-CD2 3.46Å; V680-Y684 PolarHBondContact O-N 3.31Å; V680-L715 HydrophobicContact CB-CD2 4.14Å; V680-L715 HydrophobicContact CG1-CD2 3.8Å
681M90.8Very high91.1Very high8 Ų813.9 Ų13.94%0.0398%0.075CC..Hα-helixtrans-59.5-46.8173.2-75.5-175-6200111.6A677 V678 L683 Y684 E685 L715 L719 P734A677-M681 WeakPolarHBondContact O-CB 3.49Å; A677-M681 WeakPolarHBondContact O-CE 3.16Å; A677-M681 VanDerWaalsContact O-CG 3.31Å; A677-M681 WeakPolarHBondContact O-CG 3.21Å; A677-M681 PolarHBondContact O-N 3.42Å; V678-M681 HydrophobicContact CG2-CE 4.24Å; M681-L683 VanDerWaalsContact C-N 3.31Å; M681-L683 PolarHBondContact O-N 2.96Å; M681-Y684 PolarHBondContact O-N 3.49Å; M681-E685 WeakPolarHBondContact O-CG 3.44Å; M681-E685 PolarHBondContact O-N 3.44Å; M681-L715 HydrophobicContact CG-CB 4.47Å; M681-L715 HydrophobicContact CG-CD2 3.7Å; M681-L715 HydrophobicContact CG-CG 3.98Å; M681-L715 HydrophobicContact SD-CG 4.41Å; M681-L719 HydrophobicContact CE-CD1 3.3Å; M681-L719 HydrophobicContact SD-CD1 3.81Å; M681-P734 HydrophobicContact CE-CG 3.76Å
682G91.2Very high91.3Very high4 Ų413.1 Ų13.14%0.0417%0.069CC..Hα-helixtrans-62.5-35.4177.400000113.4V678 L679 V680 E685 V686V678-G682 PolarHBondContact O-N 2.6Å; L679-G682 PolarHBondContact O-N 3.31Å; V680-G682 PolarHBondContact O-N 3.35Å; G682-E685 PolarHBondContact O-N 2.84Å; G682-V686 VanDerWaalsContact O-CG2 3.3Å; G682-V686 WeakPolarHBondContact O-CG2 3.22Å; G682-V686 PolarHBondContact O-N 2.74Å
683L92.8Very high91.1Very high0 Ų013.4 Ų13.40%07%0.072CC..Hα-helixtrans-65.7-43.4173-77.8170.6000111.8V574 L593 A594 V597 M647 L679 V680 M681 E685 V686 L687V574-L683 HydrophobicContact CG1-CD1 4.35Å; V574-L683 HydrophobicContact CG2-CD1 4.03Å; L593-L683 HydrophobicContact CD2-CD1 4.04Å; L593-L683 HydrophobicContact CG-CD1 4.36Å; L593-L683 HydrophobicContact CG-CD2 4.39Å; A594-L683 HydrophobicContact CB-CG 4.26Å; V597-L683 HydrophobicContact CB-CD2 4.05Å; V597-L683 HydrophobicContact CG1-CD2 4.43Å; V597-L683 HydrophobicContact CG2-CD2 3.73Å; M647-L683 HydrophobicContact CE-CB 4.42Å; L679-L683 WeakPolarHBondContact O-CG 3.46Å; L679-L683 PolarHBondContact O-N 3.28Å; V680-L683 PolarHBondContact O-N 2.92Å; M681-L683 VanDerWaalsContact C-N 3.31Å; M681-L683 PolarHBondContact O-N 2.96Å; L683-E685 VanDerWaalsContact C-N 3.33Å; L683-E685 PolarHBondContact O-N 2.85Å; L683-V686 PolarHBondContact O-N 2.92Å; L683-L687 WeakPolarHBondContact O-CB 3.4Å; L683-L687 VanDerWaalsContact O-CG 3.25Å; L683-L687 WeakPolarHBondContact O-CG 3.42Å; L683-L687 PolarHBondContact O-N 2.98Å
684Y94.3Very high90.8Very high0 Ų014.9 Ų14.90%08%0.077CC..Hα-helixtrans-59.4-43.5173-76.1-62.2000111.6M647 V680 M681 L687 M688 L708 R711 H712M647-Y684 HydrophobicContact CB-CE1 4.04Å; M647-Y684 HydrophobicContact CE-CD1 4.22Å; M647-Y684 HydrophobicContact CE-CD2 4.35Å; M647-Y684 HydrophobicContact CE-CE1 3.8Å; M647-Y684 HydrophobicContact CE-CE2 3.96Å; M647-Y684 HydrophobicContact CE-CG 4.45Å; M647-Y684 WeakPolarHBondContact O-CE1 3.31Å; M647-Y684 PolarHBondContact O-OH 3.3Å; M647-Y684 VanDerWaalsContact O-OH 3.1Å; V680-Y684 HydrophobicContact CG1-CD2 3.81Å; V680-Y684 HydrophobicContact CG1-CE2 3.44Å; V680-Y684 VanDerWaalsContact CG1-CE2 3.44Å; V680-Y684 WeakPolarHBondContact O-CD2 3.46Å; V680-Y684 PolarHBondContact O-N 3.31Å; M681-Y684 PolarHBondContact O-N 3.49Å; Y684-L687 PolarHBondContact O-N 3.38Å; Y684-M688 VanDerWaalsContact O-CG 3.3Å; Y684-M688 WeakPolarHBondContact O-CG 3.48Å; Y684-M688 PolarHBondContact O-N 2.88Å; Y684-L708 HydrophobicContact CD1-CB 4.26Å; Y684-L708 HydrophobicContact CD1-CD2 3.71Å; Y684-L708 HydrophobicContact CE1-CD2 3.93Å; Y684-R711 HydrophobicContact CD1-CB 4.3Å; Y684-R711 HydrophobicContact CE1-CB 3.61Å; Y684-R711 HydrophobicContact CE1-CG 4.28Å; Y684-R711 HydrophobicContact CE2-CB 4.03Å; Y684-R711 VanDerWaalsContact CZ-CB 3.46Å; Y684-H712 HydrophobicContact CD2-CB 4.32Å; Y684-H712 HydrophobicContact CG-CB 4.17Å
685E93.8Very high90.3Very high13 Ų1312.7 Ų12.76%0.0617%0.066CC..Hα-helixtrans-59.7-49.3176.2-70.4-170136.800112.9M681 G682 L683 L687 M688 E689 S736 L737 L738 Y774M681-E685 WeakPolarHBondContact O-CG 3.44Å; M681-E685 PolarHBondContact O-N 3.44Å; G682-E685 PolarHBondContact O-N 2.84Å; L683-E685 VanDerWaalsContact C-N 3.33Å; L683-E685 PolarHBondContact O-N 2.85Å; E685-L687 VanDerWaalsContact C-N 3.33Å; E685-L687 PolarHBondContact O-N 3.45Å; E685-M688 HydrophobicContact CB-CE 4.39Å; E685-M688 HydrophobicContact CG-CE 4.04Å; E685-M688 WeakPolarHBondContact O-CB 3.31Å; E685-M688 PolarHBondContact O-N 3.38Å; E685-E689 PolarHBondContact O-N 2.92Å; E685-S736 VanDerWaalsContact CD-OG 3.27Å; E685-S736 WeakPolarHBondContact OE1-CA 3.34Å; E685-S736 VanDerWaalsContact OE1-CB 3.25Å; E685-S736 WeakPolarHBondContact OE1-CB 3.31Å; E685-S736 PolarHBondContact OE1-OG 3.05Å; E685-S736 VanDerWaalsContact OE2-CA 3.29Å; E685-S736 WeakPolarHBondContact OE2-CA 3.22Å; E685-S736 PolarHBondContact OE2-OG 3.11Å; E685-L737 PolarHBondContact OE2-N 3.31Å; E685-L738 HydrophobicContact CB-CD2 3.89Å; E685-L738 HydrophobicContact CB-CG 4.17Å; E685-L738 HydrophobicContact CG-CG 4.44Å; E685-L738 WeakPolarHBondContact O-CD2 3.48Å; E685-Y774 WeakPolarHBondContact CG-OH 3.49Å; E685-Y774 PolarHBondContact OE1-OH 3.23Å
686V93.4Very high89.8Confident3 Ų317.8 Ų17.82%0.0189%0.093CC..Hα-helixtrans-64.1-38.5179.7170.70000111.9V597 V601 G682 L683 E689 Y690 L737V597-V686 HydrophobicContact CB-CG1 4.27Å; V597-V686 HydrophobicContact CG1-CG1 3.77Å; V601-V686 HydrophobicContact CB-CG1 4.38Å; V601-V686 HydrophobicContact CG2-CG1 3.97Å; G682-V686 VanDerWaalsContact O-CG2 3.3Å; G682-V686 WeakPolarHBondContact O-CG2 3.22Å; G682-V686 PolarHBondContact O-N 2.74Å; L683-V686 PolarHBondContact O-N 2.92Å; V686-E689 PolarHBondContact O-N 3.45Å; V686-Y690 WeakPolarHBondContact O-CB 3.43Å; V686-Y690 PolarHBondContact O-N 3.15Å; V686-L737 HydrophobicContact CG2-CB 4.34Å; V686-L737 HydrophobicContact CG2-CD1 4.31Å
687L93.1Very high89.2Confident0 Ų020.8 Ų20.80%011%0.105CC..Hα-helixtrans-71.3-31.7175.6-66.7173.9000112L640 M643 M647 L683 Y684 E685 N691 L708L640-L687 HydrophobicContact CD2-CD2 4.49Å; M643-L687 HydrophobicContact CG-CD1 4.09Å; M643-L687 HydrophobicContact SD-CD1 4.35Å; M643-L687 HydrophobicContact SD-CD2 4.42Å; M647-L687 HydrophobicContact CB-CD1 4.1Å; M647-L687 HydrophobicContact CG-CD1 3.73Å; L683-L687 WeakPolarHBondContact O-CB 3.4Å; L683-L687 VanDerWaalsContact O-CG 3.25Å; L683-L687 WeakPolarHBondContact O-CG 3.42Å; L683-L687 PolarHBondContact O-N 2.98Å; Y684-L687 PolarHBondContact O-N 3.38Å; E685-L687 VanDerWaalsContact C-N 3.33Å; E685-L687 PolarHBondContact O-N 3.45Å; L687-N691 WeakPolarHBondContact O-CB 3.28Å; L687-N691 PolarHBondContact O-N 3.22Å; L687-N691 PolarHBondContact O-ND2 2.99Å; L687-L708 HydrophobicContact CB-CD1 3.89Å
688M92.8Very high88.9Confident4 Ų424.5 Ų24.52%0.0213%0.125CC..Hα-helixtrans-63.1-46.5170.2-75.4-174-68.100111.4Y684 E685 N691 F692 L705 L708 F709 F771 Y774Y684-M688 VanDerWaalsContact O-CG 3.3Å; Y684-M688 WeakPolarHBondContact O-CG 3.48Å; Y684-M688 PolarHBondContact O-N 2.88Å; E685-M688 HydrophobicContact CB-CE 4.39Å; E685-M688 HydrophobicContact CG-CE 4.04Å; E685-M688 WeakPolarHBondContact O-CB 3.31Å; E685-M688 PolarHBondContact O-N 3.38Å; M688-N691 PolarHBondContact O-N 2.87Å; M688-F692 WeakPolarHBondContact O-CB 3.41Å; M688-F692 PolarHBondContact O-N 3.33Å; M688-L705 HydrophobicContact CB-CG 4.19Å; M688-L705 HydrophobicContact CG-CD2 4.32Å; M688-L705 HydrophobicContact CG-CG 4.17Å; M688-L705 WeakPolarHBondContact O-CD1 3.42Å; M688-L708 HydrophobicContact CG-CB 3.89Å; M688-L708 HydrophobicContact CG-CD1 4.46Å; M688-F709 HydrophobicContact SD-CB 3.62Å; M688-F709 HydrophobicContact SD-CD2 4.34Å; M688-F709 HydrophobicContact SD-CG 4.49Å; M688-F771 HydrophobicContact SD-CE2 4.46Å; M688-Y774 HydrophobicContact CE-CE1 4.02Å
689E92.4Very high88.7Confident4 Ų426.3 Ų26.32%0.01913%0.127CC..Hα-helixtrans-61.3-46.2176.2-178.4162.9166.300111.5H602 E685 V686 F692 I693 L738 S739 F742H602-E689 IonicContact CD2-OE1 3.72Å; H602-E689 IonicContact CE1-OE1 2.73Å; H602-E689 IonicContact NE2-OE1 2.74Å; H602-E689 PolarHBondContact NE2-OE1 3.15Å; H602-E689 IonicContact NE2-OE2 3.92Å; E685-E689 PolarHBondContact O-N 2.92Å; V686-E689 PolarHBondContact O-N 3.45Å; E689-F692 PolarHBondContact O-N 3.4Å; E689-I693 HydrophobicContact CG-CD1 3.89Å; E689-I693 WeakPolarHBondContact O-CD1 3.33Å; E689-I693 VanDerWaalsContact O-CG1 3.28Å; E689-I693 WeakPolarHBondContact O-CG1 3.3Å; E689-I693 PolarHBondContact O-N 3.38Å; E689-I693 VanDerWaalsContact O-N 3.09Å; E689-L738 HydrophobicContact CB-CD2 3.99Å; E689-L738 WeakPolarHBondContact OE2-CA 3.37Å; E689-S739 WeakPolarHBondContact OE1-CB 3.48Å; E689-S739 PolarHBondContact OE1-OG 3.14Å; E689-S739 PolarHBondContact OE2-N 2.96Å; E689-F742 HydrophobicContact CB-CD1 3.87Å; E689-F742 HydrophobicContact CB-CE1 3.95Å; E689-F742 HydrophobicContact CB-CG 4.25Å; E689-F742 HydrophobicContact CB-CZ 4.37Å; E689-F742 VanDerWaalsContact CD-CB 3.43Å; E689-F742 HydrophobicContact CG-CB 3.9Å; E689-F742 HydrophobicContact CG-CD1 3.66Å; E689-F742 HydrophobicContact CG-CD2 4.01Å; E689-F742 HydrophobicContact CG-CE1 4.19Å; E689-F742 HydrophobicContact CG-CE2 4.5Å; E689-F742 HydrophobicContact CG-CG 3.56Å; E689-F742 WeakPolarHBondContact OE1-CB 3.36Å
690Y91.2Very high88.5Confident0 Ų029.6 Ų29.60%015%0.148CC..Hα-helixtrans-59.3-47.8176.3177.5-109.7000113.1V601 L604 L640 V686 I693 R694V601-Y690 HydrophobicContact CB-CD2 4.41Å; V601-Y690 HydrophobicContact CG1-CD2 3.95Å; V601-Y690 HydrophobicContact CG1-CG 4.45Å; V601-Y690 HydrophobicContact CG2-CD2 3.8Å; V601-Y690 HydrophobicContact CG2-CG 4.09Å; L604-Y690 HydrophobicContact CD2-CE2 4Å; L640-Y690 HydrophobicContact CB-CD1 4.36Å; L640-Y690 HydrophobicContact CB-CE1 3.64Å; L640-Y690 HydrophobicContact CB-CE2 4.34Å; L640-Y690 HydrophobicContact CD1-CD2 4.26Å; L640-Y690 HydrophobicContact CD1-CE1 4.46Å; L640-Y690 HydrophobicContact CD1-CE2 3.65Å; V686-Y690 WeakPolarHBondContact O-CB 3.43Å; V686-Y690 PolarHBondContact O-N 3.15Å; Y690-I693 PolarHBondContact O-N 3.3Å; Y690-R694 HydrophobicContact CD2-CG 4.46Å; Y690-R694 HydrophobicContact CE2-CG 4.14Å; Y690-R694 PolarHBondContact O-N 3.1Å; Y690-R694 VanDerWaalsContact OH-CD 3.24Å; Y690-R694 WeakPolarHBondContact OH-CD 3.49Å; Y690-R694 PolarHBondContact OH-NH1 2.77Å
691N90Very high88.1Confident7 Ų732.8 Ų32.84%0.03716%0.16CC..Hα-helixtrans-69.3-34.9-178.8-79.9-74000112.1T644 L687 M688 R694 A695T644-N691 VanDerWaalsContact CG2-ND2 3.26Å; T644-N691 WeakPolarHBondContact CG2-ND2 3.39Å; T644-N691 PolarHBondContact OG1-ND2 2.81Å; T644-N691 VanDerWaalsContact OG1-ND2 3.09Å; L687-N691 WeakPolarHBondContact O-CB 3.28Å; L687-N691 PolarHBondContact O-N 3.22Å; L687-N691 PolarHBondContact O-ND2 2.99Å; M688-N691 PolarHBondContact O-N 2.87Å; N691-R694 PolarHBondContact O-N 2.96Å; N691-A695 WeakPolarHBondContact O-CA 3.48Å; N691-A695 VanDerWaalsContact O-CB 3.23Å; N691-A695 WeakPolarHBondContact O-CB 3.28Å; N691-A695 PolarHBondContact O-N 2.64Å
692F89.1Confident87.9Confident19 Ų1932.5 Ų32.58%0.08316%0.159CC..Hα-helixtrans-61.5-49.7172.8-171.1-86.9000111.4M688 E689 R694 A695 L702 L705 F742 T745 L746 A749 L765M688-F692 WeakPolarHBondContact O-CB 3.41Å; M688-F692 PolarHBondContact O-N 3.33Å; E689-F692 PolarHBondContact O-N 3.4Å; F692-R694 VanDerWaalsContact C-N 3.33Å; F692-R694 PolarHBondContact O-N 3.38Å; F692-A695 WeakPolarHBondContact O-CB 3.33Å; F692-A695 PolarHBondContact O-N 3.08Å; F692-L702 HydrophobicContact CD2-CD2 4.1Å; F692-L705 HydrophobicContact CB-CD1 3.64Å; F692-L705 HydrophobicContact CD2-CD1 4.03Å; F692-L705 HydrophobicContact CG-CD1 4.36Å; F692-F742 HydrophobicContact CB-CE2 3.68Å; F692-F742 HydrophobicContact CB-CZ 4.04Å; F692-F742 HydrophobicContact CD1-CD2 4.28Å; F692-F742 AromaticContact CD1-CE2 3.58Å; F692-F742 HydrophobicContact CD1-CE2 3.58Å; F692-F742 HydrophobicContact CD2-CE2 4.31Å; F692-F742 HydrophobicContact CE1-CE2 4.25Å; F692-F742 AromaticContact CG-CE2 3.6Å; F692-F742 HydrophobicContact CG-CE2 3.6Å; F692-F742 HydrophobicContact CG-CZ 4.2Å; F692-T745 HydrophobicContact CE1-CG2 4.47Å; F692-L746 HydrophobicContact CD2-CD1 3.96Å; F692-L746 HydrophobicContact CE2-CD1 3.62Å; F692-L746 HydrophobicContact CZ-CD1 4.17Å; F692-A749 HydrophobicContact CZ-CB 4.01Å; F692-L765 HydrophobicContact CD2-CD1 4.3Å; F692-L765 HydrophobicContact CE2-CD1 4.02Å
693I85.8Confident87.8Confident52 Ų5236.6 Ų36.627%0.26718%0.177SC..Hα-helixtrans-62.1-41.1-179.1-67166.8000110.8T605 E689 Y690 N696T605-I693 HydrophobicContact CG2-CG2 3.72Å; E689-I693 HydrophobicContact CG-CD1 3.89Å; E689-I693 WeakPolarHBondContact O-CD1 3.33Å; E689-I693 VanDerWaalsContact O-CG1 3.28Å; E689-I693 WeakPolarHBondContact O-CG1 3.3Å; E689-I693 PolarHBondContact O-N 3.38Å; E689-I693 VanDerWaalsContact O-N 3.09Å; Y690-I693 PolarHBondContact O-N 3.3Å; I693-N696 PolarHBondContact O-OD1 2.73Å
694R83.6Confident87.6Confident41 Ų4139.6 Ų39.616%0.15519%0.191CC..Hα-helixtrans-83.1-7.5177.4-71.2-168.672.2-142.8-0.7114.8E641 Y690 N691 F692 N696 R701E641-R694 IonicContact OE1-CZ 3.78Å; E641-R694 VanDerWaalsContact OE1-CZ 3.23Å; E641-R694 IonicContact OE1-NH1 2.73Å; E641-R694 PolarHBondContact OE1-NH1 3.15Å; E641-R694 IonicContact OE1-NH2 3.52Å; E641-R694 PolarHBondContact OE1-NH2 3.22Å; Y690-R694 HydrophobicContact CD2-CG 4.46Å; Y690-R694 HydrophobicContact CE2-CG 4.14Å; Y690-R694 PolarHBondContact O-N 3.1Å; Y690-R694 VanDerWaalsContact OH-CD 3.24Å; Y690-R694 WeakPolarHBondContact OH-CD 3.49Å; Y690-R694 PolarHBondContact OH-NH1 2.77Å; N691-R694 PolarHBondContact O-N 2.96Å; F692-R694 VanDerWaalsContact C-N 3.33Å; F692-R694 PolarHBondContact O-N 3.38Å; R694-N696 VanDerWaalsContact C-N 3.33Å; R694-R701 PolarHBondContact O-NH1 3.13Å
695A78.6Confident87.5Confident4 Ų439.7 Ų39.73%0.03319%0.191CC..Hα-helixtrans-67.2-37.3178.500000111.1N691 F692 Y697 N698 R701 L702N691-A695 WeakPolarHBondContact O-CA 3.48Å; N691-A695 VanDerWaalsContact O-CB 3.23Å; N691-A695 WeakPolarHBondContact O-CB 3.28Å; N691-A695 PolarHBondContact O-N 2.64Å; F692-A695 WeakPolarHBondContact O-CB 3.33Å; F692-A695 PolarHBondContact O-N 3.08Å; A695-Y697 PolarHBondContact O-N 2.89Å; A695-Y697 VanDerWaalsContact O-N 3.17Å; A695-N698 WeakPolarHBondContact O-CB 3.37Å; A695-N698 PolarHBondContact O-N 3.45Å; A695-R701 HydrophobicContact CB-CB 3.78Å; A695-L702 HydrophobicContact CB-CD2 3.75Å; A695-L702 HydrophobicContact CB-CG 4.17Å
696N78Confident87.4Confident135 Ų13539.9 Ų39.972%0.72219%0.193SC*.THydrogen-bonded Turntrans46.440.2-169.8-73.7-10.5000112.1I693 R694 N698I693-N696 PolarHBondContact O-OD1 2.73Å; R694-N696 VanDerWaalsContact C-N 3.33Å; N696-N698 VanDerWaalsContact C-N 3.31Å; N696-N698 PolarHBondContact O-N 3.12Å
697Y78.3Confident87.3Confident69 Ų6942.3 Ų42.327%0.27120%0.204SC..THydrogen-bonded Turntrans62.227.4-174-49.3-85.3000115.1A695 R758 A761 L762A695-Y697 PolarHBondContact O-N 2.89Å; A695-Y697 VanDerWaalsContact O-N 3.17Å; Y697-R758 HydrophobicContact CD1-CB 3.85Å; Y697-R758 HydrophobicContact CD1-CG 3.92Å; Y697-R758 HydrophobicContact CD2-CG 3.93Å; Y697-R758 HydrophobicContact CE1-CB 4.38Å; Y697-R758 HydrophobicContact CE1-CG 4.36Å; Y697-R758 HydrophobicContact CE2-CG 4.38Å; Y697-R758 HydrophobicContact CG-CB 4.04Å; Y697-R758 HydrophobicContact CG-CG 3.69Å; Y697-A761 WeakPolarHBondContact O-CB 3.41Å; Y697-L762 HydrophobicContact CD1-CD1 4.32Å; Y697-L762 HydrophobicContact CD1-CD2 4.17Å; Y697-L762 HydrophobicContact CD1-CG 4.1Å; Y697-L762 HydrophobicContact CE1-CD1 4.19Å; Y697-L762 HydrophobicContact CE1-CD2 4.09Å; Y697-L762 HydrophobicContact CE1-CG 4.29Å
698N85Confident87.3Confident78 Ų7842.3 Ų42.342%0.41720%0.204SC..  trans-76.1123.5165.2-175.9-9.7000110.8A695 N696 T700 R701 L702A695-N698 WeakPolarHBondContact O-CB 3.37Å; A695-N698 PolarHBondContact O-N 3.45Å; N696-N698 VanDerWaalsContact C-N 3.31Å; N696-N698 PolarHBondContact O-N 3.12Å; N698-T700 PolarHBondContact O-N 2.7Å; N698-T700 PolarHBondContact OD1-N 3.39Å; N698-T700 PolarHBondContact OD1-OG1 2.79Å; N698-R701 PolarHBondContact O-N 3.35Å; N698-L702 PolarHBondContact O-N 2.97Å
699K85.6Confident87.3Confident102 Ų10242.2 Ų42.244%0.44320%0.203SC..Hα-helixtrans-52.3-47.3-179.9-175177.1174.4175.80113.7R701 L702 E703 V764K699-R701 VanDerWaalsContact C-N 3.34Å; K699-R701 PolarHBondContact O-N 3.03Å; K699-L702 PolarHBondContact O-N 3.1Å; K699-L702 VanDerWaalsContact O-N 3.09Å; K699-E703 WeakPolarHBondContact CE-OE1 3.47Å; K699-E703 PolarHBondContact O-N 3.27Å; K699-V764 HydrophobicContact CD-CG2 4.5Å; K699-V764 HydrophobicContact CG-CG2 3.84Å
700T86.5Confident87.3Confident78 Ų7845.7 Ų45.748%0.47922%0.219SC..Hα-helixtrans-64.8-37.7-173.858.30000112.5N698 L702 E703 E704N698-T700 PolarHBondContact O-N 2.7Å; N698-T700 PolarHBondContact OD1-N 3.39Å; N698-T700 PolarHBondContact OD1-OG1 2.79Å; T700-L702 VanDerWaalsContact C-N 3.31Å; T700-L702 PolarHBondContact O-N 3.27Å; T700-E703 WeakPolarHBondContact O-CB 3.33Å; T700-E703 PolarHBondContact O-N 2.83Å; T700-E704 WeakPolarHBondContact O-CG 3.29Å; T700-E704 PolarHBondContact O-N 2.85Å
701R84.4Confident87.3Confident68 Ų6847.8 Ų47.826%0.25723%0.227SC..Hα-helixtrans-70.8-25.8176.1-73.3-175.4168178.3-2.9113.1E641 R694 A695 N698 K699 L705E641-R701 IonicContact OE1-NH2 3.95Å; R694-R701 PolarHBondContact O-NH1 3.13Å; A695-R701 HydrophobicContact CB-CB 3.78Å; N698-R701 PolarHBondContact O-N 3.35Å; K699-R701 VanDerWaalsContact C-N 3.34Å; K699-R701 PolarHBondContact O-N 3.03Å; R701-L705 WeakPolarHBondContact O-CB 3.36Å; R701-L705 PolarHBondContact O-N 3.46Å
702L86.6Confident87.4Confident2 Ų248 Ų481%0.0123%0.228CC..Hα-helixtrans-79.3-28.6172.2-62.9-173.5000112.3F692 A695 N698 K699 T700 L705 L706 A761 L765F692-L702 HydrophobicContact CD2-CD2 4.1Å; A695-L702 HydrophobicContact CB-CD2 3.75Å; A695-L702 HydrophobicContact CB-CG 4.17Å; N698-L702 PolarHBondContact O-N 2.97Å; K699-L702 PolarHBondContact O-N 3.1Å; K699-L702 VanDerWaalsContact O-N 3.09Å; T700-L702 VanDerWaalsContact C-N 3.31Å; T700-L702 PolarHBondContact O-N 3.27Å; L702-L705 HydrophobicContact CD2-CD1 4.24Å; L702-L706 WeakPolarHBondContact O-CB 3.43Å; L702-L706 PolarHBondContact O-N 3.09Å; L702-A761 HydrophobicContact CD1-CB 3.87Å; L702-A761 WeakPolarHBondContact CD1-O 3.45Å; L702-L765 HydrophobicContact CB-CD2 4.33Å; L702-L765 HydrophobicContact CB-CG 4.45Å; L702-L765 HydrophobicContact CD1-CD1 4.26Å; L702-L765 HydrophobicContact CD1-CG 4.4Å; L702-L765 HydrophobicContact CD2-CD1 4.23Å
703E88.7Confident87.5Confident89 Ų8948.9 Ų48.942%0.41623%0.232SC..Hα-helixtrans-66.6-43.7167.7-67.1168.8168.900110.9K699 T700 L705 L706 E707 V764K699-E703 WeakPolarHBondContact CE-OE1 3.47Å; K699-E703 PolarHBondContact O-N 3.27Å; T700-E703 WeakPolarHBondContact O-CB 3.33Å; T700-E703 PolarHBondContact O-N 2.83Å; E703-L705 PolarHBondContact O-N 2.87Å; E703-L706 PolarHBondContact O-N 3.46Å; E703-E707 PolarHBondContact O-N 3.39Å; E703-V764 HydrophobicContact CG-CG1 3.76Å; E703-V764 HydrophobicContact CG-CG2 4.19Å
704E89.3Confident87.7Confident64 Ų6451.2 Ų51.230%0.29924%0.24SC..Hα-helixtrans-58.2-43.2172.1-73.2177.2151.400112.4I648 T700 E707 L708I648-E704 HydrophobicContact CD1-CB 3.73Å; I648-E704 HydrophobicContact CD1-CG 3.99Å; T700-E704 WeakPolarHBondContact O-CG 3.29Å; T700-E704 PolarHBondContact O-N 2.85Å; E704-E707 PolarHBondContact O-N 2.99Å; E704-L708 WeakPolarHBondContact O-CG 3.35Å; E704-L708 PolarHBondContact O-N 2.96Å
705L91.3Very high87.9Confident1 Ų149.2 Ų49.21%0.00523%0.233CC..Hα-helixtrans-60.7-42.8174.1-175.6163.3000112M688 F692 R701 L702 E703 E707 L708 F709 L765 F771M688-L705 HydrophobicContact CB-CG 4.19Å; M688-L705 HydrophobicContact CG-CD2 4.32Å; M688-L705 HydrophobicContact CG-CG 4.17Å; M688-L705 WeakPolarHBondContact O-CD1 3.42Å; F692-L705 HydrophobicContact CB-CD1 3.64Å; F692-L705 HydrophobicContact CD2-CD1 4.03Å; F692-L705 HydrophobicContact CG-CD1 4.36Å; R701-L705 WeakPolarHBondContact O-CB 3.36Å; R701-L705 PolarHBondContact O-N 3.46Å; L702-L705 HydrophobicContact CD2-CD1 4.24Å; E703-L705 PolarHBondContact O-N 2.87Å; L705-E707 VanDerWaalsContact C-N 3.33Å; L705-E707 PolarHBondContact O-N 3.39Å; L705-L708 WeakPolarHBondContact O-CB 3.25Å; L705-L708 PolarHBondContact O-N 3.04Å; L705-F709 PolarHBondContact O-N 2.96Å; L705-L765 HydrophobicContact CD2-CD2 3.97Å; L705-F771 HydrophobicContact CD2-CD2 4.49Å; L705-F771 HydrophobicContact CD2-CE2 3.62Å; L705-F771 HydrophobicContact CD2-CZ 3.7Å
706L90.9Very high88.4Confident18 Ų1850.3 Ų50.39%0.09424%0.24CC..Hα-helixtrans-67.1-35.7-178.8-153.4162.8000111.1L702 E703 F709 H710 V764L702-L706 WeakPolarHBondContact O-CB 3.43Å; L702-L706 PolarHBondContact O-N 3.09Å; E703-L706 PolarHBondContact O-N 3.46Å; L706-F709 WeakPolarHBondContact O-CB 3.49Å; L706-F709 PolarHBondContact O-N 3.35Å; L706-H710 WeakPolarHBondContact CD2-CE1 3.38Å; L706-H710 VanDerWaalsContact CD2-NE2 3.26Å; L706-H710 WeakPolarHBondContact CD2-NE2 3.28Å; L706-H710 PolarHBondContact O-N 3.43Å; L706-V764 HydrophobicContact CD1-CG1 3.72Å; L706-V764 VanDerWaalsContact CD1-O 3.29Å; L706-V764 WeakPolarHBondContact CD1-O 3.39Å
707E92.1Very high88.8Confident54 Ų5446.4 Ų46.425%0.25222%0.217SC..Hα-helixtrans-70.6-37.7172.8-172.856.6-162.900112.7I648 E703 E704 L705 F709 H710 R711I648-E707 HydrophobicContact CG2-CB 4.4Å; I648-E707 HydrophobicContact CG2-CG 3.84Å; E703-E707 PolarHBondContact O-N 3.39Å; E704-E707 PolarHBondContact O-N 2.99Å; L705-E707 VanDerWaalsContact C-N 3.33Å; L705-E707 PolarHBondContact O-N 3.39Å; E707-F709 PolarHBondContact O-N 2.88Å; E707-H710 PolarHBondContact O-N 3.47Å; E707-H710 VanDerWaalsContact O-N 3.16Å; E707-H710 IonicContact OE2-CG 2.84Å; E707-H710 IonicContact OE2-ND1 2.88Å; E707-H710 PolarHBondContact OE2-ND1 3.36Å; E707-R711 WeakPolarHBondContact O-CG 3.36Å; E707-R711 PolarHBondContact O-N 3.4Å; E707-R711 VanDerWaalsContact O-N 3.1Å; E707-R711 IonicContact OE1-CZ 2.82Å; E707-R711 VanDerWaalsContact OE1-CZ 3.32Å; E707-R711 IonicContact OE1-NE 3.13Å; E707-R711 PolarHBondContact OE1-NE 2.96Å; E707-R711 IonicContact OE1-NH2 2.98Å; E707-R711 PolarHBondContact OE1-NH2 2.84Å
708L92.6Very high89.2Confident0 Ų043.4 Ų43.40%021%0.206CC..Hα-helixtrans-56.1-41.4167.7-69.9170.7000111.2T644 M647 I648 Y684 L687 M688 E704 L705 R711 H712T644-L708 HydrophobicContact CG2-CD1 4.39Å; M647-L708 HydrophobicContact CB-CD2 4.06Å; I648-L708 HydrophobicContact CD1-CD2 4.47Å; I648-L708 HydrophobicContact CD1-CG 4.25Å; I648-L708 HydrophobicContact CG1-CD2 3.66Å; I648-L708 HydrophobicContact CG1-CG 3.78Å; Y684-L708 HydrophobicContact CD1-CB 4.26Å; Y684-L708 HydrophobicContact CD1-CD2 3.71Å; Y684-L708 HydrophobicContact CE1-CD2 3.93Å; L687-L708 HydrophobicContact CB-CD1 3.89Å; M688-L708 HydrophobicContact CG-CB 3.89Å; M688-L708 HydrophobicContact CG-CD1 4.46Å; E704-L708 WeakPolarHBondContact O-CG 3.35Å; E704-L708 PolarHBondContact O-N 2.96Å; L705-L708 WeakPolarHBondContact O-CB 3.25Å; L705-L708 PolarHBondContact O-N 3.04Å; L708-R711 PolarHBondContact O-N 2.94Å; L708-H712 WeakPolarHBondContact O-CB 3.34Å; L708-H712 PolarHBondContact O-N 3.47Å
709F93.5Very high89.1Confident1 Ų141.1 Ų41.10%0.00419%0.194CC..Hα-helixtrans-63.1-43174.7169.3-104.2000112.6M688 L705 L706 E707 R711 H712 H713 E770 F771 Y774M688-F709 HydrophobicContact SD-CB 3.62Å; M688-F709 HydrophobicContact SD-CD2 4.34Å; M688-F709 HydrophobicContact SD-CG 4.49Å; L705-F709 PolarHBondContact O-N 2.96Å; L706-F709 WeakPolarHBondContact O-CB 3.49Å; L706-F709 PolarHBondContact O-N 3.35Å; E707-F709 PolarHBondContact O-N 2.88Å; F709-R711 VanDerWaalsContact C-N 3.33Å; F709-R711 PolarHBondContact O-N 3.24Å; F709-H712 WeakPolarHBondContact O-CB 3.26Å; F709-H712 PolarHBondContact O-N 3.11Å; F709-H713 HydrophobicContact CE1-CB 4.35Å; F709-H713 HydrophobicContact CE2-CB 4.25Å; F709-H713 HydrophobicContact CZ-CB 4.04Å; F709-H713 WeakPolarHBondContact O-CB 3.29Å; F709-H713 PolarHBondContact O-N 3.33Å; F709-E770 HydrophobicContact CE1-CB 4.07Å; F709-E770 HydrophobicContact CZ-CB 4.21Å; F709-F771 HydrophobicContact CB-CD2 3.93Å; F709-F771 HydrophobicContact CB-CE2 4.39Å; F709-F771 HydrophobicContact CD1-CB 3.96Å; F709-F771 HydrophobicContact CD1-CD2 4.01Å; F709-F771 HydrophobicContact CD1-CG 4.49Å; F709-F771 AromaticContact CD2-CD2 3.8Å; F709-F771 HydrophobicContact CD2-CD2 3.8Å; F709-F771 HydrophobicContact CE1-CB 3.92Å; F709-F771 HydrophobicContact CE2-CD2 4.37Å; F709-F771 HydrophobicContact CG-CB 4.41Å; F709-F771 AromaticContact CG-CD2 3.61Å; F709-F771 HydrophobicContact CG-CD2 3.61Å; F709-F771 HydrophobicContact CG-CE2 4.44Å; F709-F771 HydrophobicContact CG-CG 4.49Å; F709-F771 HydrophobicContact CZ-CB 4.35Å; F709-Y774 AromaticContact CD2-CD1 3.74Å; F709-Y774 HydrophobicContact CD2-CD1 3.74Å; F709-Y774 HydrophobicContact CD2-CE1 4.18Å; F709-Y774 HydrophobicContact CD2-CG 4.17Å; F709-Y774 AromaticContact CE2-CD1 3.56Å; F709-Y774 HydrophobicContact CE2-CD1 3.56Å; F709-Y774 HydrophobicContact CE2-CD2 4.26Å; F709-Y774 HydrophobicContact CE2-CE1 4.33Å; F709-Y774 AromaticContact CE2-CG 3.52Å; F709-Y774 HydrophobicContact CE2-CG 3.52Å; F709-Y774 HydrophobicContact CZ-CG 4.43Å
710H92.7Very high88.9Confident77 Ų7740.7 Ų40.736%0.35619%0.192SC..Hα-helixtrans-59.5-43.4177.2-69.5151.2000112.1L706 E707 H713 K714L706-H710 WeakPolarHBondContact CD2-CE1 3.38Å; L706-H710 VanDerWaalsContact CD2-NE2 3.26Å; L706-H710 WeakPolarHBondContact CD2-NE2 3.28Å; L706-H710 PolarHBondContact O-N 3.43Å; E707-H710 PolarHBondContact O-N 3.47Å; E707-H710 VanDerWaalsContact O-N 3.16Å; E707-H710 IonicContact OE2-CG 2.84Å; E707-H710 IonicContact OE2-ND1 2.88Å; E707-H710 PolarHBondContact OE2-ND1 3.36Å; H710-H713 PolarHBondContact O-N 2.94Å; H710-K714 WeakPolarHBondContact O-CB 3.49Å; H710-K714 PolarHBondContact O-N 3.15Å
711R91.1Very high88.6Confident45 Ų4542.6 Ų42.617%0.1720%0.195CC..Hα-helixtrans-63.4-45.1177.1-59-70.3159.4161.9-9.5111.3C650 E651 Y684 E707 L708 F709 K714 L715C650-R711 PolarHBondContact O-NH1 2.86Å; E651-R711 IonicContact OE1-NH1 3.62Å; E651-R711 PolarHBondContact OE1-NH1 2.67Å; Y684-R711 HydrophobicContact CD1-CB 4.3Å; Y684-R711 HydrophobicContact CE1-CB 3.61Å; Y684-R711 HydrophobicContact CE1-CG 4.28Å; Y684-R711 HydrophobicContact CE2-CB 4.03Å; Y684-R711 VanDerWaalsContact CZ-CB 3.46Å; E707-R711 WeakPolarHBondContact O-CG 3.36Å; E707-R711 PolarHBondContact O-N 3.4Å; E707-R711 VanDerWaalsContact O-N 3.1Å; E707-R711 IonicContact OE1-CZ 2.82Å; E707-R711 VanDerWaalsContact OE1-CZ 3.32Å; E707-R711 IonicContact OE1-NE 3.13Å; E707-R711 PolarHBondContact OE1-NE 2.96Å; E707-R711 IonicContact OE1-NH2 2.98Å; E707-R711 PolarHBondContact OE1-NH2 2.84Å; L708-R711 PolarHBondContact O-N 2.94Å; F709-R711 VanDerWaalsContact C-N 3.33Å; F709-R711 PolarHBondContact O-N 3.24Å; R711-K714 PolarHBondContact O-N 3.42Å; R711-L715 PolarHBondContact O-N 3.45Å
712H91.9Very high88.3Confident11 Ų1143.9 Ų43.95%0.05120%0.203CC..Hα-helixtrans-58.3-46.1171.9173.6-99.6000112.7Y684 L708 F709 L715 S716 Y774Y684-H712 HydrophobicContact CD2-CB 4.32Å; Y684-H712 HydrophobicContact CG-CB 4.17Å; L708-H712 WeakPolarHBondContact O-CB 3.34Å; L708-H712 PolarHBondContact O-N 3.47Å; F709-H712 WeakPolarHBondContact O-CB 3.26Å; F709-H712 PolarHBondContact O-N 3.11Å; H712-L715 PolarHBondContact O-N 3.47Å; H712-S716 WeakPolarHBondContact O-CB 3.49Å; H712-S716 PolarHBondContact O-N 2.93Å; H712-Y774 AromaticContact CE1-CE2 3.64Å; H712-Y774 AromaticContact CE1-CZ 3.88Å
713H90.3Very high87.3Confident37 Ų3746 Ų4617%0.17122%0.218CC..Hα-helixtrans-65.6-42.4-178.1-168.737.4000111.8F709 H710 L715 S716 E717 E770F709-H713 HydrophobicContact CE1-CB 4.35Å; F709-H713 HydrophobicContact CE2-CB 4.25Å; F709-H713 HydrophobicContact CZ-CB 4.04Å; F709-H713 WeakPolarHBondContact O-CB 3.29Å; F709-H713 PolarHBondContact O-N 3.33Å; H710-H713 PolarHBondContact O-N 2.94Å; H713-L715 VanDerWaalsContact C-N 3.32Å; H713-L715 PolarHBondContact O-N 3.18Å; H713-S716 WeakPolarHBondContact O-CB 3.32Å; H713-S716 PolarHBondContact O-N 3.1Å; H713-S716 VanDerWaalsContact O-N 3.15Å; H713-E717 IonicContact CE1-OE1 3.31Å; H713-E717 PolarHBondContact CE1-OE1 2.81Å; H713-E717 VanDerWaalsContact CE1-OE1 3.3Å; H713-E717 IonicContact ND1-OE1 2.99Å; H713-E717 PolarHBondContact O-N 3.04Å; H713-E770 IonicContact CD2-OE2 2.94Å; H713-E770 IonicContact NE2-OE2 3.75Å
714K90.3Very high85.5Confident101 Ų10144.8 Ų44.844%0.43923%0.229SC..Hα-helixtrans-54.8-45.6175-169.2-176.7179.6-1780111.6L652 H710 R711 I718L652-K714 HydrophobicContact CD1-CB 4.38Å; L652-K714 HydrophobicContact CD1-CD 3.88Å; L652-K714 HydrophobicContact CD1-CG 3.81Å; L652-K714 HydrophobicContact CG-CD 4.36Å; H710-K714 WeakPolarHBondContact O-CB 3.49Å; H710-K714 PolarHBondContact O-N 3.15Å; R711-K714 PolarHBondContact O-N 3.42Å; K714-I718 WeakPolarHBondContact O-CG1 3.44Å; K714-I718 PolarHBondContact O-N 3.13Å
715L88.6Confident83.4Confident0 Ų051.6 Ų51.60%026%0.258CS..Hα-helixtrans-69.2-40.4176.7-177.354.1000112.4L652 L657 A677 V680 M681 R711 H712 H713 E717 I718 L719L652-L715 HydrophobicContact CD1-CB 4.45Å; L652-L715 HydrophobicContact CD2-CB 4.09Å; L652-L715 HydrophobicContact CD2-CD1 4.4Å; L652-L715 HydrophobicContact CD2-CD2 4.47Å; L657-L715 HydrophobicContact CB-CD1 4.32Å; L657-L715 HydrophobicContact CD1-CD1 4.47Å; L657-L715 HydrophobicContact CD1-CD2 4.39Å; A677-L715 HydrophobicContact CB-CD1 4.1Å; A677-L715 HydrophobicContact CB-CD2 4.35Å; A677-L715 HydrophobicContact CB-CG 4.48Å; V680-L715 HydrophobicContact CB-CD2 4.14Å; V680-L715 HydrophobicContact CG1-CD2 3.8Å; M681-L715 HydrophobicContact CG-CB 4.47Å; M681-L715 HydrophobicContact CG-CD2 3.7Å; M681-L715 HydrophobicContact CG-CG 3.98Å; M681-L715 HydrophobicContact SD-CG 4.41Å; R711-L715 PolarHBondContact O-N 3.45Å; H712-L715 PolarHBondContact O-N 3.47Å; H713-L715 VanDerWaalsContact C-N 3.32Å; H713-L715 PolarHBondContact O-N 3.18Å; L715-E717 PolarHBondContact O-N 2.81Å; L715-I718 PolarHBondContact O-N 3.26Å; L715-L719 PolarHBondContact O-N 3.31Å
716S87.9Confident81Confident26 Ų2653.9 Ų53.918%0.18228%0.282CS..Hα-helixtrans-60.6-42.8177.3-166.50000112.7H712 H713 L719 K720H712-S716 WeakPolarHBondContact O-CB 3.49Å; H712-S716 PolarHBondContact O-N 2.93Å; H713-S716 WeakPolarHBondContact O-CB 3.32Å; H713-S716 PolarHBondContact O-N 3.1Å; H713-S716 VanDerWaalsContact O-N 3.15Å; S716-L719 PolarHBondContact O-N 3.4Å; S716-K720 WeakPolarHBondContact O-CG 3.31Å; S716-K720 PolarHBondContact O-N 2.93Å; S716-K720 WeakPolarHBondContact OG-CE 3.48Å
717E86.9Confident78.2Confident53 Ų5365.9 Ų65.925%0.24833%0.326CS..Hα-helixtrans-68.6-37.3177.4-64.9-59.5102.900112H713 L715 L719 K720 E721 R834H713-E717 IonicContact CE1-OE1 3.31Å; H713-E717 PolarHBondContact CE1-OE1 2.81Å; H713-E717 VanDerWaalsContact CE1-OE1 3.3Å; H713-E717 IonicContact ND1-OE1 2.99Å; H713-E717 PolarHBondContact O-N 3.04Å; L715-E717 PolarHBondContact O-N 2.81Å; E717-L719 VanDerWaalsContact C-N 3.33Å; E717-L719 PolarHBondContact O-N 3.28Å; E717-K720 WeakPolarHBondContact O-CB 3.37Å; E717-K720 PolarHBondContact O-N 3.02Å; E717-K720 VanDerWaalsContact O-N 3.12Å; E717-K720 WeakPolarHBondContact OE1-CD 3.44Å; E717-K720 WeakPolarHBondContact OE1-CE 3.36Å; E717-K720 IonicContact OE1-NZ 2.73Å; E717-K720 PolarHBondContact OE1-NZ 3.1Å; E717-E721 WeakPolarHBondContact O-CG 3.26Å; E717-E721 PolarHBondContact O-N 3.04Å; E717-R834 IonicContact OE2-NH2 2.78Å; E717-R834 PolarHBondContact OE2-NH2 2.96Å
718I86.3Confident75.4Confident7 Ų765.4 Ų65.44%0.03634%0.335CS..Hα-helixtrans-59.3-43.5175.1-70.2165.5000111.1L652 K659 F663 K714 L715 K720 E721 K722L652-I718 HydrophobicContact CD1-CD1 3.45Å; L652-I718 VanDerWaalsContact CD1-CD1 3.45Å; K659-I718 HydrophobicContact CG-CD1 4.19Å; K659-I718 HydrophobicContact CG-CG1 4.23Å; F663-I718 HydrophobicContact CE2-CG2 4Å; K714-I718 WeakPolarHBondContact O-CG1 3.44Å; K714-I718 PolarHBondContact O-N 3.13Å; L715-I718 PolarHBondContact O-N 3.26Å; I718-K720 VanDerWaalsContact C-N 3.32Å; I718-K720 PolarHBondContact O-N 3.32Å; I718-E721 PolarHBondContact O-N 3.12Å; I718-K722 HydrophobicContact CG2-CG 4.3Å; I718-K722 WeakPolarHBondContact O-CB 3.25Å; I718-K722 WeakPolarHBondContact O-CG 3.35Å; I718-K722 PolarHBondContact O-N 3.18Å
719L83.4Confident72.6Confident29 Ų2971.8 Ų71.815%0.15238%0.377CS..Hα-helixtrans-65.4-34176.5-67.4174.8000112.6F663 A677 M681 L715 S716 E717 S723F663-L719 HydrophobicContact CD1-CD2 3.66Å; F663-L719 HydrophobicContact CE1-CD2 3.79Å; F663-L719 HydrophobicContact CG-CD2 4.06Å; F663-L719 HydrophobicContact CZ-CD2 4.3Å; A677-L719 HydrophobicContact CB-CD1 4.08Å; A677-L719 HydrophobicContact CB-CD2 4.2Å; M681-L719 HydrophobicContact CE-CD1 3.3Å; M681-L719 HydrophobicContact SD-CD1 3.81Å; L715-L719 PolarHBondContact O-N 3.31Å; S716-L719 PolarHBondContact O-N 3.4Å; E717-L719 VanDerWaalsContact C-N 3.33Å; E717-L719 PolarHBondContact O-N 3.28Å; L719-S723 VanDerWaalsContact O-CB 3.32Å; L719-S723 WeakPolarHBondContact O-CB 3.31Å; L719-S723 PolarHBondContact O-N 2.92Å; L719-S723 PolarHBondContact O-OG 3.11Å
720K81.6Confident69.8Low93 Ų9376 Ų7640%0.40441%0.407SS..Hα-helixtrans-69.5-44.9173.8-67.5169.6-160.1166.80111.8S716 E717 I718 K722 S723 G724S716-K720 WeakPolarHBondContact O-CG 3.31Å; S716-K720 PolarHBondContact O-N 2.93Å; S716-K720 WeakPolarHBondContact OG-CE 3.48Å; E717-K720 WeakPolarHBondContact O-CB 3.37Å; E717-K720 PolarHBondContact O-N 3.02Å; E717-K720 VanDerWaalsContact O-N 3.12Å; E717-K720 WeakPolarHBondContact OE1-CD 3.44Å; E717-K720 WeakPolarHBondContact OE1-CE 3.36Å; E717-K720 IonicContact OE1-NZ 2.73Å; E717-K720 PolarHBondContact OE1-NZ 3.1Å; I718-K720 VanDerWaalsContact C-N 3.32Å; I718-K720 PolarHBondContact O-N 3.32Å; K720-K722 VanDerWaalsContact C-N 3.33Å; K720-K722 PolarHBondContact O-N 2.58Å; K720-S723 PolarHBondContact O-N 3.27Å; K720-S723 PolarHBondContact O-OG 3.36Å; K720-G724 PolarHBondContact O-N 2.91Å
721E80.9Confident67.1Low119 Ų11977.8 Ų77.856%0.55642%0.415SS*.Hα-helixtrans-56.8-46.4175.1-75.1-178.6177.100111K659 E717 I718K659-E721 IonicContact NZ-OE1 3.34Å; K659-E721 PolarHBondContact NZ-OE1 2.92Å; K659-E721 IonicContact NZ-OE2 3.24Å; K659-E721 PolarHBondContact NZ-OE2 2.82Å; E717-E721 WeakPolarHBondContact O-CG 3.26Å; E717-E721 PolarHBondContact O-N 3.04Å; I718-E721 PolarHBondContact O-N 3.12Å
722K76.6Confident65.3Low94 Ų9483.4 Ų83.441%0.40944%0.44SS..Hα-helixtrans-75.5-30.4-175.7-65.6-84.9-176.71460113.6K659 A661 F663 I718 K720K659-K722 WeakPolarHBondContact O-CE 3.17Å; K659-K722 PolarHBondContact O-NZ 3.33Å; A661-K722 PolarHBondContact O-NZ 3.24Å; F663-K722 HydrophobicContact CD2-CB 4.42Å; F663-K722 HydrophobicContact CD2-CD 4.37Å; F663-K722 HydrophobicContact CD2-CG 4.05Å; I718-K722 HydrophobicContact CG2-CG 4.3Å; I718-K722 WeakPolarHBondContact O-CB 3.25Å; I718-K722 WeakPolarHBondContact O-CG 3.35Å; I718-K722 PolarHBondContact O-N 3.18Å; K720-K722 VanDerWaalsContact C-N 3.33Å; K720-K722 PolarHBondContact O-N 2.58Å
723S65.7Low63.8Low48 Ų4887.2 Ų87.234%0.33647%0.465SS..Hα-helixtrans-79.1-18.5177.253.50000114.1L719 K720 K725L719-S723 VanDerWaalsContact O-CB 3.32Å; L719-S723 WeakPolarHBondContact O-CB 3.31Å; L719-S723 PolarHBondContact O-N 2.92Å; L719-S723 PolarHBondContact O-OG 3.11Å; K720-S723 PolarHBondContact O-N 3.27Å; K720-S723 PolarHBondContact O-OG 3.36Å; S723-K725 PolarHBondContact O-N 3.04Å
724G52.1Low62.7Low63 Ų6388.7 Ų88.765%0.64948%0.477SS*.THydrogen-bonded Turntrans-67.812.2-170.900000118.9K720K720-G724 PolarHBondContact O-N 2.91Å
725K44.3Very low62.3Low206 Ų20690 Ų9090%0.89648%0.48SS*.THydrogen-bonded Turntrans-125.9-4.4-178.3-73.3-175.5178.31760116.3S723S723-K725 PolarHBondContact O-N 3.04Å
726G40.4Very low62.2Low50 Ų5090.2 Ų90.252%0.51548%0.481SS..  trans-103.1115.2177.900000113.2G728G726-G728 PolarHBondContact O-N 2.91Å
727R33.2Very low62.3Low269 Ų26990.2 Ų90.2100%1.01548%0.479SS*.  trans-74.768.5164.3-83.7-175.2171.3173.6-1.8110.5
728G32.5Very low62.5Low44 Ų4487.9 Ų87.945%0.45447%0.468SS..  trans-109149.1168.900000111.2G726 S730G726-G728 PolarHBondContact O-N 2.91Å; G728-S730 PolarHBondContact O-N 3.47Å
729P34.8Very low62.7Low134 Ų13488 Ų8887%0.8747%0.469SS*.THydrogen-bonded Turntrans-73.9127.3178.129.7-32.4000111
730S33.6Very low63Low90 Ų9086.6 Ų86.663%0.62946%0.462SS*.THydrogen-bonded Turntrans76.850.4166.9-166.80000118.6G728 K732G728-S730 PolarHBondContact O-N 3.47Å; S730-K732 PolarHBondContact O-N 3.26Å
731H36.7Very low63.3Low115 Ų11582.9 Ų82.953%0.53245%0.45SS..  trans-72.177.8146-72.7-67.8000109.5
732K54.3Low63.8Low162 Ų16277.9 Ų77.970%0.70443%0.426SS*.PPolyproline II helixtrans-73.2140.3166.3-72-173.9176.7-161.90108.2S730S730-K732 PolarHBondContact O-N 3.26Å
733T59.5Low64.6Low92 Ų9273.4 Ų73.456%0.56441%0.407SS*.PPolyproline II helixtrans-55.5144.4166.442.80000109.4
734P67.1Low65.8Low67 Ų6771.3 Ų71.344%0.43539%0.392SS..PPolyproline II helixtrans-56.7149.4174.424.6-32.9000109.9M681 Q781M681-P734 HydrophobicContact CE-CG 3.76Å; P734-Q781 PolarHBondContact O-NE2 3.1Å
735R81Confident67.7Low130 Ų13071.9 Ų71.949%0.49138%0.383SS..PPolyproline II helixtrans-76.7134.5176.1-65.1-173.8-178.8173.2-5109Q785 D793R735-Q785 VanDerWaalsContact NH1-NE2 3.2Å; R735-D793 WeakPolarHBondContact CD-OD2 3.43Å; R735-D793 IonicContact CZ-OD2 3.53Å; R735-D793 IonicContact NE-OD2 2.81Å; R735-D793 IonicContact NH1-OD1 3.36Å; R735-D793 PolarHBondContact NH1-OD1 3.45Å; R735-D793 VanDerWaalsContact NH1-OD1 3.12Å; R735-D793 IonicContact NH1-OD2 2.59Å; R735-D793 PolarHBondContact NH1-OD2 2.81Å
736S87.9Confident69.9Low3 Ų362.3 Ų62.32%0.02134%0.342CS..PPolyproline II helixtrans-64.7135.6174.7-176.60000111.5E685 L738 K782E685-S736 VanDerWaalsContact CD-OG 3.27Å; E685-S736 WeakPolarHBondContact OE1-CA 3.34Å; E685-S736 VanDerWaalsContact OE1-CB 3.25Å; E685-S736 WeakPolarHBondContact OE1-CB 3.31Å; E685-S736 PolarHBondContact OE1-OG 3.05Å; E685-S736 VanDerWaalsContact OE2-CA 3.29Å; E685-S736 WeakPolarHBondContact OE2-CA 3.22Å; E685-S736 PolarHBondContact OE2-OG 3.11Å; S736-L738 VanDerWaalsContact C-N 3.31Å; S736-L738 WeakPolarHBondContact OG-CB 3.38Å; S736-L738 WeakPolarHBondContact OG-CG 3.48Å; S736-L738 PolarHBondContact OG-N 3.02Å; S736-K782 WeakPolarHBondContact O-CE 3.21Å; S736-K782 PolarHBondContact O-NZ 3.16Å
737L88.5Confident72.3Confident26 Ų2660 Ų6014%0.13632%0.317CS..  trans-80.2-12.8173.8-60.1-173.1000113.2A594 E685 V686 S739A594-L737 HydrophobicContact CB-CD1 3.44Å; A594-L737 VanDerWaalsContact CB-CD1 3.44Å; E685-L737 PolarHBondContact OE2-N 3.31Å; V686-L737 HydrophobicContact CG2-CB 4.34Å; V686-L737 HydrophobicContact CG2-CD1 4.31Å; L737-S739 PolarHBondContact O-N 2.92Å
738L91.1Very high75Confident4 Ų449.5 Ų49.52%0.02128%0.283CS..SBendtrans-53130177.8-63.5-176.1000110.9E685 E689 S736 F742 V743 Y774 V778 K782E685-L738 HydrophobicContact CB-CD2 3.89Å; E685-L738 HydrophobicContact CB-CG 4.17Å; E685-L738 HydrophobicContact CG-CG 4.44Å; E685-L738 WeakPolarHBondContact O-CD2 3.48Å; E689-L738 HydrophobicContact CB-CD2 3.99Å; E689-L738 WeakPolarHBondContact OE2-CA 3.37Å; S736-L738 VanDerWaalsContact C-N 3.31Å; S736-L738 WeakPolarHBondContact OG-CB 3.38Å; S736-L738 WeakPolarHBondContact OG-CG 3.48Å; S736-L738 PolarHBondContact OG-N 3.02Å; L738-F742 HydrophobicContact CB-CD1 4.17Å; L738-F742 HydrophobicContact CD1-CD1 4.5Å; L738-F742 HydrophobicContact CD1-CE1 4.12Å; L738-F742 HydrophobicContact CD2-CD1 3.95Å; L738-F742 HydrophobicContact CD2-CE1 3.76Å; L738-F742 HydrophobicContact CG-CD1 4.43Å; L738-F742 HydrophobicContact CG-CE1 4.37Å; L738-V743 HydrophobicContact CB-CG2 3.84Å; L738-Y774 HydrophobicContact CD1-CE1 4.25Å; L738-V778 HydrophobicContact CB-CG1 4.33Å; L738-V778 HydrophobicContact CD1-CG1 4.24Å; L738-V778 HydrophobicContact CD1-CG2 4.49Å; L738-K782 WeakPolarHBondContact O-CE 3.28Å; L738-K782 PolarHBondContact O-NZ 3.12Å; L738-K782 VanDerWaalsContact O-NZ 3.15Å
739S90.8Very high77.6Confident9 Ų947.6 Ų47.66%0.06326%0.263CS..  trans-69.2144.6-176.673.70000111.6E689 L737 G741 F742 V743E689-S739 WeakPolarHBondContact OE1-CB 3.48Å; E689-S739 PolarHBondContact OE1-OG 3.14Å; E689-S739 PolarHBondContact OE2-N 2.96Å; L737-S739 PolarHBondContact O-N 2.92Å; S739-G741 PolarHBondContact O-N 2.87Å; S739-F742 PolarHBondContact O-N 3.11Å; S739-F742 VanDerWaalsContact O-N 3.11Å; S739-F742 WeakPolarHBondContact OG-CB 3.29Å; S739-F742 PolarHBondContact OG-N 2.92Å; S739-F742 VanDerWaalsContact OG-N 3.12Å; S739-V743 WeakPolarHBondContact O-CG2 3.44Å; S739-V743 PolarHBondContact O-N 2.93Å
740M90.1Very high80.1Confident1 Ų141.4 Ų41.41%0.00522%0.223CC..Hα-helixtrans-61.9-32.6-179.4-170.3173.5-177.600112.2S744 L786 T792 T803 F806 L807 M810M740-S744 PolarHBondContact O-N 3.3Å; M740-L786 HydrophobicContact CE-CD2 4.39Å; M740-T792 HydrophobicContact SD-CG2 3.77Å; M740-T803 HydrophobicContact CE-CG2 4.21Å; M740-T803 HydrophobicContact SD-CG2 3.82Å; M740-F806 HydrophobicContact CB-CD2 4.31Å; M740-F806 HydrophobicContact CE-CB 4.17Å; M740-F806 HydrophobicContact CG-CB 4.24Å; M740-F806 HydrophobicContact CG-CD2 4.13Å; M740-F806 HydrophobicContact SD-CD2 4.47Å; M740-L807 HydrophobicContact CE-CD2 3.78Å; M740-L807 HydrophobicContact CE-CG 4.25Å; M740-M810 HydrophobicContact CE-CE 4.24Å; M740-M810 HydrophobicContact CE-SD 4.21Å; M740-M810 HydrophobicContact CG-CE 3.87Å; M740-M810 WeakPolarHBondContact O-CE 3.38Å
741G88.7Confident82.5Confident14 Ų1437.9 Ų37.914%0.14420%0.197CC..Hα-helixtrans-64.8-47.6171.900000112.5S739 V743 S744 T745S739-G741 PolarHBondContact O-N 2.87Å; G741-V743 PolarHBondContact O-N 3.42Å; G741-S744 WeakPolarHBondContact O-CB 3.24Å; G741-S744 PolarHBondContact O-N 3.01Å; G741-T745 PolarHBondContact O-N 3.31Å; G741-T745 VanDerWaalsContact O-N 3.08Å; G741-T745 PolarHBondContact O-OG1 3.25Å
742F91.3Very high84.6Confident14 Ų1436 Ų366%0.06119%0.185CC..Hα-helixtrans-59.6-44.3174.3168.7-117.9000112.1E689 F692 L738 S739 S744 T745 L746E689-F742 HydrophobicContact CB-CD1 3.87Å; E689-F742 HydrophobicContact CB-CE1 3.95Å; E689-F742 HydrophobicContact CB-CG 4.25Å; E689-F742 HydrophobicContact CB-CZ 4.37Å; E689-F742 VanDerWaalsContact CD-CB 3.43Å; E689-F742 HydrophobicContact CG-CB 3.9Å; E689-F742 HydrophobicContact CG-CD1 3.66Å; E689-F742 HydrophobicContact CG-CD2 4.01Å; E689-F742 HydrophobicContact CG-CE1 4.19Å; E689-F742 HydrophobicContact CG-CE2 4.5Å; E689-F742 HydrophobicContact CG-CG 3.56Å; E689-F742 WeakPolarHBondContact OE1-CB 3.36Å; F692-F742 HydrophobicContact CB-CE2 3.68Å; F692-F742 HydrophobicContact CB-CZ 4.04Å; F692-F742 HydrophobicContact CD1-CD2 4.28Å; F692-F742 AromaticContact CD1-CE2 3.58Å; F692-F742 HydrophobicContact CD1-CE2 3.58Å; F692-F742 HydrophobicContact CD2-CE2 4.31Å; F692-F742 HydrophobicContact CE1-CE2 4.25Å; F692-F742 AromaticContact CG-CE2 3.6Å; F692-F742 HydrophobicContact CG-CE2 3.6Å; F692-F742 HydrophobicContact CG-CZ 4.2Å; L738-F742 HydrophobicContact CB-CD1 4.17Å; L738-F742 HydrophobicContact CD1-CD1 4.5Å; L738-F742 HydrophobicContact CD1-CE1 4.12Å; L738-F742 HydrophobicContact CD2-CD1 3.95Å; L738-F742 HydrophobicContact CD2-CE1 3.76Å; L738-F742 HydrophobicContact CG-CD1 4.43Å; L738-F742 HydrophobicContact CG-CE1 4.37Å; S739-F742 PolarHBondContact O-N 3.11Å; S739-F742 VanDerWaalsContact O-N 3.11Å; S739-F742 WeakPolarHBondContact OG-CB 3.29Å; S739-F742 PolarHBondContact OG-N 2.92Å; S739-F742 VanDerWaalsContact OG-N 3.12Å; F742-S744 VanDerWaalsContact C-N 3.28Å; F742-S744 PolarHBondContact O-N 3.28Å; F742-T745 PolarHBondContact O-N 3.15Å; F742-L746 HydrophobicContact CD2-CB 4.5Å; F742-L746 HydrophobicContact CE1-CD2 4Å; F742-L746 HydrophobicContact CE2-CB 4.08Å; F742-L746 HydrophobicContact CZ-CB 4.15Å; F742-L746 HydrophobicContact CZ-CD1 4.29Å; F742-L746 HydrophobicContact CZ-CD2 3.84Å; F742-L746 HydrophobicContact CZ-CG 4.31Å; F742-L746 VanDerWaalsContact O-CB 3.28Å; F742-L746 WeakPolarHBondContact O-CB 3.39Å; F742-L746 PolarHBondContact O-N 2.99Å
743V92.7Very high85.8Confident1 Ų129.6 Ų29.61%0.00616%0.158CC..Hα-helixtrans-61.9-37179.1174.90000111.5L738 S739 G741 I747 V778 A779 M810L738-V743 HydrophobicContact CB-CG2 3.84Å; S739-V743 WeakPolarHBondContact O-CG2 3.44Å; S739-V743 PolarHBondContact O-N 2.93Å; G741-V743 PolarHBondContact O-N 3.42Å; V743-I747 HydrophobicContact CG1-CD1 4.19Å; V743-I747 WeakPolarHBondContact O-CB 3.26Å; V743-I747 WeakPolarHBondContact O-CG1 3.5Å; V743-I747 PolarHBondContact O-N 3.05Å; V743-I747 VanDerWaalsContact O-N 3.09Å; V743-V778 HydrophobicContact CG2-CG1 3.83Å; V743-A779 HydrophobicContact CG1-CB 3.57Å; V743-M810 HydrophobicContact CB-CE 4.17Å; V743-M810 HydrophobicContact CG1-CE 3.95Å
744S92.3Very high86.4Confident3 Ų329.6 Ų29.62%0.02116%0.155CC..Hα-helixtrans-60.7-52.3172.1-170.50000111.3M740 G741 F742 L746 I747 T748 D809M740-S744 PolarHBondContact O-N 3.3Å; G741-S744 WeakPolarHBondContact O-CB 3.24Å; G741-S744 PolarHBondContact O-N 3.01Å; F742-S744 VanDerWaalsContact C-N 3.28Å; F742-S744 PolarHBondContact O-N 3.28Å; S744-L746 PolarHBondContact O-N 3.36Å; S744-I747 PolarHBondContact O-N 2.97Å; S744-T748 WeakPolarHBondContact O-CB 3.44Å; S744-T748 PolarHBondContact O-N 3.47Å; S744-T748 PolarHBondContact O-OG1 3.46Å; S744-D809 WeakPolarHBondContact OG-CB 3.29Å; S744-D809 PolarHBondContact OG-OD2 3.31Å
745T90.6Very high86.9Confident76 Ų7628.2 Ų28.247%0.46615%0.146SC..Hα-helixtrans-61.7-42.8178.7-550000112.5F692 G741 F742 T748 A749F692-T745 HydrophobicContact CE1-CG2 4.47Å; G741-T745 PolarHBondContact O-N 3.31Å; G741-T745 VanDerWaalsContact O-N 3.08Å; G741-T745 PolarHBondContact O-OG1 3.25Å; F742-T745 PolarHBondContact O-N 3.15Å; T745-T748 WeakPolarHBondContact O-CB 3.49Å; T745-T748 PolarHBondContact O-N 3.47Å; T745-A749 WeakPolarHBondContact O-CB 3.43Å; T745-A749 PolarHBondContact O-N 3.24Å
746L90.9Very high86.3Confident4 Ų430.5 Ų30.52%0.02116%0.163CC..Hα-helixtrans-62.2-48.3-179.8177.163.4000111.2F692 F742 S744 T748 A749 L750 F771 A775F692-L746 HydrophobicContact CD2-CD1 3.96Å; F692-L746 HydrophobicContact CE2-CD1 3.62Å; F692-L746 HydrophobicContact CZ-CD1 4.17Å; F742-L746 HydrophobicContact CD2-CB 4.5Å; F742-L746 HydrophobicContact CE1-CD2 4Å; F742-L746 HydrophobicContact CE2-CB 4.08Å; F742-L746 HydrophobicContact CZ-CB 4.15Å; F742-L746 HydrophobicContact CZ-CD1 4.29Å; F742-L746 HydrophobicContact CZ-CD2 3.84Å; F742-L746 HydrophobicContact CZ-CG 4.31Å; F742-L746 VanDerWaalsContact O-CB 3.28Å; F742-L746 WeakPolarHBondContact O-CB 3.39Å; F742-L746 PolarHBondContact O-N 2.99Å; S744-L746 PolarHBondContact O-N 3.36Å; L746-T748 VanDerWaalsContact C-N 3.33Å; L746-A749 PolarHBondContact O-N 3.25Å; L746-L750 HydrophobicContact CD1-CD1 4.07Å; L746-L750 HydrophobicContact CD1-CG 4.21Å; L746-L750 HydrophobicContact CG-CD1 4Å; L746-L750 WeakPolarHBondContact O-CB 3.48Å; L746-L750 VanDerWaalsContact O-CG 3.25Å; L746-L750 WeakPolarHBondContact O-CG 3.44Å; L746-L750 PolarHBondContact O-N 3.01Å; L746-F771 HydrophobicContact CD1-CE1 4.27Å; L746-F771 HydrophobicContact CD1-CZ 4.21Å; L746-F771 HydrophobicContact CD2-CZ 4.32Å; L746-A775 HydrophobicContact CD2-CB 3.76Å; L746-A775 HydrophobicContact CG-CB 4.35Å
747I91Very high85.5Confident1 Ų135.4 Ų35.41%0.00520%0.197CC..Hα-helixtrans-67.2-37.4178.8-74.8-177.1000110.9V743 S744 L750 F751 L776 A779 V813V743-I747 HydrophobicContact CG1-CD1 4.19Å; V743-I747 WeakPolarHBondContact O-CB 3.26Å; V743-I747 WeakPolarHBondContact O-CG1 3.5Å; V743-I747 PolarHBondContact O-N 3.05Å; V743-I747 VanDerWaalsContact O-N 3.09Å; S744-I747 PolarHBondContact O-N 2.97Å; I747-L750 PolarHBondContact O-N 3.5Å; I747-F751 HydrophobicContact CG2-CD2 3.85Å; I747-F751 HydrophobicContact CG2-CE2 4.07Å; I747-F751 WeakPolarHBondContact O-CD2 3.37Å; I747-F751 PolarHBondContact O-N 2.98Å; I747-F751 VanDerWaalsContact O-N 3.1Å; I747-L776 HydrophobicContact CD1-CD1 4.35Å; I747-A779 HydrophobicContact CD1-CB 3.27Å; I747-V813 HydrophobicContact CG2-CB 4.18Å; I747-V813 HydrophobicContact CG2-CG1 3.61Å
748T89.7Confident84.9Confident49 Ų4938.7 Ų38.730%0.30121%0.207SC..Hα-helixtrans-59.8-48172.4-55.20000111.6S744 T745 L746 R752 D753 V813S744-T748 WeakPolarHBondContact O-CB 3.44Å; S744-T748 PolarHBondContact O-N 3.47Å; S744-T748 PolarHBondContact O-OG1 3.46Å; T745-T748 WeakPolarHBondContact O-CB 3.49Å; T745-T748 PolarHBondContact O-N 3.47Å; L746-T748 VanDerWaalsContact C-N 3.33Å; T748-R752 HydrophobicContact CG2-CB 4.4Å; T748-R752 WeakPolarHBondContact O-CA 3.41Å; T748-R752 PolarHBondContact O-N 3.26Å; T748-D753 PolarHBondContact O-N 2.88Å; T748-V813 HydrophobicContact CG2-CG2 4.18Å; T748-V813 WeakPolarHBondContact OG1-CG2 3.38Å
749A87.9Confident84.3Confident4 Ų443.2 Ų43.23%0.03323%0.229CC..Hα-helixtrans-66.4-40.2177.800000112.6F692 T745 L746 F751 L762 R766F692-A749 HydrophobicContact CZ-CB 4.01Å; T745-A749 WeakPolarHBondContact O-CB 3.43Å; T745-A749 PolarHBondContact O-N 3.24Å; L746-A749 PolarHBondContact O-N 3.25Å; A749-F751 PolarHBondContact O-N 3.33Å; A749-L762 HydrophobicContact CB-CD2 4.12Å; A749-R766 PolarHBondContact O-NH2 3.02Å
750L86.4Confident83.8Confident5 Ų550 Ų503%0.02626%0.259CS..Hα-helixtrans-65.5-36.6179.9-75.4174.3000113L746 I747 L765 R766 F771 A775L746-L750 HydrophobicContact CD1-CD1 4.07Å; L746-L750 HydrophobicContact CD1-CG 4.21Å; L746-L750 HydrophobicContact CG-CD1 4Å; L746-L750 WeakPolarHBondContact O-CB 3.48Å; L746-L750 VanDerWaalsContact O-CG 3.25Å; L746-L750 WeakPolarHBondContact O-CG 3.44Å; L746-L750 PolarHBondContact O-N 3.01Å; I747-L750 PolarHBondContact O-N 3.5Å; L750-L765 HydrophobicContact CD2-CB 3.71Å; L750-L765 HydrophobicContact CD2-CD1 4.28Å; L750-R766 HydrophobicContact CD2-CG 4.48Å; L750-R766 PolarHBondContact O-NE 2.97Å; L750-R766 PolarHBondContact O-NH2 3.45Å; L750-F771 HydrophobicContact CD1-CE1 4.18Å; L750-F771 HydrophobicContact CD2-CE1 4.32Å; L750-A775 HydrophobicContact CD1-CB 3.89Å
751F84.3Confident83.4Confident16 Ų1650.1 Ų50.17%0.0726%0.261CS..Hα-helixtrans-111.2-43.5-174.1-58-57.2000115.5I747 A749 V772 V813 W816 R817I747-F751 HydrophobicContact CG2-CD2 3.85Å; I747-F751 HydrophobicContact CG2-CE2 4.07Å; I747-F751 WeakPolarHBondContact O-CD2 3.37Å; I747-F751 PolarHBondContact O-N 2.98Å; I747-F751 VanDerWaalsContact O-N 3.1Å; A749-F751 PolarHBondContact O-N 3.33Å; F751-V772 HydrophobicContact CE1-CG1 3.8Å; F751-V772 HydrophobicContact CZ-CG1 3.69Å; F751-V813 HydrophobicContact CB-CG1 3.92Å; F751-V813 HydrophobicContact CD2-CG1 4Å; F751-V813 HydrophobicContact CG-CG1 4.47Å; F751-W816 HydrophobicContact CB-CE3 4.28Å; F751-W816 HydrophobicContact CB-CZ3 4.16Å; F751-W816 WeakPolarHBondContact O-CH2 3.17Å; F751-W816 WeakPolarHBondContact O-CZ3 3.3Å; F751-R817 HydrophobicContact CB-CB 4.39Å; F751-R817 HydrophobicContact CD1-CB 4.49Å; F751-R817 HydrophobicContact CD1-CG 3.9Å; F751-R817 HydrophobicContact CD2-CB 4.41Å; F751-R817 HydrophobicContact CD2-CG 4.32Å; F751-R817 HydrophobicContact CE1-CG 4.02Å; F751-R817 HydrophobicContact CE2-CG 4.43Å; F751-R817 HydrophobicContact CG-CB 4.19Å; F751-R817 HydrophobicContact CG-CG 4.05Å; F751-R817 HydrophobicContact CZ-CG 4.28Å
752R81.4Confident83.2Confident76 Ų7649.5 Ų49.529%0.28725%0.254SS..THydrogen-bonded Turntrans-92.6-29.6-174.3-81.4-167.3174.4-159.8-9.6114.9T748 N754 S812 V813 W816T748-R752 HydrophobicContact CG2-CB 4.4Å; T748-R752 WeakPolarHBondContact O-CA 3.41Å; T748-R752 PolarHBondContact O-N 3.26Å; R752-N754 PolarHBondContact O-N 2.87Å; R752-N754 VanDerWaalsContact O-N 3.1Å; R752-S812 PolarHBondContact NE-O 3.27Å; R752-S812 VanDerWaalsContact NH2-C 3.28Å; R752-S812 PolarHBondContact NH2-O 3.15Å; R752-V813 HydrophobicContact CG-CG1 4.33Å; R752-V813 HydrophobicContact CG-CG2 4.18Å; R752-W816 HydrophobicContact CG-CB 4.44Å; R752-W816 HydrophobicContact CG-CD2 4.08Å; R752-W816 HydrophobicContact CG-CE3 4.33Å; R752-W816 HydrophobicContact CG-CG 4.1Å
753D78.6Confident82.9Confident26 Ų2651.6 Ų51.614%0.13927%0.27CS..  trans-76.998.6-175.4-167.2-19.9000112.1T748 S755 R758 L762 R766T748-D753 PolarHBondContact O-N 2.88Å; D753-S755 WeakPolarHBondContact OD1-CB 3.42Å; D753-S755 PolarHBondContact OD1-N 3.05Å; D753-S755 PolarHBondContact OD1-OG 2.79Å; D753-R758 VanDerWaalsContact OD2-CD 3.23Å; D753-R758 WeakPolarHBondContact OD2-CD 3.39Å; D753-R758 IonicContact OD2-CZ 2.77Å; D753-R758 IonicContact OD2-NE 3.22Å; D753-R758 IonicContact OD2-NH1 2.64Å; D753-R758 PolarHBondContact OD2-NH1 3.22Å; D753-L762 HydrophobicContact CB-CD1 4.14Å; D753-R766 PolarHBondContact O-NH2 3.39Å
754N72.6Confident82.6Confident93 Ų9352.3 Ų52.350%0.49728%0.275SS..  trans-107.430.5175.8-65-30000112.2R752 Q756 R766R752-N754 PolarHBondContact O-N 2.87Å; R752-N754 VanDerWaalsContact O-N 3.1Å; N754-Q756 PolarHBondContact O-N 2.7Å; N754-R766 PolarHBondContact OD1-NH1 2.63Å
755S77Confident82.3Confident37 Ų3752.2 Ų52.226%0.25927%0.274SS..  trans-72.8127.5175.859.40000111.5D753 S757 R758 E759D753-S755 WeakPolarHBondContact OD1-CB 3.42Å; D753-S755 PolarHBondContact OD1-N 3.05Å; D753-S755 PolarHBondContact OD1-OG 2.79Å; S755-S757 PolarHBondContact O-N 3.14Å; S755-S757 VanDerWaalsContact O-N 3.07Å; S755-R758 PolarHBondContact O-N 3.21Å; S755-R758 VanDerWaalsContact OG-CD 3.25Å; S755-R758 WeakPolarHBondContact OG-CD 3.28Å; S755-R758 WeakPolarHBondContact OG-CG 3.39Å; S755-E759 PolarHBondContact O-N 3.48Å; S755-E759 VanDerWaalsContact O-N 3.09Å
756Q68.4Low82.1Confident178 Ų17852 Ų5283%0.83226%0.264SS*.Hα-helixtrans-55.2-31.1-174.5-69.9177.8-13.100113.6N754 R758N754-Q756 PolarHBondContact O-N 2.7Å; Q756-R758 VanDerWaalsContact C-N 3.31Å; Q756-R758 PolarHBondContact O-N 2.88Å
757S70.9Confident81.8Confident106 Ų10656.4 Ų56.474%0.74130%0.296SS*.Hα-helixtrans-76.1-13.8178.654.10000114.6S755S755-S757 PolarHBondContact O-N 3.14Å; S755-S757 VanDerWaalsContact O-N 3.07Å
758R77.1Confident81.6Confident95 Ų9557.1 Ų57.136%0.35830%0.301SS..Hα-helixtrans-113.5-16.8-178.5-58.5-179.1-176.51632.9113Y697 D753 S755 Q756 E760 A761 L762Y697-R758 HydrophobicContact CD1-CB 3.85Å; Y697-R758 HydrophobicContact CD1-CG 3.92Å; Y697-R758 HydrophobicContact CD2-CG 3.93Å; Y697-R758 HydrophobicContact CE1-CB 4.38Å; Y697-R758 HydrophobicContact CE1-CG 4.36Å; Y697-R758 HydrophobicContact CE2-CG 4.38Å; Y697-R758 HydrophobicContact CG-CB 4.04Å; Y697-R758 HydrophobicContact CG-CG 3.69Å; D753-R758 VanDerWaalsContact OD2-CD 3.23Å; D753-R758 WeakPolarHBondContact OD2-CD 3.39Å; D753-R758 IonicContact OD2-CZ 2.77Å; D753-R758 IonicContact OD2-NE 3.22Å; D753-R758 IonicContact OD2-NH1 2.64Å; D753-R758 PolarHBondContact OD2-NH1 3.22Å; S755-R758 PolarHBondContact O-N 3.21Å; S755-R758 VanDerWaalsContact OG-CD 3.25Å; S755-R758 WeakPolarHBondContact OG-CD 3.28Å; S755-R758 WeakPolarHBondContact OG-CG 3.39Å; Q756-R758 VanDerWaalsContact C-N 3.31Å; Q756-R758 PolarHBondContact O-N 2.88Å; R758-E760 PolarHBondContact O-N 3.03Å; R758-A761 PolarHBondContact O-N 3.45Å; R758-L762 HydrophobicContact CB-CD1 4.03Å; R758-L762 WeakPolarHBondContact O-CG 3.48Å; R758-L762 PolarHBondContact O-N 3.08Å
759E77.8Confident81.2Confident99 Ų9956.6 Ų56.646%0.46331%0.305SS..Hα-helixtrans-58.5-44.5-175.5-174.5168.2-160.800112.9S755 A761 L762 S763S755-E759 PolarHBondContact O-N 3.48Å; S755-E759 VanDerWaalsContact O-N 3.09Å; E759-A761 VanDerWaalsContact C-N 3.28Å; E759-A761 PolarHBondContact O-N 3.39Å; E759-L762 PolarHBondContact O-N 2.86Å; E759-S763 VanDerWaalsContact O-CB 3.32Å; E759-S763 WeakPolarHBondContact O-CB 3.43Å; E759-S763 PolarHBondContact O-N 3.32Å
760E79.8Confident81.1Confident152 Ų15260.1 Ų60.171%0.7132%0.321SS*.Hα-helixtrans-57.7-40.2178.3-66.6-167.9171.600112.6R758 S763R758-E760 PolarHBondContact O-N 3.03Å; E760-S763 PolarHBondContact O-OG 3.1Å
761A81.7Confident81.3Confident4 Ų460 Ų603%0.03332%0.321CS..Hα-helixtrans-76.8-44.6179.900000111.6Y697 L702 R758 E759 S763 V764Y697-A761 WeakPolarHBondContact O-CB 3.41Å; L702-A761 HydrophobicContact CD1-CB 3.87Å; L702-A761 WeakPolarHBondContact CD1-O 3.45Å; R758-A761 PolarHBondContact O-N 3.45Å; E759-A761 VanDerWaalsContact C-N 3.28Å; E759-A761 PolarHBondContact O-N 3.39Å; A761-S763 PolarHBondContact O-N 3.48Å; A761-V764 WeakPolarHBondContact O-CB 2.84Å; A761-V764 PolarHBondContact O-N 3.05Å
762L85.3Confident81.5Confident0 Ų059.8 Ų59.80%032%0.32CS..Hα-helixtrans-66.2-25.3177.1-69.1171.4000112.6Y697 A749 D753 R758 E759 V764 L765 R766Y697-L762 HydrophobicContact CD1-CD1 4.32Å; Y697-L762 HydrophobicContact CD1-CD2 4.17Å; Y697-L762 HydrophobicContact CD1-CG 4.1Å; Y697-L762 HydrophobicContact CE1-CD1 4.19Å; Y697-L762 HydrophobicContact CE1-CD2 4.09Å; Y697-L762 HydrophobicContact CE1-CG 4.29Å; A749-L762 HydrophobicContact CB-CD2 4.12Å; D753-L762 HydrophobicContact CB-CD1 4.14Å; R758-L762 HydrophobicContact CB-CD1 4.03Å; R758-L762 WeakPolarHBondContact O-CG 3.48Å; R758-L762 PolarHBondContact O-N 3.08Å; E759-L762 PolarHBondContact O-N 2.86Å; L762-V764 PolarHBondContact O-N 3.26Å; L762-L765 PolarHBondContact O-N 3.14Å; L762-L765 VanDerWaalsContact O-N 3.17Å; L762-R766 WeakPolarHBondContact O-CB 3.49Å; L762-R766 WeakPolarHBondContact O-CG 3.49Å; L762-R766 PolarHBondContact O-N 3.4Å
763S84.9Confident81.8Confident58 Ų5859.9 Ų59.941%0.40632%0.321SS..Hα-helixtrans-56.9-35.2175.279.70000112.6E759 E760 A761 L765 R766 S767E759-S763 VanDerWaalsContact O-CB 3.32Å; E759-S763 WeakPolarHBondContact O-CB 3.43Å; E759-S763 PolarHBondContact O-N 3.32Å; E760-S763 PolarHBondContact O-OG 3.1Å; A761-S763 PolarHBondContact O-N 3.48Å; S763-L765 PolarHBondContact O-N 2.99Å; S763-R766 PolarHBondContact O-N 3.48Å; S763-S767 WeakPolarHBondContact O-CB 3.05Å; S763-S767 PolarHBondContact O-N 3.33Å
764V86.9Confident82.3Confident17 Ų1760.4 Ų60.410%0.10332%0.321CS..Hα-helixtrans-56.7-53176178.20000109.8K699 E703 L706 A761 L762 S767K699-V764 HydrophobicContact CD-CG2 4.5Å; K699-V764 HydrophobicContact CG-CG2 3.84Å; E703-V764 HydrophobicContact CG-CG1 3.76Å; E703-V764 HydrophobicContact CG-CG2 4.19Å; L706-V764 HydrophobicContact CD1-CG1 3.72Å; L706-V764 VanDerWaalsContact CD1-O 3.29Å; L706-V764 WeakPolarHBondContact CD1-O 3.39Å; A761-V764 WeakPolarHBondContact O-CB 2.84Å; A761-V764 PolarHBondContact O-N 3.05Å; L762-V764 PolarHBondContact O-N 3.26Å; V764-S767 PolarHBondContact O-OG 2.86Å
765L85.6Confident83.2Confident0 Ų056 Ų560%030%0.298CS..Hα-helixtrans-69.2-41179.7-55.3-178.1000112.4F692 L702 L705 L750 L762 S763 S767 S768 F771F692-L765 HydrophobicContact CD2-CD1 4.3Å; F692-L765 HydrophobicContact CE2-CD1 4.02Å; L702-L765 HydrophobicContact CB-CD2 4.33Å; L702-L765 HydrophobicContact CB-CG 4.45Å; L702-L765 HydrophobicContact CD1-CD1 4.26Å; L702-L765 HydrophobicContact CD1-CG 4.4Å; L702-L765 HydrophobicContact CD2-CD1 4.23Å; L705-L765 HydrophobicContact CD2-CD2 3.97Å; L750-L765 HydrophobicContact CD2-CB 3.71Å; L750-L765 HydrophobicContact CD2-CD1 4.28Å; L762-L765 PolarHBondContact O-N 3.14Å; L762-L765 VanDerWaalsContact O-N 3.17Å; S763-L765 PolarHBondContact O-N 2.99Å; L765-S767 VanDerWaalsContact C-N 3.29Å; L765-S767 PolarHBondContact O-N 3.21Å; L765-S768 PolarHBondContact O-N 3.44Å; L765-F771 HydrophobicContact CB-CD1 4.05Å; L765-F771 HydrophobicContact CB-CE1 4.02Å; L765-F771 HydrophobicContact CD1-CE1 4.07Å; L765-F771 HydrophobicContact CD2-CD1 4.28Å; L765-F771 HydrophobicContact CD2-CE1 3.99Å; L765-F771 HydrophobicContact CD2-CZ 4.38Å; L765-F771 HydrophobicContact CG-CE1 4.25Å
766R85.5Confident83.8Confident71 Ų7154.3 Ų54.327%0.26829%0.286SS..Hα-helixtrans-64.2-31.6179.4-72174.5177.7168.97.8112.7A749 L750 D753 N754 L762 S763 S768A749-R766 PolarHBondContact O-NH2 3.02Å; L750-R766 HydrophobicContact CD2-CG 4.48Å; L750-R766 PolarHBondContact O-NE 2.97Å; L750-R766 PolarHBondContact O-NH2 3.45Å; D753-R766 PolarHBondContact O-NH2 3.39Å; N754-R766 PolarHBondContact OD1-NH1 2.63Å; L762-R766 WeakPolarHBondContact O-CB 3.49Å; L762-R766 WeakPolarHBondContact O-CG 3.49Å; L762-R766 PolarHBondContact O-N 3.4Å; S763-R766 PolarHBondContact O-N 3.48Å; R766-S768 VanDerWaalsContact C-N 3.29Å; R766-S768 PolarHBondContact O-N 3.12Å
767S85.1Confident84.9Confident98 Ų9848.7 Ų48.769%0.68527%0.266SS*.Hα-helixtrans-66.9-27.9177.276.30000113.3S763 V764 L765 G769S763-S767 WeakPolarHBondContact O-CB 3.05Å; S763-S767 PolarHBondContact O-N 3.33Å; V764-S767 PolarHBondContact O-OG 2.86Å; L765-S767 VanDerWaalsContact C-N 3.29Å; L765-S767 PolarHBondContact O-N 3.21Å; S767-G769 PolarHBondContact O-N 3.16Å
768S86Confident85.8Confident16 Ų1643.9 Ų43.911%0.11223%0.232CC..  trans-86.291.2176.1-177.60000111.4L765 R766 E770 F771 V772L765-S768 PolarHBondContact O-N 3.44Å; R766-S768 VanDerWaalsContact C-N 3.29Å; R766-S768 PolarHBondContact O-N 3.12Å; S768-E770 PolarHBondContact O-N 3.4Å; S768-E770 VanDerWaalsContact O-N 3.1Å; S768-F771 PolarHBondContact O-N 3.29Å; S768-F771 VanDerWaalsContact O-N 3.07Å; S768-F771 PolarHBondContact OG-N 3.09Å; S768-V772 PolarHBondContact O-N 3.5Å
769G82.4Confident86.6Confident38 Ų3839.4 Ų39.439%0.39222%0.215SC..Hα-helixtrans-60.9-15.7174.500000114.6S767 R773S767-G769 PolarHBondContact O-N 3.16Å; G769-R773 WeakPolarHBondContact O-CB 3.44Å; G769-R773 PolarHBondContact O-N 3.31Å; G769-R773 PolarHBondContact O-NH1 3.01Å
770E86.3Confident87.2Confident77 Ų7735.2 Ų35.236%0.3620%0.197SC..Hα-helixtrans-79.7-44.2171.3-65.2-171.9159.600111.4F709 H713 S768 R773 Y774 R834F709-E770 HydrophobicContact CE1-CB 4.07Å; F709-E770 HydrophobicContact CZ-CB 4.21Å; H713-E770 IonicContact CD2-OE2 2.94Å; H713-E770 IonicContact NE2-OE2 3.75Å; S768-E770 PolarHBondContact O-N 3.4Å; S768-E770 VanDerWaalsContact O-N 3.1Å; E770-R773 PolarHBondContact O-N 2.88Å; E770-Y774 WeakPolarHBondContact O-CB 3.42Å; E770-Y774 PolarHBondContact O-N 3.15Å; E770-R834 IonicContact OE1-NH1 2.64Å
771F89.6Confident87.8Confident4 Ų430.6 Ų30.62%0.01818%0.175CC..Hα-helixtrans-62.7-45.8175.2-179.9-101.6000112.1M688 L705 F709 L746 L750 L765 S768 R773 Y774 A775M688-F771 HydrophobicContact SD-CE2 4.46Å; L705-F771 HydrophobicContact CD2-CD2 4.49Å; L705-F771 HydrophobicContact CD2-CE2 3.62Å; L705-F771 HydrophobicContact CD2-CZ 3.7Å; F709-F771 HydrophobicContact CB-CD2 3.93Å; F709-F771 HydrophobicContact CB-CE2 4.39Å; F709-F771 HydrophobicContact CD1-CB 3.96Å; F709-F771 HydrophobicContact CD1-CD2 4.01Å; F709-F771 HydrophobicContact CD1-CG 4.49Å; F709-F771 AromaticContact CD2-CD2 3.8Å; F709-F771 HydrophobicContact CD2-CD2 3.8Å; F709-F771 HydrophobicContact CE1-CB 3.92Å; F709-F771 HydrophobicContact CE2-CD2 4.37Å; F709-F771 HydrophobicContact CG-CB 4.41Å; F709-F771 AromaticContact CG-CD2 3.61Å; F709-F771 HydrophobicContact CG-CD2 3.61Å; F709-F771 HydrophobicContact CG-CE2 4.44Å; F709-F771 HydrophobicContact CG-CG 4.49Å; F709-F771 HydrophobicContact CZ-CB 4.35Å; L746-F771 HydrophobicContact CD1-CE1 4.27Å; L746-F771 HydrophobicContact CD1-CZ 4.21Å; L746-F771 HydrophobicContact CD2-CZ 4.32Å; L750-F771 HydrophobicContact CD1-CE1 4.18Å; L750-F771 HydrophobicContact CD2-CE1 4.32Å; L765-F771 HydrophobicContact CB-CD1 4.05Å; L765-F771 HydrophobicContact CB-CE1 4.02Å; L765-F771 HydrophobicContact CD1-CE1 4.07Å; L765-F771 HydrophobicContact CD2-CD1 4.28Å; L765-F771 HydrophobicContact CD2-CE1 3.99Å; L765-F771 HydrophobicContact CD2-CZ 4.38Å; L765-F771 HydrophobicContact CG-CE1 4.25Å; S768-F771 PolarHBondContact O-N 3.29Å; S768-F771 VanDerWaalsContact O-N 3.07Å; S768-F771 PolarHBondContact OG-N 3.09Å; F771-R773 VanDerWaalsContact C-N 3.3Å; F771-R773 PolarHBondContact O-N 2.75Å; F771-Y774 HydrophobicContact CD2-CD1 4.39Å; F771-Y774 HydrophobicContact CE2-CD1 4.49Å; F771-Y774 WeakPolarHBondContact O-CB 3.3Å; F771-Y774 PolarHBondContact O-N 2.96Å; F771-Y774 VanDerWaalsContact O-N 3.12Å; F771-A775 PolarHBondContact O-N 2.72Å
772V88.4Confident88.2Confident11 Ų1130.5 Ų30.57%0.06717%0.174CC..Hα-helixtrans-59.4-40.9177.4175.40000111.4F751 S768 L776 L837F751-V772 HydrophobicContact CE1-CG1 3.8Å; F751-V772 HydrophobicContact CZ-CG1 3.69Å; S768-V772 PolarHBondContact O-N 3.5Å; V772-L776 WeakPolarHBondContact O-CB 3.29Å; V772-L776 PolarHBondContact O-N 2.95Å; V772-L837 HydrophobicContact CG1-CD1 4.08Å; V772-L837 HydrophobicContact CG1-CD2 4.38Å
773R87.5Confident88.4Confident78 Ų7830.5 Ų30.529%0.29417%0.174SC..Hα-helixtrans-68.5-38.4175.6-175.4-179.3-76.494.1-5.1112.1G769 E770 F771 S777 C835 L837 L840G769-R773 WeakPolarHBondContact O-CB 3.44Å; G769-R773 PolarHBondContact O-N 3.31Å; G769-R773 PolarHBondContact O-NH1 3.01Å; E770-R773 PolarHBondContact O-N 2.88Å; F771-R773 VanDerWaalsContact C-N 3.3Å; F771-R773 PolarHBondContact O-N 2.75Å; R773-S777 VanDerWaalsContact O-CB 3.28Å; R773-S777 WeakPolarHBondContact O-CB 3.25Å; R773-S777 PolarHBondContact O-N 3.12Å; R773-C835 PolarHBondContact NE-O 2.74Å; R773-L837 HydrophobicContact CB-CD2 3.84Å; R773-L837 HydrophobicContact CG-CD2 4.21Å; R773-L840 HydrophobicContact CG-CD1 4.01Å
774Y89.9Confident88.6Confident36 Ų3630.3 Ų30.314%0.14117%0.167CC..Hα-helixtrans-62.9-51.4175.7164.7-106.9000111.6E685 M688 F709 H712 L738 E770 F771 L776 S777 V778E685-Y774 WeakPolarHBondContact CG-OH 3.49Å; E685-Y774 PolarHBondContact OE1-OH 3.23Å; M688-Y774 HydrophobicContact CE-CE1 4.02Å; F709-Y774 AromaticContact CD2-CD1 3.74Å; F709-Y774 HydrophobicContact CD2-CD1 3.74Å; F709-Y774 HydrophobicContact CD2-CE1 4.18Å; F709-Y774 HydrophobicContact CD2-CG 4.17Å; F709-Y774 AromaticContact CE2-CD1 3.56Å; F709-Y774 HydrophobicContact CE2-CD1 3.56Å; F709-Y774 HydrophobicContact CE2-CD2 4.26Å; F709-Y774 HydrophobicContact CE2-CE1 4.33Å; F709-Y774 AromaticContact CE2-CG 3.52Å; F709-Y774 HydrophobicContact CE2-CG 3.52Å; F709-Y774 HydrophobicContact CZ-CG 4.43Å; H712-Y774 AromaticContact CE1-CE2 3.64Å; H712-Y774 AromaticContact CE1-CZ 3.88Å; L738-Y774 HydrophobicContact CD1-CE1 4.25Å; E770-Y774 WeakPolarHBondContact O-CB 3.42Å; E770-Y774 PolarHBondContact O-N 3.15Å; F771-Y774 HydrophobicContact CD2-CD1 4.39Å; F771-Y774 HydrophobicContact CE2-CD1 4.49Å; F771-Y774 WeakPolarHBondContact O-CB 3.3Å; F771-Y774 PolarHBondContact O-N 2.96Å; F771-Y774 VanDerWaalsContact O-N 3.12Å; Y774-L776 VanDerWaalsContact C-N 3.31Å; Y774-L776 PolarHBondContact O-N 3.34Å; Y774-S777 WeakPolarHBondContact O-CB 3.31Å; Y774-S777 PolarHBondContact O-N 3.09Å; Y774-S777 VanDerWaalsContact O-N 3.08Å; Y774-V778 HydrophobicContact CD2-CG2 4.04Å; Y774-V778 HydrophobicContact CE1-CG2 4.4Å; Y774-V778 HydrophobicContact CE2-CG2 3.54Å; Y774-V778 WeakPolarHBondContact O-CG2 3.49Å; Y774-V778 PolarHBondContact O-N 3.12Å
775A91.3Very high88.6Confident1 Ų130.2 Ų30.21%0.00817%0.165CC..Hα-helixtrans-55.6-46.1178.300000112L746 L750 F771 V778 A779L746-A775 HydrophobicContact CD2-CB 3.76Å; L746-A775 HydrophobicContact CG-CB 4.35Å; L750-A775 HydrophobicContact CD1-CB 3.89Å; F771-A775 PolarHBondContact O-N 2.72Å; A775-V778 PolarHBondContact O-N 3.24Å; A775-A779 PolarHBondContact O-N 2.94Å; A775-A779 VanDerWaalsContact O-N 3.15Å
776L90.3Very high88.7Confident1 Ų130.8 Ų30.81%0.00517%0.168CC..Hα-helixtrans-65.1-40.4176.3-175.958.9000112.5I747 V772 Y774 V778 A779 V780 L814 L837 L840I747-L776 HydrophobicContact CD1-CD1 4.35Å; V772-L776 WeakPolarHBondContact O-CB 3.29Å; V772-L776 PolarHBondContact O-N 2.95Å; Y774-L776 VanDerWaalsContact C-N 3.31Å; Y774-L776 PolarHBondContact O-N 3.34Å; L776-V778 VanDerWaalsContact C-N 3.32Å; L776-V778 PolarHBondContact O-N 3.01Å; L776-A779 PolarHBondContact O-N 2.83Å; L776-V780 WeakPolarHBondContact O-CG2 3.49Å; L776-V780 PolarHBondContact O-N 3.44Å; L776-V780 VanDerWaalsContact O-N 3.09Å; L776-L814 HydrophobicContact CD1-CD2 3.39Å; L776-L837 HydrophobicContact CD2-CB 4.32Å; L776-L837 HydrophobicContact CD2-CD2 4.02Å; L776-L840 HydrophobicContact CD2-CB 3.54Å; L776-L840 HydrophobicContact CD2-CD1 4.24Å; L776-L840 HydrophobicContact CG-CB 3.84Å; L776-L840 HydrophobicContact CG-CD1 4.45Å
777S90.3Very high88.6Confident60 Ų6029.1 Ų29.142%0.4216%0.163SC..Hα-helixtrans-64.1-34.4175.5-173.10000112.7R773 Y774 Q781R773-S777 VanDerWaalsContact O-CB 3.28Å; R773-S777 WeakPolarHBondContact O-CB 3.25Å; R773-S777 PolarHBondContact O-N 3.12Å; Y774-S777 WeakPolarHBondContact O-CB 3.31Å; Y774-S777 PolarHBondContact O-N 3.09Å; Y774-S777 VanDerWaalsContact O-N 3.08Å; S777-Q781 WeakPolarHBondContact O-CB 3.22Å; S777-Q781 PolarHBondContact O-N 3.12Å
778V91.3Very high88.3Confident5 Ų528.5 Ų28.53%0.0315%0.152CC..Hα-helixtrans-68.1-40.9174.9171.60000110.8L738 V743 Y774 A775 L776 Q781 K782L738-V778 HydrophobicContact CB-CG1 4.33Å; L738-V778 HydrophobicContact CD1-CG1 4.24Å; L738-V778 HydrophobicContact CD1-CG2 4.49Å; V743-V778 HydrophobicContact CG2-CG1 3.83Å; Y774-V778 HydrophobicContact CD2-CG2 4.04Å; Y774-V778 HydrophobicContact CE1-CG2 4.4Å; Y774-V778 HydrophobicContact CE2-CG2 3.54Å; Y774-V778 WeakPolarHBondContact O-CG2 3.49Å; Y774-V778 PolarHBondContact O-N 3.12Å; A775-V778 PolarHBondContact O-N 3.24Å; L776-V778 VanDerWaalsContact C-N 3.32Å; L776-V778 PolarHBondContact O-N 3.01Å; V778-Q781 WeakPolarHBondContact O-CB 3.42Å; V778-Q781 PolarHBondContact O-N 3.33Å; V778-K782 HydrophobicContact CG1-CG 4.33Å; V778-K782 WeakPolarHBondContact O-CG 3.45Å; V778-K782 PolarHBondContact O-N 3.43Å
779A92.7Very high88Confident1 Ų130.6 Ų30.61%0.00816%0.164CC..Hα-helixtrans-60.6-47.8174.400000112.4V743 I747 A775 L776 Q781 K782 I783V743-A779 HydrophobicContact CG1-CB 3.57Å; I747-A779 HydrophobicContact CD1-CB 3.27Å; A775-A779 PolarHBondContact O-N 2.94Å; A775-A779 VanDerWaalsContact O-N 3.15Å; L776-A779 PolarHBondContact O-N 2.83Å; A779-Q781 VanDerWaalsContact C-N 3.26Å; A779-Q781 PolarHBondContact O-N 3.05Å; A779-K782 PolarHBondContact O-N 3.19Å; A779-K782 VanDerWaalsContact O-N 3.16Å; A779-I783 WeakPolarHBondContact O-CD1 3.2Å; A779-I783 VanDerWaalsContact O-CG1 3.23Å; A779-I783 WeakPolarHBondContact O-CG1 3.42Å; A779-I783 PolarHBondContact O-N 3.47Å
780V91.3Very high87.6Confident12 Ų1229.8 Ų29.87%0.07316%0.156CC..Hα-helixtrans-60.6-37.5175.4-179.40000111.1L776 Q784 L840L776-V780 WeakPolarHBondContact O-CG2 3.49Å; L776-V780 PolarHBondContact O-N 3.44Å; L776-V780 VanDerWaalsContact O-N 3.09Å; V780-Q784 WeakPolarHBondContact O-CB 3.16Å; V780-Q784 PolarHBondContact O-N 3.23Å; V780-L840 WeakPolarHBondContact CG2-O 3.22Å
781Q90.6Very high87.4Confident54 Ų5430.5 Ų30.525%0.25216%0.159SC..Hα-helixtrans-63.8-43174.3-167.2-171.240.900112.5P734 S777 V778 A779 Q784 Q785P734-Q781 PolarHBondContact O-NE2 3.1Å; S777-Q781 WeakPolarHBondContact O-CB 3.22Å; S777-Q781 PolarHBondContact O-N 3.12Å; V778-Q781 WeakPolarHBondContact O-CB 3.42Å; V778-Q781 PolarHBondContact O-N 3.33Å; A779-Q781 VanDerWaalsContact C-N 3.26Å; A779-Q781 PolarHBondContact O-N 3.05Å; Q781-Q784 PolarHBondContact O-N 3.18Å; Q781-Q785 WeakPolarHBondContact O-CB 3.37Å; Q781-Q785 PolarHBondContact O-N 2.96Å
782K90.4Very high87.1Confident2 Ų230.7 Ų30.71%0.00916%0.161CC..Hα-helixtrans-69.5-38.5178-70.8-74.6-179.8174.20112.2S736 L738 V778 A779 Q785 L786 T792 D793S736-K782 WeakPolarHBondContact O-CE 3.21Å; S736-K782 PolarHBondContact O-NZ 3.16Å; L738-K782 WeakPolarHBondContact O-CE 3.28Å; L738-K782 PolarHBondContact O-NZ 3.12Å; L738-K782 VanDerWaalsContact O-NZ 3.15Å; V778-K782 HydrophobicContact CG1-CG 4.33Å; V778-K782 WeakPolarHBondContact O-CG 3.45Å; V778-K782 PolarHBondContact O-N 3.43Å; A779-K782 PolarHBondContact O-N 3.19Å; A779-K782 VanDerWaalsContact O-N 3.16Å; K782-Q785 WeakPolarHBondContact O-CB 3.42Å; K782-Q785 PolarHBondContact O-N 2.82Å; K782-L786 PolarHBondContact O-N 2.86Å; K782-T792 WeakPolarHBondContact O-CG2 3.23Å; K782-D793 PolarHBondContact NZ-O 3.33Å
783I90.6Very high86.8Confident0 Ų032.2 Ų32.20%017%0.168CC..Hα-helixtrans-66.3-43.6174.2-61.3158.6000110.1A779 Q785 L786 E787 L807 M810 R847 I848A779-I783 WeakPolarHBondContact O-CD1 3.2Å; A779-I783 VanDerWaalsContact O-CG1 3.23Å; A779-I783 WeakPolarHBondContact O-CG1 3.42Å; A779-I783 PolarHBondContact O-N 3.47Å; I783-Q785 VanDerWaalsContact C-N 3.3Å; I783-Q785 PolarHBondContact O-N 3.18Å; I783-L786 WeakPolarHBondContact O-CB 3.37Å; I783-L786 PolarHBondContact O-N 3.46Å; I783-E787 PolarHBondContact O-N 2.98Å; I783-L807 HydrophobicContact CG1-CD2 4.22Å; I783-L807 HydrophobicContact CG2-CD2 4.45Å; I783-M810 HydrophobicContact CD1-SD 4.09Å; I783-M810 HydrophobicContact CG1-SD 4.21Å; I783-R847 HydrophobicContact CG2-CB 3.56Å; I783-I848 HydrophobicContact CD1-CD1 3.87Å; I783-I848 HydrophobicContact CD1-CG1 3.82Å; I783-I848 HydrophobicContact CG1-CG1 4.25Å; I783-I848 HydrophobicContact CG2-CG1 3.82Å
784Q89.2Confident86.5Confident54 Ų5430 Ų3025%0.25217%0.17SC..Hα-helixtrans-60.1-39.9172.6-175.470.573.700111.8V780 Q781 L786 E787 D788V780-Q784 WeakPolarHBondContact O-CB 3.16Å; V780-Q784 PolarHBondContact O-N 3.23Å; Q781-Q784 PolarHBondContact O-N 3.18Å; Q784-L786 VanDerWaalsContact C-N 3.29Å; Q784-L786 PolarHBondContact O-N 3.38Å; Q784-E787 PolarHBondContact NE2-OE2 3.48Å; Q784-E787 WeakPolarHBondContact O-CB 3.33Å; Q784-E787 PolarHBondContact O-N 3.44Å; Q784-D788 PolarHBondContact NE2-OD1 2.93Å; Q784-D788 WeakPolarHBondContact O-CB 3.29Å; Q784-D788 VanDerWaalsContact O-CG 3.31Å; Q784-D788 PolarHBondContact O-N 2.85Å
785Q87.1Confident86Confident16 Ų1629.3 Ų29.38%0.07517%0.17CC..Hα-helixtrans-61.2-40.7176.7-175.7-174.5-400111.8R735 Q781 K782 I783 D788 T789 D793R735-Q785 VanDerWaalsContact NH1-NE2 3.2Å; Q781-Q785 WeakPolarHBondContact O-CB 3.37Å; Q781-Q785 PolarHBondContact O-N 2.96Å; K782-Q785 WeakPolarHBondContact O-CB 3.42Å; K782-Q785 PolarHBondContact O-N 2.82Å; I783-Q785 VanDerWaalsContact C-N 3.3Å; I783-Q785 PolarHBondContact O-N 3.18Å; Q785-D788 PolarHBondContact O-N 3.09Å; Q785-T789 PolarHBondContact O-N 2.89Å; Q785-T789 PolarHBondContact O-OG1 3.21Å; Q785-D793 PolarHBondContact NE2-OD1 3.24Å; Q785-D793 PolarHBondContact NE2-OD2 2.86Å
786L86.4Confident85.4Confident11 Ų1129.9 Ų29.96%0.05817%0.173CC..Hα-helixtrans-66.5-40.4176.7-176.161.1000112.1M740 K782 I783 Q784 G790 T792 T803 L807 T851 R855M740-L786 HydrophobicContact CE-CD2 4.39Å; K782-L786 PolarHBondContact O-N 2.86Å; I783-L786 WeakPolarHBondContact O-CB 3.37Å; I783-L786 PolarHBondContact O-N 3.46Å; Q784-L786 VanDerWaalsContact C-N 3.29Å; Q784-L786 PolarHBondContact O-N 3.38Å; L786-G790 VanDerWaalsContact O-CA 3.26Å; L786-G790 WeakPolarHBondContact O-CA 3.5Å; L786-G790 PolarHBondContact O-N 3.46Å; L786-T792 HydrophobicContact CB-CG2 3.81Å; L786-T792 HydrophobicContact CD1-CG2 4.37Å; L786-T803 HydrophobicContact CD1-CG2 3.66Å; L786-T803 HydrophobicContact CD2-CG2 3.36Å; L786-T803 HydrophobicContact CG-CG2 4.13Å; L786-L807 HydrophobicContact CD2-CD1 3.71Å; L786-L807 HydrophobicContact CD2-CD2 3.94Å; L786-L807 HydrophobicContact CD2-CG 4.04Å; L786-T851 HydrophobicContact CD2-CG2 4.13Å; L786-T851 HydrophobicContact CG-CG2 4.05Å; L786-R855 PolarHBondContact O-NE 3.48Å
787E83.1Confident84.6Confident36 Ų3629.9 Ų29.917%0.16817%0.173CC..Hα-helixtrans-58.2-55.9171.8-168.7179.6-163.400110.1I783 Q784 T789 T850 R855I783-E787 PolarHBondContact O-N 2.98Å; Q784-E787 PolarHBondContact NE2-OE2 3.48Å; Q784-E787 WeakPolarHBondContact O-CB 3.33Å; Q784-E787 PolarHBondContact O-N 3.44Å; E787-T789 PolarHBondContact O-N 2.9Å; E787-T850 VanDerWaalsContact OE1-CG2 3.3Å; E787-T850 WeakPolarHBondContact OE1-CG2 3.29Å; E787-R855 PolarHBondContact O-NE 3.22Å; E787-R855 PolarHBondContact O-NH2 2.91Å
788D80.6Confident83.8Confident85 Ų8531.1 Ų31.146%0.45517%0.173SC..Hα-helixtrans-63.5-39.1-175.9-75.612000114.1Q784 Q785Q784-D788 PolarHBondContact NE2-OD1 2.93Å; Q784-D788 WeakPolarHBondContact O-CB 3.29Å; Q784-D788 VanDerWaalsContact O-CG 3.31Å; Q784-D788 PolarHBondContact O-N 2.85Å; Q785-D788 PolarHBondContact O-N 3.09Å
789T78.2Confident83Confident60 Ų6033.6 Ų33.637%0.36818%0.184SC..Hα-helixtrans-127.8-3.7-166.465.90000115.7Q785 E787 H791Q785-T789 PolarHBondContact O-N 2.89Å; Q785-T789 PolarHBondContact O-OG1 3.21Å; E787-T789 PolarHBondContact O-N 2.9Å; T789-H791 PolarHBondContact O-N 3.17Å; T789-H791 VanDerWaalsContact O-N 3.17Å; T789-H791 PolarHBondContact O-ND1 3.08Å; T789-H791 PolarHBondContact OG1-O 3.08Å; T789-H791 VanDerWaalsContact OG1-O 3.05Å
790G75.4Confident82.1Confident21 Ų2137.4 Ų37.422%0.21621%0.21CC..SBendtrans72.1-0.8179.700000115.5L786 R855L786-G790 VanDerWaalsContact O-CA 3.26Å; L786-G790 WeakPolarHBondContact O-CA 3.5Å; L786-G790 PolarHBondContact O-N 3.46Å; G790-R855 VanDerWaalsContact CA-CZ 3.47Å
791H80.6Confident81.4Confident92 Ų9241.2 Ų41.243%0.42623%0.23SC..SBendtrans-143.7162.9-179.9-47.987.8000109.2T789 G797T789-H791 PolarHBondContact O-N 3.17Å; T789-H791 VanDerWaalsContact O-N 3.17Å; T789-H791 PolarHBondContact O-ND1 3.08Å; T789-H791 PolarHBondContact OG1-O 3.08Å; T789-H791 VanDerWaalsContact OG1-O 3.05Å; H791-G797 WeakPolarHBondContact CA-O 3.05Å
792T84.9Confident81.1Confident8 Ų842.4 Ų42.45%0.04923%0.232CC..  trans-121153.1173.853.60000112.2M740 K782 L786 G797M740-T792 HydrophobicContact SD-CG2 3.77Å; K782-T792 WeakPolarHBondContact O-CG2 3.23Å; L786-T792 HydrophobicContact CB-CG2 3.81Å; L786-T792 HydrophobicContact CD1-CG2 4.37Å; T792-G797 PolarHBondContact N-O 2.99Å; T792-G797 WeakPolarHBondContact O-CA 3.46Å; T792-G797 WeakPolarHBondContact OG1-CA 3.33Å
793D81.2Confident80.8Confident43 Ų4342.7 Ų42.723%0.2323%0.234CC..SBendtrans-73.9136.2176.4-61.1-18.5000110R735 K782 Q785R735-D793 WeakPolarHBondContact CD-OD2 3.43Å; R735-D793 IonicContact CZ-OD2 3.53Å; R735-D793 IonicContact NE-OD2 2.81Å; R735-D793 IonicContact NH1-OD1 3.36Å; R735-D793 PolarHBondContact NH1-OD1 3.45Å; R735-D793 VanDerWaalsContact NH1-OD1 3.12Å; R735-D793 IonicContact NH1-OD2 2.59Å; R735-D793 PolarHBondContact NH1-OD2 2.81Å; K782-D793 PolarHBondContact NZ-O 3.33Å; Q785-D793 PolarHBondContact NE2-OD1 3.24Å; Q785-D793 PolarHBondContact NE2-OD2 2.86Å
794G82Confident80.6Confident32 Ų3243.4 Ų43.433%0.3324%0.237SC..SBendtrans108.6-178.8-179.600000114.4G797G794-G797 PolarHBondContact O-N 2.86Å
795P79.3Confident80.5Confident21 Ų2147.4 Ų47.414%0.13625%0.25CS..THydrogen-bonded Turntrans-61.1146.5-17826.4-36.3000112.3Y539 G797Y539-P795 HydrophobicContact CD1-CB 3.49Å; Y539-P795 VanDerWaalsContact CD1-CB 3.49Å; Y539-P795 HydrophobicContact CE1-CB 3.23Å; Y539-P795 HydrophobicContact CE1-CG 4.37Å; Y539-P795 HydrophobicContact CG-CB 4.4Å; P795-G797 PolarHBondContact O-N 3.15Å
796D77.8Confident80.6Confident14 Ų1448.3 Ų48.38%0.07525%0.254CS..THydrogen-bonded Turntrans61.1-5.1-177.4-71.5-47000116.6R543 Q798 H799 R802 F806R543-D796 IonicContact CZ-OD1 3.9Å; R543-D796 IonicContact CZ-OD2 2.96Å; R543-D796 IonicContact NH1-OD1 3.59Å; R543-D796 PolarHBondContact NH1-OD1 3.46Å; R543-D796 IonicContact NH1-OD2 3.89Å; R543-D796 PolarHBondContact NH1-OD2 2.91Å; R543-D796 IonicContact NH2-OD1 3.92Å; R543-D796 IonicContact NH2-OD2 3.7Å; R543-D796 PolarHBondContact NH2-OD2 3.42Å; D796-Q798 PolarHBondContact O-N 2.97Å; D796-Q798 VanDerWaalsContact O-N 3.13Å; D796-H799 WeakPolarHBondContact O-CB 3.46Å; D796-H799 PolarHBondContact O-N 3.44Å; D796-H799 IonicContact OD1-CD2 3.2Å; D796-H799 PolarHBondContact OD1-CD2 3.42Å; D796-R802 HydrophobicContact CB-CB 4.31Å; D796-R802 WeakPolarHBondContact OD1-CD 3.48Å; D796-R802 IonicContact OD1-CZ 2.83Å; D796-R802 IonicContact OD1-NE 3.39Å; D796-R802 PolarHBondContact OD1-NE 3.35Å; D796-R802 IonicContact OD1-NH1 2.96Å; D796-R802 PolarHBondContact OD1-NH1 2.56Å; D796-R802 IonicContact OD2-CZ 3.93Å; D796-R802 IonicContact OD2-NH1 2.85Å; D796-R802 PolarHBondContact OD2-NH1 2.74Å; D796-F806 HydrophobicContact CB-CE2 4.21Å
797G73.3Confident80.7Confident1 Ų148.1 Ų48.11%0.0125%0.253CS..THydrogen-bonded Turntrans-67.6-11.1-178.100000116.1H791 T792 G794 P795H791-G797 WeakPolarHBondContact CA-O 3.05Å; T792-G797 PolarHBondContact N-O 2.99Å; T792-G797 WeakPolarHBondContact O-CA 3.46Å; T792-G797 WeakPolarHBondContact OG1-CA 3.33Å; G794-G797 PolarHBondContact O-N 2.86Å; P795-G797 PolarHBondContact O-N 3.15Å
798Q73Confident81Confident86 Ų8647 Ų4740%0.40225%0.248SC..THydrogen-bonded Turntrans-93.4-3.5168.7-65.1-168.523.900114.1D796D796-Q798 PolarHBondContact O-N 2.97Å; D796-Q798 VanDerWaalsContact O-N 3.13Å
799H74.6Confident81.3Confident57 Ų5746.4 Ų46.426%0.26425%0.246SC..  trans-99.9103.6-177.2-75.2-45.1000111D796 D801 R802 T803D796-H799 WeakPolarHBondContact O-CB 3.46Å; D796-H799 PolarHBondContact O-N 3.44Å; D796-H799 IonicContact OD1-CD2 3.2Å; D796-H799 PolarHBondContact OD1-CD2 3.42Å; H799-D801 VanDerWaalsContact C-N 3.33Å; H799-D801 PolarHBondContact O-N 3.05Å; H799-R802 HydrophobicContact CB-CB 4.06Å; H799-R802 HydrophobicContact CB-CG 4.14Å; H799-R802 PolarHBondContact O-N 3.37Å; H799-R802 VanDerWaalsContact O-N 3.11Å; H799-T803 WeakPolarHBondContact O-CB 3.43Å; H799-T803 PolarHBondContact O-N 3.21Å; H799-T803 PolarHBondContact O-OG1 3.49Å
800S74.1Confident81.9Confident81 Ų8143.7 Ų43.757%0.56623%0.229SC*.Hα-helixtrans-49.2-46.8-178.349.70000113.8R802 F804S800-R802 VanDerWaalsContact C-N 3.35Å; S800-R802 PolarHBondContact O-N 3.07Å; S800-F804 VanDerWaalsContact O-CB 3.25Å; S800-F804 WeakPolarHBondContact O-CB 3.42Å; S800-F804 PolarHBondContact O-N 3.21Å
801D78.2Confident82.6Confident91 Ų9142.7 Ų42.749%0.48722%0.218SC..Hα-helixtrans-76.4-20.4-175.6-54.4-44.3000114H799 R805 K859H799-D801 VanDerWaalsContact C-N 3.33Å; H799-D801 PolarHBondContact O-N 3.05Å; D801-R805 WeakPolarHBondContact O-CG 3.36Å; D801-R805 PolarHBondContact O-N 3.46Å; D801-R805 PolarHBondContact O-NE 2.91Å; D801-R805 VanDerWaalsContact O-NE 3.11Å; D801-K859 IonicContact OD1-NZ 3.61Å; D801-K859 PolarHBondContact OD1-NZ 2.67Å
802R82.4Confident83Confident80 Ų8038.5 Ų38.530%0.30220%0.2SC..Hα-helixtrans-84.8-45.5174.2-69.1178.5176.2-128.61.7110.4D796 H799 S800 F804 R805 F806D796-R802 HydrophobicContact CB-CB 4.31Å; D796-R802 WeakPolarHBondContact OD1-CD 3.48Å; D796-R802 IonicContact OD1-CZ 2.83Å; D796-R802 IonicContact OD1-NE 3.39Å; D796-R802 PolarHBondContact OD1-NE 3.35Å; D796-R802 IonicContact OD1-NH1 2.96Å; D796-R802 PolarHBondContact OD1-NH1 2.56Å; D796-R802 IonicContact OD2-CZ 3.93Å; D796-R802 IonicContact OD2-NH1 2.85Å; D796-R802 PolarHBondContact OD2-NH1 2.74Å; H799-R802 HydrophobicContact CB-CB 4.06Å; H799-R802 HydrophobicContact CB-CG 4.14Å; H799-R802 PolarHBondContact O-N 3.37Å; H799-R802 VanDerWaalsContact O-N 3.11Å; S800-R802 VanDerWaalsContact C-N 3.35Å; S800-R802 PolarHBondContact O-N 3.07Å; R802-F804 VanDerWaalsContact C-N 3.27Å; R802-F804 PolarHBondContact O-N 3.04Å; R802-R805 WeakPolarHBondContact O-CB 3.47Å; R802-R805 PolarHBondContact O-N 3.46Å; R802-R805 VanDerWaalsContact O-N 3.09Å; R802-F806 HydrophobicContact CB-CE2 4.39Å; R802-F806 WeakPolarHBondContact O-CD2 3.37Å; R802-F806 WeakPolarHBondContact O-CG 3.28Å; R802-F806 PolarHBondContact O-N 3.04Å
803T85.1Confident83.2Confident7 Ų738.3 Ų38.34%0.04320%0.198CC..Hα-helixtrans-56.4-43.9172.8-51.70000110.8M740 L786 H799 R805 F806 L807M740-T803 HydrophobicContact CE-CG2 4.21Å; M740-T803 HydrophobicContact SD-CG2 3.82Å; L786-T803 HydrophobicContact CD1-CG2 3.66Å; L786-T803 HydrophobicContact CD2-CG2 3.36Å; L786-T803 HydrophobicContact CG-CG2 4.13Å; H799-T803 WeakPolarHBondContact O-CB 3.43Å; H799-T803 PolarHBondContact O-N 3.21Å; H799-T803 PolarHBondContact O-OG1 3.49Å; T803-R805 PolarHBondContact O-N 3.21Å; T803-F806 PolarHBondContact O-N 2.87Å; T803-L807 WeakPolarHBondContact O-CG 3.23Å; T803-L807 PolarHBondContact O-N 3.46Å
804F86.3Confident83.6Confident16 Ų1636.3 Ų36.37%0.0719%0.187CC..Hα-helixtrans-60.9-41.8174.1-179-103.3000112.9S800 R802 L807 C808 K859 Q862 L863S800-F804 VanDerWaalsContact O-CB 3.25Å; S800-F804 WeakPolarHBondContact O-CB 3.42Å; S800-F804 PolarHBondContact O-N 3.21Å; R802-F804 VanDerWaalsContact C-N 3.27Å; R802-F804 PolarHBondContact O-N 3.04Å; F804-L807 WeakPolarHBondContact O-CB 3.44Å; F804-L807 PolarHBondContact O-N 3.13Å; F804-L807 VanDerWaalsContact O-N 3.15Å; F804-C808 PolarHBondContact O-N 3.3Å; F804-C808 PolarHBondContact O-SG 2.88Å; F804-C808 VanDerWaalsContact O-SG 3.39Å; F804-K859 HydrophobicContact CD1-CD 4.02Å; F804-K859 HydrophobicContact CD2-CB 4.34Å; F804-K859 HydrophobicContact CD2-CD 4.24Å; F804-K859 HydrophobicContact CE1-CB 4.12Å; F804-K859 HydrophobicContact CE1-CD 4.12Å; F804-K859 HydrophobicContact CE2-CB 3.69Å; F804-K859 HydrophobicContact CE2-CD 4.35Å; F804-K859 HydrophobicContact CG-CD 4.09Å; F804-K859 HydrophobicContact CZ-CB 3.58Å; F804-K859 HydrophobicContact CZ-CD 4.31Å; F804-K859 VanDerWaalsContact CZ-O 3.32Å; F804-K859 WeakPolarHBondContact CZ-O 3.27Å; F804-Q862 HydrophobicContact CE1-CB 3.99Å; F804-Q862 HydrophobicContact CZ-CB 4Å; F804-L863 HydrophobicContact CE2-CB 4.27Å; F804-L863 HydrophobicContact CE2-CD1 4.36Å; F804-L863 HydrophobicContact CZ-CB 4.12Å
805R86.9Confident83.8Confident138 Ų13835.3 Ų35.352%0.52118%0.175SC..Hα-helixtrans-62.5-43.8174.1-78.9-179.6-76.1144.4-21.6112.5D801 R802 T803 L807 C808 D809D801-R805 WeakPolarHBondContact O-CG 3.36Å; D801-R805 PolarHBondContact O-N 3.46Å; D801-R805 PolarHBondContact O-NE 2.91Å; D801-R805 VanDerWaalsContact O-NE 3.11Å; R802-R805 WeakPolarHBondContact O-CB 3.47Å; R802-R805 PolarHBondContact O-N 3.46Å; R802-R805 VanDerWaalsContact O-N 3.09Å; T803-R805 PolarHBondContact O-N 3.21Å; R805-L807 PolarHBondContact O-N 3.22Å; R805-C808 WeakPolarHBondContact O-CB 3.47Å; R805-C808 PolarHBondContact O-N 3.18Å; R805-D809 VanDerWaalsContact O-CG 3.24Å; R805-D809 PolarHBondContact O-N 3.4Å
806F88.5Confident84.2Confident35 Ų3537.6 Ų37.615%0.15418%0.18CC..Hα-helixtrans-61.2-32.9173.7-57.8-39.6000112.4M740 D796 R802 T803 M810M740-F806 HydrophobicContact CB-CD2 4.31Å; M740-F806 HydrophobicContact CE-CB 4.17Å; M740-F806 HydrophobicContact CG-CB 4.24Å; M740-F806 HydrophobicContact CG-CD2 4.13Å; M740-F806 HydrophobicContact SD-CD2 4.47Å; D796-F806 HydrophobicContact CB-CE2 4.21Å; R802-F806 HydrophobicContact CB-CE2 4.39Å; R802-F806 WeakPolarHBondContact O-CD2 3.37Å; R802-F806 WeakPolarHBondContact O-CG 3.28Å; R802-F806 PolarHBondContact O-N 3.04Å; T803-F806 PolarHBondContact O-N 2.87Å; F806-M810 WeakPolarHBondContact O-CB 3.41Å; F806-M810 WeakPolarHBondContact O-CG 3.13Å; F806-M810 PolarHBondContact O-N 2.85Å
807L89.4Confident84.5Confident6 Ų637.5 Ų37.53%0.03118%0.179CC..Hα-helixtrans-66.2-41.4171.2-67.5178.4000112.2M740 I783 L786 T803 F804 R805 T811 I848 T851 L863M740-L807 HydrophobicContact CE-CD2 3.78Å; M740-L807 HydrophobicContact CE-CG 4.25Å; I783-L807 HydrophobicContact CG1-CD2 4.22Å; I783-L807 HydrophobicContact CG2-CD2 4.45Å; L786-L807 HydrophobicContact CD2-CD1 3.71Å; L786-L807 HydrophobicContact CD2-CD2 3.94Å; L786-L807 HydrophobicContact CD2-CG 4.04Å; T803-L807 WeakPolarHBondContact O-CG 3.23Å; T803-L807 PolarHBondContact O-N 3.46Å; F804-L807 WeakPolarHBondContact O-CB 3.44Å; F804-L807 PolarHBondContact O-N 3.13Å; F804-L807 VanDerWaalsContact O-N 3.15Å; R805-L807 PolarHBondContact O-N 3.22Å; L807-T811 WeakPolarHBondContact O-CB 3.35Å; L807-T811 PolarHBondContact O-N 3.32Å; L807-T811 PolarHBondContact O-OG1 3.34Å; L807-I848 HydrophobicContact CB-CG2 3.93Å; L807-I848 HydrophobicContact CD1-CG2 4.39Å; L807-I848 HydrophobicContact CD2-CG1 4.05Å; L807-I848 HydrophobicContact CD2-CG2 4.09Å; L807-I848 HydrophobicContact CG-CG2 4.37Å; L807-T851 HydrophobicContact CD1-CG2 4.5Å; L807-L863 HydrophobicContact CB-CD1 4.44Å
808C88.9Confident85.1Confident12 Ų1238.8 Ų38.88%0.08118%0.184CC..Hα-helixtrans-58.1-55.1173.6-630000110.8F804 R805 M810 T811 S812 A866F804-C808 PolarHBondContact O-N 3.3Å; F804-C808 PolarHBondContact O-SG 2.88Å; F804-C808 VanDerWaalsContact O-SG 3.39Å; R805-C808 WeakPolarHBondContact O-CB 3.47Å; R805-C808 PolarHBondContact O-N 3.18Å; C808-M810 VanDerWaalsContact C-N 3.35Å; C808-M810 PolarHBondContact O-N 2.96Å; C808-T811 WeakPolarHBondContact O-CB 3.29Å; C808-T811 PolarHBondContact O-N 3.03Å; C808-T811 VanDerWaalsContact O-N 3.08Å; C808-S812 PolarHBondContact O-N 3.36Å; C808-S812 PolarHBondContact O-OG 3.49Å; C808-S812 VanDerWaalsContact O-OG 3.12Å; C808-A866 HydrophobicContact CB-CB 3.73Å
809D87.4Confident85.5Confident74 Ų7438 Ų3840%0.39619%0.185SC..Hα-helixtrans-52.7-51.3179.2-57.3-25.7000111.4S744 R805 T811 S812 V813S744-D809 WeakPolarHBondContact OG-CB 3.29Å; S744-D809 PolarHBondContact OG-OD2 3.31Å; R805-D809 VanDerWaalsContact O-CG 3.24Å; R805-D809 PolarHBondContact O-N 3.4Å; D809-T811 PolarHBondContact O-N 3.35Å; D809-S812 PolarHBondContact O-N 3.45Å; D809-V813 WeakPolarHBondContact O-CG2 3.32Å; D809-V813 PolarHBondContact O-N 3.39Å; D809-V813 VanDerWaalsContact O-N 3.1Å
810M90.4Very high85.6Confident2 Ų239.5 Ų39.51%0.0120%0.195CC..Hα-helixtrans-62.1-41.1178.4-72.3179.3-170.800111.9M740 V743 I783 F806 C808 S812 V813 L814 I848M740-M810 HydrophobicContact CE-CE 4.24Å; M740-M810 HydrophobicContact CE-SD 4.21Å; M740-M810 HydrophobicContact CG-CE 3.87Å; M740-M810 WeakPolarHBondContact O-CE 3.38Å; V743-M810 HydrophobicContact CB-CE 4.17Å; V743-M810 HydrophobicContact CG1-CE 3.95Å; I783-M810 HydrophobicContact CD1-SD 4.09Å; I783-M810 HydrophobicContact CG1-SD 4.21Å; F806-M810 WeakPolarHBondContact O-CB 3.41Å; F806-M810 WeakPolarHBondContact O-CG 3.13Å; F806-M810 PolarHBondContact O-N 2.85Å; C808-M810 VanDerWaalsContact C-N 3.35Å; C808-M810 PolarHBondContact O-N 2.96Å; M810-S812 PolarHBondContact O-N 3.2Å; M810-V813 PolarHBondContact O-N 3.04Å; M810-L814 VanDerWaalsContact O-CB 3.31Å; M810-L814 WeakPolarHBondContact O-CB 3.43Å; M810-L814 WeakPolarHBondContact O-CG 3.46Å; M810-L814 PolarHBondContact O-N 2.91Å; M810-I848 HydrophobicContact CB-CD1 4.16Å
811T90.7Very high85.5Confident0 Ų037.9 Ų37.90%018%0.18CC..Hα-helixtrans-59.7-48.9178.7-57.50000110.6L807 C808 D809 V813 L814 M815 L845 I848 F849 M867L807-T811 WeakPolarHBondContact O-CB 3.35Å; L807-T811 PolarHBondContact O-N 3.32Å; L807-T811 PolarHBondContact O-OG1 3.34Å; C808-T811 WeakPolarHBondContact O-CB 3.29Å; C808-T811 PolarHBondContact O-N 3.03Å; C808-T811 VanDerWaalsContact O-N 3.08Å; D809-T811 PolarHBondContact O-N 3.35Å; T811-V813 VanDerWaalsContact C-N 3.33Å; T811-V813 PolarHBondContact O-N 3.4Å; T811-L814 PolarHBondContact O-N 3.32Å; T811-M815 VanDerWaalsContact O-CB 3.28Å; T811-M815 WeakPolarHBondContact O-CB 3.39Å; T811-M815 PolarHBondContact O-N 3.08Å; T811-L845 HydrophobicContact CG2-CD2 3.73Å; T811-I848 WeakPolarHBondContact OG1-CD1 3.4Å; T811-I848 WeakPolarHBondContact OG1-CG2 3.43Å; T811-F849 HydrophobicContact CG2-CE1 4.14Å; T811-F849 HydrophobicContact CG2-CZ 4.24Å; T811-M867 HydrophobicContact CG2-CE 3.88Å; T811-M867 HydrophobicContact CG2-CG 3.88Å; T811-M867 HydrophobicContact CG2-SD 3.48Å; T811-M867 WeakPolarHBondContact CG2-SD 3.38Å
812S88.4Confident84.7Confident5 Ų537.7 Ų37.74%0.03518%0.183CC..Hα-helixtrans-64.2-37.6-178.1-530000111.7R752 C808 D809 M810 W816 A866 M867R752-S812 PolarHBondContact NE-O 3.27Å; R752-S812 VanDerWaalsContact NH2-C 3.28Å; R752-S812 PolarHBondContact NH2-O 3.15Å; C808-S812 PolarHBondContact O-N 3.36Å; C808-S812 PolarHBondContact O-OG 3.49Å; C808-S812 VanDerWaalsContact O-OG 3.12Å; D809-S812 PolarHBondContact O-N 3.45Å; M810-S812 PolarHBondContact O-N 3.2Å; S812-W816 WeakPolarHBondContact O-CB 3.27Å; S812-W816 PolarHBondContact O-N 2.95Å; S812-W816 VanDerWaalsContact O-N 3.15Å; S812-A866 PolarHBondContact OG-O 3.37Å; S812-M867 WeakPolarHBondContact OG-CA 3.49Å
813V88.5Confident83.5Confident3 Ų336.2 Ų36.22%0.01818%0.178CC..Hα-helixtrans-72.4-46.3175.3-178.10000112.6I747 T748 F751 R752 D809 M810 T811 M815 W816 R817I747-V813 HydrophobicContact CG2-CB 4.18Å; I747-V813 HydrophobicContact CG2-CG1 3.61Å; T748-V813 HydrophobicContact CG2-CG2 4.18Å; T748-V813 WeakPolarHBondContact OG1-CG2 3.38Å; F751-V813 HydrophobicContact CB-CG1 3.92Å; F751-V813 HydrophobicContact CD2-CG1 4Å; F751-V813 HydrophobicContact CG-CG1 4.47Å; R752-V813 HydrophobicContact CG-CG1 4.33Å; R752-V813 HydrophobicContact CG-CG2 4.18Å; D809-V813 WeakPolarHBondContact O-CG2 3.32Å; D809-V813 PolarHBondContact O-N 3.39Å; D809-V813 VanDerWaalsContact O-N 3.1Å; M810-V813 PolarHBondContact O-N 3.04Å; T811-V813 VanDerWaalsContact C-N 3.33Å; T811-V813 PolarHBondContact O-N 3.4Å; V813-M815 VanDerWaalsContact C-N 3.3Å; V813-M815 PolarHBondContact O-N 3.48Å; V813-W816 PolarHBondContact O-N 3.37Å; V813-R817 WeakPolarHBondContact O-CB 3.47Å; V813-R817 PolarHBondContact O-N 2.89Å
814L89.9Confident82Confident1 Ų139.7 Ų39.71%0.00521%0.207CC..Hα-helixtrans-63.3-38.2-179.8-68.5177.9000111.4L776 M810 T811 R817 Y818 C841 L845 I848L776-L814 HydrophobicContact CD1-CD2 3.39Å; M810-L814 VanDerWaalsContact O-CB 3.31Å; M810-L814 WeakPolarHBondContact O-CB 3.43Å; M810-L814 WeakPolarHBondContact O-CG 3.46Å; M810-L814 PolarHBondContact O-N 2.91Å; T811-L814 PolarHBondContact O-N 3.32Å; L814-R817 PolarHBondContact O-N 2.64Å; L814-Y818 WeakPolarHBondContact O-CB 3.11Å; L814-Y818 PolarHBondContact O-N 3.42Å; L814-C841 HydrophobicContact CD2-CB 4.33Å; L814-L845 HydrophobicContact CB-CD1 4.31Å; L814-L845 HydrophobicContact CB-CD2 3.93Å; L814-L845 HydrophobicContact CB-CG 3.88Å; L814-L845 HydrophobicContact CD1-CG 4.49Å; L814-I848 HydrophobicContact CD1-CD1 4.15Å
815M87.3Confident80.5Confident12 Ų1243.8 Ų43.86%0.05923%0.233CC..Hα-helixtrans-64.7-49.5174.5-168.965.8179.800111.3T811 V813 R817 Y818 T819 L845 M867 Y885 Q888 F889T811-M815 VanDerWaalsContact O-CB 3.28Å; T811-M815 WeakPolarHBondContact O-CB 3.39Å; T811-M815 PolarHBondContact O-N 3.08Å; V813-M815 VanDerWaalsContact C-N 3.3Å; V813-M815 PolarHBondContact O-N 3.48Å; M815-R817 VanDerWaalsContact C-N 3.29Å; M815-R817 PolarHBondContact O-N 2.87Å; M815-Y818 WeakPolarHBondContact O-CB 3.36Å; M815-Y818 PolarHBondContact O-N 3.41Å; M815-T819 HydrophobicContact CE-CG2 3.98Å; M815-T819 PolarHBondContact O-N 3.31Å; M815-T819 PolarHBondContact O-OG1 2.88Å; M815-L845 HydrophobicContact SD-CD1 4.16Å; M815-M867 HydrophobicContact CB-CE 3.73Å; M815-M867 HydrophobicContact CG-CE 3.57Å; M815-M867 HydrophobicContact SD-CE 4.17Å; M815-Y885 HydrophobicContact CE-CD1 4.32Å; M815-Q888 HydrophobicContact CE-CB 4.08Å; M815-F889 HydrophobicContact CE-CE1 3.97Å; M815-F889 HydrophobicContact CE-CE2 4.14Å; M815-F889 HydrophobicContact CE-CZ 3.72Å; M815-F889 HydrophobicContact SD-CE1 3.81Å; M815-F889 HydrophobicContact SD-CE2 4.33Å; M815-F889 HydrophobicContact SD-CZ 3.46Å; M815-F889 WeakPolarHBondContact SD-CZ 3.47Å
816W86.1Confident79.1Confident68 Ų6839.1 Ų39.126%0.25822%0.217SC..Hα-helixtrans-56.9-42176.7-178.7100.5000112F751 R752 S812 V813 Y818 T819 N820 I821F751-W816 HydrophobicContact CB-CE3 4.28Å; F751-W816 HydrophobicContact CB-CZ3 4.16Å; F751-W816 WeakPolarHBondContact O-CH2 3.17Å; F751-W816 WeakPolarHBondContact O-CZ3 3.3Å; R752-W816 HydrophobicContact CG-CB 4.44Å; R752-W816 HydrophobicContact CG-CD2 4.08Å; R752-W816 HydrophobicContact CG-CE3 4.33Å; R752-W816 HydrophobicContact CG-CG 4.1Å; S812-W816 WeakPolarHBondContact O-CB 3.27Å; S812-W816 PolarHBondContact O-N 2.95Å; S812-W816 VanDerWaalsContact O-N 3.15Å; V813-W816 PolarHBondContact O-N 3.37Å; W816-Y818 VanDerWaalsContact C-N 3.3Å; W816-Y818 PolarHBondContact O-N 3.38Å; W816-T819 PolarHBondContact O-N 2.75Å; W816-T819 PolarHBondContact O-OG1 3.32Å; W816-N820 HydrophobicContact CD2-CB 4.47Å; W816-N820 HydrophobicContact CZ2-CB 4.35Å; W816-N820 PolarHBondContact NE1-ND2 2.74Å; W816-N820 VanDerWaalsContact NE1-ND2 3.1Å; W816-N820 WeakPolarHBondContact O-CB 3.47Å; W816-N820 PolarHBondContact O-N 2.92Å; W816-I821 HydrophobicContact CH2-CD1 4.26Å; W816-I821 HydrophobicContact CZ3-CD1 3.88Å
817R85.8Confident77.2Confident12 Ų1244.6 Ų44.65%0.04524%0.243CC..Hα-helixtrans-68-30.2178.2176.953.1-176.577.40.2112.5F751 V813 L814 M815 I821 E826F751-R817 HydrophobicContact CB-CB 4.39Å; F751-R817 HydrophobicContact CD1-CB 4.49Å; F751-R817 HydrophobicContact CD1-CG 3.9Å; F751-R817 HydrophobicContact CD2-CB 4.41Å; F751-R817 HydrophobicContact CD2-CG 4.32Å; F751-R817 HydrophobicContact CE1-CG 4.02Å; F751-R817 HydrophobicContact CE2-CG 4.43Å; F751-R817 HydrophobicContact CG-CB 4.19Å; F751-R817 HydrophobicContact CG-CG 4.05Å; F751-R817 HydrophobicContact CZ-CG 4.28Å; V813-R817 WeakPolarHBondContact O-CB 3.47Å; V813-R817 PolarHBondContact O-N 2.89Å; L814-R817 PolarHBondContact O-N 2.64Å; M815-R817 VanDerWaalsContact C-N 3.29Å; M815-R817 PolarHBondContact O-N 2.87Å; R817-I821 VanDerWaalsContact CD-CD1 3.45Å; R817-E826 IonicContact CZ-OE1 3.37Å; R817-E826 VanDerWaalsContact CZ-OE1 3.31Å; R817-E826 IonicContact NH1-OE1 3.39Å; R817-E826 PolarHBondContact NH1-OE1 3.13Å; R817-E826 IonicContact NH2-OE1 3.82Å; R817-E826 PolarHBondContact NH2-OE1 3.24Å
818Y85.2Confident75.2Confident28 Ų2848.8 Ų48.811%0.1128%0.279CS..Hα-helixtrans-76.4-39.5177.6-176.6-105.3000112.5L814 M815 W816 L842 A892 E908 L912L814-Y818 WeakPolarHBondContact O-CB 3.11Å; L814-Y818 PolarHBondContact O-N 3.42Å; M815-Y818 WeakPolarHBondContact O-CB 3.36Å; M815-Y818 PolarHBondContact O-N 3.41Å; W816-Y818 VanDerWaalsContact C-N 3.3Å; W816-Y818 PolarHBondContact O-N 3.38Å; Y818-L842 HydrophobicContact CD1-CD2 3.97Å; Y818-L842 HydrophobicContact CD2-CD1 4.45Å; Y818-L842 HydrophobicContact CD2-CD2 3.75Å; Y818-L842 HydrophobicContact CD2-CG 3.85Å; Y818-L842 HydrophobicContact CE1-CD2 3.92Å; Y818-L842 HydrophobicContact CE2-CD1 3.72Å; Y818-L842 HydrophobicContact CE2-CD2 3.71Å; Y818-L842 HydrophobicContact CE2-CG 3.61Å; Y818-L842 HydrophobicContact CG-CD2 3.9Å; Y818-L842 HydrophobicContact CG-CG 4.49Å; Y818-A892 HydrophobicContact CE1-CB 3.88Å; Y818-E908 VanDerWaalsContact CE2-OE1 3.31Å; Y818-E908 WeakPolarHBondContact CE2-OE1 3.42Å; Y818-E908 PolarHBondContact OH-OE1 3.18Å; Y818-L912 HydrophobicContact CE1-CD2 4.29Å
819T82.1Confident73.4Confident69 Ų6950.9 Ų50.942%0.42330%0.302SS..Hα-helixtrans-82.2-39.4-176.853.90000113.7M815 W816M815-T819 HydrophobicContact CE-CG2 3.98Å; M815-T819 PolarHBondContact O-N 3.31Å; M815-T819 PolarHBondContact O-OG1 2.88Å; W816-T819 PolarHBondContact O-N 2.75Å; W816-T819 PolarHBondContact O-OG1 3.32Å
820N77.1Confident71.3Confident89 Ų8956 Ų5648%0.47632%0.32SS..Hα-helixtrans-96.6-12.6-166.6-67.8-38.9000115.6W816W816-N820 HydrophobicContact CD2-CB 4.47Å; W816-N820 HydrophobicContact CZ2-CB 4.35Å; W816-N820 PolarHBondContact NE1-ND2 2.74Å; W816-N820 VanDerWaalsContact NE1-ND2 3.1Å; W816-N820 WeakPolarHBondContact O-CB 3.47Å; W816-N820 PolarHBondContact O-N 2.92Å
821I70.5Confident68.9Low48 Ų4866.2 Ų66.225%0.24637%0.365CS..SBendtrans-115.5105-179.4-70.2167.7000109.7W816 R817W816-I821 HydrophobicContact CH2-CD1 4.26Å; W816-I821 HydrophobicContact CZ3-CD1 3.88Å; R817-I821 VanDerWaalsContact CD-CD1 3.45Å
822P61.3Low66.5Low86 Ų8671.6 Ų71.656%0.55839%0.39SS*.  trans-64.9142.2-177.6-22.833.9000113.3A824 V825P822-A824 PolarHBondContact O-N 3.27Å; P822-A824 VanDerWaalsContact O-N 3.13Å; P822-V825 WeakPolarHBondContact O-CB 3.41Å; P822-V825 PolarHBondContact O-N 3.16Å
823R58.3Low64.6Low50 Ų5082 Ų8219%0.18943%0.434CS..THydrogen-bonded Turntrans-58.6-27.7-179.4-60-159.9-156.6141.72.7115V825 E826 E827 Q896 E908R823-V825 PolarHBondContact O-N 2.97Å; R823-V825 VanDerWaalsContact O-N 3.09Å; R823-E826 WeakPolarHBondContact O-CA 3.32Å; R823-E826 WeakPolarHBondContact O-CB 3.34Å; R823-E826 PolarHBondContact O-N 3.25Å; R823-E827 PolarHBondContact O-N 2.95Å; R823-Q896 VanDerWaalsContact CZ-OE1 3.24Å; R823-Q896 VanDerWaalsContact NH1-NE2 3.1Å; R823-Q896 VanDerWaalsContact NH2-CG 3.34Å; R823-E908 IonicContact CZ-OE1 3.43Å; R823-E908 IonicContact CZ-OE2 2.95Å; R823-E908 IonicContact NE-OE1 2.78Å; R823-E908 PolarHBondContact NE-OE1 3.09Å; R823-E908 IonicContact NE-OE2 3.85Å; R823-E908 PolarHBondContact NE-OE2 2.97Å; R823-E908 VanDerWaalsContact NE-OE2 3.13Å; R823-E908 IonicContact NH1-OE2 2.65Å; R823-E908 IonicContact NH2-OE1 3Å; R823-E908 PolarHBondContact NH2-OE1 3.43Å; R823-E908 IonicContact NH2-OE2 2.96Å; R823-E908 PolarHBondContact NH2-OE2 3.43Å
824A52Low63.1Low79 Ų7986.6 Ų86.665%0.65345%0.452SS*.Hα-helixtrans-56.6-25.1175.300000113P822P822-A824 PolarHBondContact O-N 3.27Å; P822-A824 VanDerWaalsContact O-N 3.13Å
825V56.1Low61.8Low103 Ų10389.5 Ų89.562%0.62447%0.471SS*.Hα-helixtrans-77.7-25.6174.5-172.20000112P822 R823P822-V825 WeakPolarHBondContact O-CB 3.41Å; P822-V825 PolarHBondContact O-N 3.16Å; R823-V825 PolarHBondContact O-N 2.97Å; R823-V825 VanDerWaalsContact O-N 3.09Å
826E56.8Low61.3Low39 Ų3990.2 Ų90.218%0.18248%0.477CS..Hα-helixtrans-79.3-39.1176-64.4-175.6-159.800112.3R817 R823 G829 L837 S838R817-E826 IonicContact CZ-OE1 3.37Å; R817-E826 VanDerWaalsContact CZ-OE1 3.31Å; R817-E826 IonicContact NH1-OE1 3.39Å; R817-E826 PolarHBondContact NH1-OE1 3.13Å; R817-E826 IonicContact NH2-OE1 3.82Å; R817-E826 PolarHBondContact NH2-OE1 3.24Å; R823-E826 WeakPolarHBondContact O-CA 3.32Å; R823-E826 WeakPolarHBondContact O-CB 3.34Å; R823-E826 PolarHBondContact O-N 3.25Å; E826-G829 PolarHBondContact O-N 3.49Å; E826-L837 PolarHBondContact OE2-N 3.32Å; E826-S838 PolarHBondContact OE1-N 3.43Å; E826-S838 PolarHBondContact OE1-OG 3.19Å; E826-S838 PolarHBondContact OE2-N 3.5Å
827E49.8Very low61.1Low151 Ų15187.9 Ų87.971%0.70647%0.47SS*.Hα-helixtrans-79.6-18.5-172.2-65.4-163.4157.300114.8R823 G829R823-E827 PolarHBondContact O-N 2.95Å; E827-G829 PolarHBondContact O-N 3.05Å
828A47.5Very low61Low94 Ų9487.4 Ų87.478%0.77747%0.469SS*.THydrogen-bonded Turntrans-60.2-10.1169.500000113.5
829G50.7Low61.1Low55 Ų5587.2 Ų87.257%0.56747%0.469SS*.SBendtrans-86.9-45.6-167.900000118.4E826 E827E826-G829 PolarHBondContact O-N 3.49Å; E827-G829 PolarHBondContact O-N 3.05Å
830K43.6Very low61.3Low181 Ų18184.8 Ų84.879%0.78745%0.453SS*.  trans-177.6155.4-180-110155.6-169.6-179.60116.3E832K830-E832 VanDerWaalsContact C-N 3.33Å; K830-E832 PolarHBondContact O-N 3.48Å
831K38.5Very low61.9Low218 Ų21880.6 Ų80.695%0.94843%0.431SS*.  trans-78.126-179.1-65.1178.9171.5176.90116.5
832E41.7Very low62.8Low112 Ų11278.3 Ų78.352%0.52342%0.419SS..  trans-94.2137.1-177.1-74-163.7148.800113.6K830 R834K830-E832 VanDerWaalsContact C-N 3.33Å; K830-E832 PolarHBondContact O-N 3.48Å; E832-R834 HydrophobicContact CB-CG 4.4Å; E832-R834 PolarHBondContact O-N 3.47Å; E832-R834 VanDerWaalsContact OE2-CD 3.26Å; E832-R834 WeakPolarHBondContact OE2-CD 3.18Å; E832-R834 IonicContact OE2-CZ 3.3Å; E832-R834 IonicContact OE2-NE 3.9Å; E832-R834 PolarHBondContact OE2-NE 3.11Å; E832-R834 IonicContact OE2-NH1 2.67Å; E832-R834 PolarHBondContact OE2-NH1 3.31Å
833K48.3Very low64.2Low223 Ų22375.4 Ų75.497%0.9740%0.399SS*.  trans-73.648.1172.6-64.7-177.7175.5-178.70112.9
834R56Low65.7Low100 Ų10073 Ų7338%0.37739%0.39SS..SBendtrans-101.1155.8174.5-72.8179.5170.2166.1-16.3109.8E717 E770 E832E717-R834 IonicContact OE2-NH2 2.78Å; E717-R834 PolarHBondContact OE2-NH2 2.96Å; E770-R834 IonicContact OE1-NH1 2.64Å; E832-R834 HydrophobicContact CB-CG 4.4Å; E832-R834 PolarHBondContact O-N 3.47Å; E832-R834 VanDerWaalsContact OE2-CD 3.26Å; E832-R834 WeakPolarHBondContact OE2-CD 3.18Å; E832-R834 IonicContact OE2-CZ 3.3Å; E832-R834 IonicContact OE2-NE 3.9Å; E832-R834 PolarHBondContact OE2-NE 3.11Å; E832-R834 IonicContact OE2-NH1 2.67Å; E832-R834 PolarHBondContact OE2-NH1 3.31Å
835C63.2Low67.6Low62 Ų6269.2 Ų69.242%0.41936%0.358SS..PPolyproline II helixtrans-55.5138.3176.7-129.90000111R773 Q839 L840R773-C835 PolarHBondContact NE-O 2.74Å; C835-Q839 PolarHBondContact SG-OE1 3.28Å; C835-L840 HydrophobicContact CB-CD2 4.47Å; C835-L840 HydrophobicContact CB-CG 4.31Å
836S76.7Confident69.3Low27 Ų2765.6 Ų65.619%0.18934%0.335CS..PPolyproline II helixtrans-71.7160174.571.60000111S838 Q839 L840S836-S838 VanDerWaalsContact C-N 3.32Å; S836-Q839 PolarHBondContact O-N 3.06Å; S836-Q839 WeakPolarHBondContact OG-CB 3.47Å; S836-Q839 WeakPolarHBondContact OG-CG 3.42Å; S836-Q839 PolarHBondContact OG-N 2.96Å; S836-L840 PolarHBondContact O-N 3.37Å
837L82.2Confident70.9Confident20 Ų2065.7 Ų65.711%0.10533%0.334CS..Hα-helixtrans-69-39.4176.4-64.4173000109.5V772 R773 L776 E826 Q839 L840 C841V772-L837 HydrophobicContact CG1-CD1 4.08Å; V772-L837 HydrophobicContact CG1-CD2 4.38Å; R773-L837 HydrophobicContact CB-CD2 3.84Å; R773-L837 HydrophobicContact CG-CD2 4.21Å; L776-L837 HydrophobicContact CD2-CB 4.32Å; L776-L837 HydrophobicContact CD2-CD2 4.02Å; E826-L837 PolarHBondContact OE2-N 3.32Å; L837-Q839 VanDerWaalsContact C-N 3.35Å; L837-Q839 PolarHBondContact O-N 3.27Å; L837-L840 PolarHBondContact O-N 3.41Å; L837-L840 VanDerWaalsContact O-N 3.14Å; L837-C841 PolarHBondContact O-N 3.21Å; L837-C841 PolarHBondContact O-SG 3.23Å; L837-C841 VanDerWaalsContact O-SG 3.41Å
838S83.6Confident72.9Confident2 Ų258.5 Ų58.51%0.01430%0.301CS..Hα-helixtrans-55.6-44173.1-65.90000113E826 S836 C841 L842E826-S838 PolarHBondContact OE1-N 3.43Å; E826-S838 PolarHBondContact OE1-OG 3.19Å; E826-S838 PolarHBondContact OE2-N 3.5Å; S836-S838 VanDerWaalsContact C-N 3.32Å; S838-C841 PolarHBondContact O-N 3.49Å; S838-L842 PolarHBondContact O-N 2.87Å
839Q86.1Confident74.9Confident23 Ų2354 Ų5411%0.10726%0.264CS..Hα-helixtrans-61.3-45173.9-79.5168.1-14.700112.1C835 S836 L837 C841 L842 D843 N905 E908C835-Q839 PolarHBondContact SG-OE1 3.28Å; S836-Q839 PolarHBondContact O-N 3.06Å; S836-Q839 WeakPolarHBondContact OG-CB 3.47Å; S836-Q839 WeakPolarHBondContact OG-CG 3.42Å; S836-Q839 PolarHBondContact OG-N 2.96Å; L837-Q839 VanDerWaalsContact C-N 3.35Å; L837-Q839 PolarHBondContact O-N 3.27Å; Q839-C841 VanDerWaalsContact C-N 3.35Å; Q839-C841 PolarHBondContact O-N 2.86Å; Q839-L842 PolarHBondContact O-N 3.28Å; Q839-D843 VanDerWaalsContact O-CB 3.31Å; Q839-D843 WeakPolarHBondContact O-CB 3.34Å; Q839-D843 PolarHBondContact O-N 3.26Å; Q839-N905 VanDerWaalsContact NE2-CG 3.33Å; Q839-N905 PolarHBondContact NE2-ND2 3.38Å; Q839-N905 PolarHBondContact NE2-OD1 3.48Å; Q839-E908 HydrophobicContact CG-CB 4.19Å; Q839-E908 HydrophobicContact CG-CG 4.2Å
840L86.6Confident76.7Confident19 Ų1952.4 Ų52.410%0.09924%0.242CC..Hα-helixtrans-65.4-35.7178.8-71.4170.9000112.5R773 L776 V780 C835 S836 L837 D843 G844R773-L840 HydrophobicContact CG-CD1 4.01Å; L776-L840 HydrophobicContact CD2-CB 3.54Å; L776-L840 HydrophobicContact CD2-CD1 4.24Å; L776-L840 HydrophobicContact CG-CB 3.84Å; L776-L840 HydrophobicContact CG-CD1 4.45Å; V780-L840 WeakPolarHBondContact CG2-O 3.22Å; C835-L840 HydrophobicContact CB-CD2 4.47Å; C835-L840 HydrophobicContact CB-CG 4.31Å; S836-L840 PolarHBondContact O-N 3.37Å; L837-L840 PolarHBondContact O-N 3.41Å; L837-L840 VanDerWaalsContact O-N 3.14Å; L840-D843 PolarHBondContact O-N 2.91Å; L840-G844 PolarHBondContact O-N 3.49Å
841C90.1Very high78.7Confident0 Ų044 Ų440%021%0.206CC..Hα-helixtrans-61.9-46.3173.6-69.80000111.9L814 L837 S838 Q839 G844 L845L814-C841 HydrophobicContact CD2-CB 4.33Å; L837-C841 PolarHBondContact O-N 3.21Å; L837-C841 PolarHBondContact O-SG 3.23Å; L837-C841 VanDerWaalsContact O-SG 3.41Å; S838-C841 PolarHBondContact O-N 3.49Å; Q839-C841 VanDerWaalsContact C-N 3.35Å; Q839-C841 PolarHBondContact O-N 2.86Å; C841-G844 PolarHBondContact O-N 2.83Å; C841-L845 WeakPolarHBondContact O-CG 3.26Å; C841-L845 PolarHBondContact O-N 2.94Å
842L90.3Very high80.9Confident0 Ų033.7 Ų33.70%016%0.162CC..Hα-helixtrans-67.9-36.8175.6-67.7-171.7000113.1Y818 S838 Q839 G844 L845 L846 F889 E908 L911 L912 I915Y818-L842 HydrophobicContact CD1-CD2 3.97Å; Y818-L842 HydrophobicContact CD2-CD1 4.45Å; Y818-L842 HydrophobicContact CD2-CD2 3.75Å; Y818-L842 HydrophobicContact CD2-CG 3.85Å; Y818-L842 HydrophobicContact CE1-CD2 3.92Å; Y818-L842 HydrophobicContact CE2-CD1 3.72Å; Y818-L842 HydrophobicContact CE2-CD2 3.71Å; Y818-L842 HydrophobicContact CE2-CG 3.61Å; Y818-L842 HydrophobicContact CG-CD2 3.9Å; Y818-L842 HydrophobicContact CG-CG 4.49Å; S838-L842 PolarHBondContact O-N 2.87Å; Q839-L842 PolarHBondContact O-N 3.28Å; L842-G844 VanDerWaalsContact C-N 3.27Å; L842-G844 PolarHBondContact O-N 3.02Å; L842-L845 HydrophobicContact CD2-CD1 4.21Å; L842-L845 PolarHBondContact O-N 3.39Å; L842-L846 VanDerWaalsContact O-CB 3.27Å; L842-L846 WeakPolarHBondContact O-CB 3.39Å; L842-L846 PolarHBondContact O-N 2.99Å; L842-F889 HydrophobicContact CD2-CE1 4.2Å; L842-E908 HydrophobicContact CD1-CG 3.47Å; L842-E908 VanDerWaalsContact CD1-CG 3.47Å; L842-L911 HydrophobicContact CB-CB 4.03Å; L842-L911 HydrophobicContact CB-CD1 4.01Å; L842-L911 HydrophobicContact CD1-CB 4.22Å; L842-L912 HydrophobicContact CD1-CD2 3.67Å; L842-L912 HydrophobicContact CD1-CG 3.72Å; L842-L912 HydrophobicContact CD2-CD2 4.03Å; L842-I915 HydrophobicContact CB-CD1 4.37Å; L842-I915 HydrophobicContact CD2-CD1 3.93Å
843D90.2Very high82.8Confident25 Ų2529.5 Ų29.513%0.13414%0.142CC..Hα-helixtrans-62.5-38.3176-154.349.4000110.2Q839 L840 R847 L911Q839-D843 VanDerWaalsContact O-CB 3.31Å; Q839-D843 WeakPolarHBondContact O-CB 3.34Å; Q839-D843 PolarHBondContact O-N 3.26Å; L840-D843 PolarHBondContact O-N 2.91Å; D843-R847 WeakPolarHBondContact O-CG 3.43Å; D843-R847 PolarHBondContact O-N 2.92Å; D843-R847 PolarHBondContact O-NH1 3.43Å; D843-R847 IonicContact OD1-CZ 3.97Å; D843-R847 IonicContact OD1-NH1 3.92Å; D843-R847 PolarHBondContact OD1-NH1 3.04Å; D843-R847 IonicContact OD1-NH2 3.75Å; D843-R847 IonicContact OD2-CZ 3.47Å; D843-R847 IonicContact OD2-NH1 2.66Å; D843-R847 PolarHBondContact OD2-NH1 3.36Å; D843-R847 IonicContact OD2-NH2 3.4Å; D843-R847 PolarHBondContact OD2-NH2 3.36Å; D843-L911 HydrophobicContact CB-CD1 4.23Å
844G90.6Very high84.1Confident0 Ų021.4 Ų21.40%011%0.108CC..Hα-helixtrans-63.2-58.9168.900000113L840 C841 L842 L846 R847 I848L840-G844 PolarHBondContact O-N 3.49Å; C841-G844 PolarHBondContact O-N 2.83Å; L842-G844 VanDerWaalsContact C-N 3.27Å; L842-G844 PolarHBondContact O-N 3.02Å; G844-L846 VanDerWaalsContact C-N 3.31Å; G844-L846 PolarHBondContact O-N 3.3Å; G844-R847 PolarHBondContact O-N 3.44Å; G844-I848 WeakPolarHBondContact O-CG1 3.47Å; G844-I848 PolarHBondContact O-N 3.2Å
845L91.9Very high84.8Confident0 Ų020.9 Ų20.90%011%0.106CC..Hα-helixtrans-53.6-45-179.1-74.1168.4000112.5T811 L814 M815 C841 L842 R847 I848 F849 F889 I915T811-L845 HydrophobicContact CG2-CD2 3.73Å; L814-L845 HydrophobicContact CB-CD1 4.31Å; L814-L845 HydrophobicContact CB-CD2 3.93Å; L814-L845 HydrophobicContact CB-CG 3.88Å; L814-L845 HydrophobicContact CD1-CG 4.49Å; M815-L845 HydrophobicContact SD-CD1 4.16Å; C841-L845 WeakPolarHBondContact O-CG 3.26Å; C841-L845 PolarHBondContact O-N 2.94Å; L842-L845 HydrophobicContact CD2-CD1 4.21Å; L842-L845 PolarHBondContact O-N 3.39Å; L845-R847 VanDerWaalsContact C-N 3.31Å; L845-R847 PolarHBondContact O-N 3.28Å; L845-I848 PolarHBondContact O-N 3.12Å; L845-F849 HydrophobicContact CB-CD2 4.49Å; L845-F849 HydrophobicContact CB-CE2 4.11Å; L845-F849 HydrophobicContact CD2-CE2 4.48Å; L845-F849 HydrophobicContact CD2-CZ 4.44Å; L845-F849 WeakPolarHBondContact O-CD2 3.43Å; L845-F849 WeakPolarHBondContact O-CG 3.19Å; L845-F849 PolarHBondContact O-N 3.13Å; L845-F889 HydrophobicContact CD1-CZ 4.47Å; L845-I915 HydrophobicContact CB-CD1 4.32Å
846L91.8Very high85.2Confident26 Ų2620 Ų2014%0.13610%0.099CC..Hα-helixtrans-56.6-43.7176.2176.659.6000112.2L842 G844 T850 L911 I915 V918L842-L846 VanDerWaalsContact O-CB 3.27Å; L842-L846 WeakPolarHBondContact O-CB 3.39Å; L842-L846 PolarHBondContact O-N 2.99Å; G844-L846 VanDerWaalsContact C-N 3.31Å; G844-L846 PolarHBondContact O-N 3.3Å; L846-T850 VanDerWaalsContact O-CB 3.24Å; L846-T850 WeakPolarHBondContact O-CB 3.36Å; L846-T850 PolarHBondContact O-N 2.93Å; L846-T850 PolarHBondContact O-OG1 3.13Å; L846-L911 HydrophobicContact CD2-CD2 3.63Å; L846-I915 HydrophobicContact CB-CD1 4.36Å; L846-I915 HydrophobicContact CB-CG1 3.84Å; L846-I915 HydrophobicContact CD1-CG1 3.94Å; L846-I915 HydrophobicContact CG-CG1 4.45Å; L846-V918 HydrophobicContact CD1-CG2 4.11Å
847R90.5Very high85Confident42 Ų4222.4 Ų22.416%0.15812%0.115CC..Hα-helixtrans-70.7-35.6177.4-71.6169.2-179.367.9-14.7112.5I783 D843 G844 L845 T850 T851I783-R847 HydrophobicContact CG2-CB 3.56Å; D843-R847 WeakPolarHBondContact O-CG 3.43Å; D843-R847 PolarHBondContact O-N 2.92Å; D843-R847 PolarHBondContact O-NH1 3.43Å; D843-R847 IonicContact OD1-CZ 3.97Å; D843-R847 IonicContact OD1-NH1 3.92Å; D843-R847 PolarHBondContact OD1-NH1 3.04Å; D843-R847 IonicContact OD1-NH2 3.75Å; D843-R847 IonicContact OD2-CZ 3.47Å; D843-R847 IonicContact OD2-NH1 2.66Å; D843-R847 PolarHBondContact OD2-NH1 3.36Å; D843-R847 IonicContact OD2-NH2 3.4Å; D843-R847 PolarHBondContact OD2-NH2 3.36Å; G844-R847 PolarHBondContact O-N 3.44Å; L845-R847 VanDerWaalsContact C-N 3.31Å; L845-R847 PolarHBondContact O-N 3.28Å; R847-T850 PolarHBondContact O-N 3.31Å; R847-T851 WeakPolarHBondContact O-CB 3.4Å; R847-T851 PolarHBondContact O-N 3.48Å; R847-T851 PolarHBondContact O-OG1 2.94Å
848I91.2Very high84.5Confident0 Ų028.2 Ų28.20%014%0.141CC..Hα-helixtrans-63.8-51.2175.7-56.3172.9000109.7I783 L807 M810 T811 L814 G844 L845 T850 T851 C852 L863I783-I848 HydrophobicContact CD1-CD1 3.87Å; I783-I848 HydrophobicContact CD1-CG1 3.82Å; I783-I848 HydrophobicContact CG1-CG1 4.25Å; I783-I848 HydrophobicContact CG2-CG1 3.82Å; L807-I848 HydrophobicContact CB-CG2 3.93Å; L807-I848 HydrophobicContact CD1-CG2 4.39Å; L807-I848 HydrophobicContact CD2-CG1 4.05Å; L807-I848 HydrophobicContact CD2-CG2 4.09Å; L807-I848 HydrophobicContact CG-CG2 4.37Å; M810-I848 HydrophobicContact CB-CD1 4.16Å; T811-I848 WeakPolarHBondContact OG1-CD1 3.4Å; T811-I848 WeakPolarHBondContact OG1-CG2 3.43Å; L814-I848 HydrophobicContact CD1-CD1 4.15Å; G844-I848 WeakPolarHBondContact O-CG1 3.47Å; G844-I848 PolarHBondContact O-N 3.2Å; L845-I848 PolarHBondContact O-N 3.12Å; I848-T850 VanDerWaalsContact C-N 3.29Å; I848-T850 PolarHBondContact O-N 3.47Å; I848-T851 PolarHBondContact O-N 3.35Å; I848-C852 WeakPolarHBondContact O-CB 3.42Å; I848-C852 PolarHBondContact O-N 3Å; I848-C852 PolarHBondContact O-SG 3.03Å; I848-L863 HydrophobicContact CG2-CD1 4.03Å; I848-L863 HydrophobicContact CG2-CD2 4.2Å
849F89.4Confident84.2Confident0 Ų030.3 Ų30.30%015%0.15CC..Hα-helixtrans-60.1-39.1177.1-62.2-46.8000112.3T811 L845 Q853 M860 L863 L864 M867 F889 I915 V918 L919T811-F849 HydrophobicContact CG2-CE1 4.14Å; T811-F849 HydrophobicContact CG2-CZ 4.24Å; L845-F849 HydrophobicContact CB-CD2 4.49Å; L845-F849 HydrophobicContact CB-CE2 4.11Å; L845-F849 HydrophobicContact CD2-CE2 4.48Å; L845-F849 HydrophobicContact CD2-CZ 4.44Å; L845-F849 WeakPolarHBondContact O-CD2 3.43Å; L845-F849 WeakPolarHBondContact O-CG 3.19Å; L845-F849 PolarHBondContact O-N 3.13Å; F849-Q853 VanDerWaalsContact O-CB 3.28Å; F849-Q853 WeakPolarHBondContact O-CB 3.3Å; F849-Q853 PolarHBondContact O-N 2.9Å; F849-M860 WeakPolarHBondContact O-CE 3.49Å; F849-L863 HydrophobicContact CD1-CD2 3.73Å; F849-L863 HydrophobicContact CE1-CD2 3.97Å; F849-L864 HydrophobicContact CE1-CD2 4.31Å; F849-M867 HydrophobicContact CE1-SD 4.36Å; F849-M867 HydrophobicContact CZ-SD 4.41Å; F849-F889 HydrophobicContact CE2-CE2 4.04Å; F849-F889 HydrophobicContact CE2-CZ 4.01Å; F849-F889 HydrophobicContact CZ-CE2 4.31Å; F849-F889 HydrophobicContact CZ-CZ 4.41Å; F849-I915 HydrophobicContact CD2-CG1 4.48Å; F849-I915 HydrophobicContact CD2-CG2 3.93Å; F849-I915 HydrophobicContact CE2-CG2 3.9Å; F849-V918 HydrophobicContact CB-CG1 3.79Å; F849-L919 HydrophobicContact CD1-CD2 4.15Å; F849-L919 HydrophobicContact CE1-CD2 4.38Å; F849-L919 HydrophobicContact CG-CD2 4.23Å
850T88.2Confident83.9Confident20 Ų2029.7 Ų29.712%0.12315%0.147CC..Hα-helixtrans-66.9-45.1176.6-58.90000111.8E787 L846 R847 I848 Q853 Q854E787-T850 VanDerWaalsContact OE1-CG2 3.3Å; E787-T850 WeakPolarHBondContact OE1-CG2 3.29Å; L846-T850 VanDerWaalsContact O-CB 3.24Å; L846-T850 WeakPolarHBondContact O-CB 3.36Å; L846-T850 PolarHBondContact O-N 2.93Å; L846-T850 PolarHBondContact O-OG1 3.13Å; R847-T850 PolarHBondContact O-N 3.31Å; I848-T850 VanDerWaalsContact C-N 3.29Å; I848-T850 PolarHBondContact O-N 3.47Å; T850-Q853 PolarHBondContact O-N 3.23Å; T850-Q854 HydrophobicContact CG2-CG 4.45Å; T850-Q854 WeakPolarHBondContact O-CB 3.43Å; T850-Q854 VanDerWaalsContact O-CG 3.31Å; T850-Q854 WeakPolarHBondContact O-CG 3.34Å; T850-Q854 PolarHBondContact O-N 2.89Å
851T85.7Confident83.4Confident5 Ų530.4 Ų30.43%0.03116%0.156CC..Hα-helixtrans-62.4-45.3177.4-59.80000111.1L786 L807 R847 I848 Q854 R855L786-T851 HydrophobicContact CD2-CG2 4.13Å; L786-T851 HydrophobicContact CG-CG2 4.05Å; L807-T851 HydrophobicContact CD1-CG2 4.5Å; R847-T851 WeakPolarHBondContact O-CB 3.4Å; R847-T851 PolarHBondContact O-N 3.48Å; R847-T851 PolarHBondContact O-OG1 2.94Å; I848-T851 PolarHBondContact O-N 3.35Å; T851-Q854 PolarHBondContact O-N 2.91Å; T851-R855 WeakPolarHBondContact O-CB 3.41Å; T851-R855 PolarHBondContact O-N 2.95Å
852C85.3Confident82.9Confident2 Ų235.3 Ų35.31%0.01418%0.179CC..Hα-helixtrans-65.3-41.8176.3-70.50000111.5I848 Q854 C856 P857 M860 L863I848-C852 WeakPolarHBondContact O-CB 3.42Å; I848-C852 PolarHBondContact O-N 3Å; I848-C852 PolarHBondContact O-SG 3.03Å; C852-Q854 PolarHBondContact O-N 3.46Å; C852-C856 CarbonylContact O-C 3.6Å; C852-C856 WeakPolarHBondContact O-CA 3.34Å; C852-C856 PolarHBondContact O-N 3.44Å; C852-P857 VanDerWaalsContact O-N 3.17Å; C852-M860 HydrophobicContact CB-CE 3.47Å; C852-M860 VanDerWaalsContact CB-CE 3.47Å; C852-M860 HydrophobicContact CB-SD 4.24Å; C852-L863 HydrophobicContact CB-CD2 4.15Å
853Q80.6Confident82.5Confident24 Ų2435.3 Ų35.311%0.11218%0.179CC..Hα-helixtrans-62.4-39.3175.4176.2168.283.600112.5A313 F849 T850 M860 V918A313-Q853 HydrophobicContact CB-CG 3.75Å; F849-Q853 VanDerWaalsContact O-CB 3.28Å; F849-Q853 WeakPolarHBondContact O-CB 3.3Å; F849-Q853 PolarHBondContact O-N 2.9Å; T850-Q853 PolarHBondContact O-N 3.23Å; Q853-M860 HydrophobicContact CB-CE 4.01Å; Q853-M860 VanDerWaalsContact N-CE 3.31Å; Q853-V918 HydrophobicContact CB-CG1 4.44Å; Q853-V918 PolarHBondContact NE2-O 3.29Å; Q853-V918 VanDerWaalsContact NE2-O 3.08Å
854Q75.9Confident82Confident52 Ų5234.2 Ų34.224%0.24317%0.173CC..Hα-helixtrans-80.4-44.9-177.7-70.617714.900113.6V311 T850 T851 C852V311-Q854 HydrophobicContact CB-CG 4.46Å; V311-Q854 WeakPolarHBondContact O-CG 3.43Å; V311-Q854 PolarHBondContact O-NE2 3.46Å; T850-Q854 HydrophobicContact CG2-CG 4.45Å; T850-Q854 WeakPolarHBondContact O-CB 3.43Å; T850-Q854 VanDerWaalsContact O-CG 3.31Å; T850-Q854 WeakPolarHBondContact O-CG 3.34Å; T850-Q854 PolarHBondContact O-N 2.89Å; T851-Q854 PolarHBondContact O-N 2.91Å; C852-Q854 PolarHBondContact O-N 3.46Å
855R71.1Confident81.2Confident90 Ų9037.6 Ų37.634%0.3420%0.197SC..Hα-helixtrans-100.4-30.2-170.1-62.5-170.6177.8-80.4-5.9113.8E308 L786 E787 G790 T851E308-R855 IonicContact OE2-NH1 3.41Å; E308-R855 IonicContact OE2-NH2 2.6Å; E308-R855 PolarHBondContact OE2-NH2 3.38Å; L786-R855 PolarHBondContact O-NE 3.48Å; E787-R855 PolarHBondContact O-NE 3.22Å; E787-R855 PolarHBondContact O-NH2 2.91Å; G790-R855 VanDerWaalsContact CA-CZ 3.47Å; T851-R855 WeakPolarHBondContact O-CB 3.41Å; T851-R855 PolarHBondContact O-N 2.95Å
856C70.9Confident80.2Confident42 Ų4239.4 Ų39.428%0.28421%0.211SC..  trans-141.557-174.3-62.40000112.9C852 E858 K859C852-C856 CarbonylContact O-C 3.6Å; C852-C856 WeakPolarHBondContact O-CA 3.34Å; C852-C856 PolarHBondContact O-N 3.44Å; C856-E858 VanDerWaalsContact C-N 3.25Å; C856-E858 PolarHBondContact O-N 3.21Å; C856-K859 HydrophobicContact CB-CB 4.13Å; C856-K859 HydrophobicContact CB-CD 4.39Å; C856-K859 HydrophobicContact CB-CG 4.3Å; C856-K859 PolarHBondContact O-N 3.01Å
857P72.6Confident79Confident78 Ų7838.7 Ų38.751%0.50621%0.208SC..G310 helixtrans-58.5-35.6-173.623.4-34.4000113.2C852 K859 M860C852-P857 VanDerWaalsContact O-N 3.17Å; P857-K859 VanDerWaalsContact C-N 3.28Å; P857-K859 PolarHBondContact O-N 3.06Å; P857-M860 VanDerWaalsContact O-CB 3.23Å; P857-M860 WeakPolarHBondContact O-CB 3.42Å; P857-M860 PolarHBondContact O-N 3.37Å
858E72.8Confident77.6Confident143 Ų14339.6 Ų39.667%0.66822%0.216SC*.G310 helixtrans-63.3-30.6176.3-66.8162.5-162.500112.9C856 M860C856-E858 VanDerWaalsContact C-N 3.25Å; C856-E858 PolarHBondContact O-N 3.21Å; E858-M860 VanDerWaalsContact C-N 3.32Å
859K77.4Confident75.8Confident45 Ų4544.5 Ų44.520%0.19625%0.245CC..G310 helixtrans-87.11.1179.1-58.4-168177.2-172.30113.4D801 F804 C856 P857 A861 Q862 L863D801-K859 IonicContact OD1-NZ 3.61Å; D801-K859 PolarHBondContact OD1-NZ 2.67Å; F804-K859 HydrophobicContact CD1-CD 4.02Å; F804-K859 HydrophobicContact CD2-CB 4.34Å; F804-K859 HydrophobicContact CD2-CD 4.24Å; F804-K859 HydrophobicContact CE1-CB 4.12Å; F804-K859 HydrophobicContact CE1-CD 4.12Å; F804-K859 HydrophobicContact CE2-CB 3.69Å; F804-K859 HydrophobicContact CE2-CD 4.35Å; F804-K859 HydrophobicContact CG-CD 4.09Å; F804-K859 HydrophobicContact CZ-CB 3.58Å; F804-K859 HydrophobicContact CZ-CD 4.31Å; F804-K859 VanDerWaalsContact CZ-O 3.32Å; F804-K859 WeakPolarHBondContact CZ-O 3.27Å; C856-K859 HydrophobicContact CB-CB 4.13Å; C856-K859 HydrophobicContact CB-CD 4.39Å; C856-K859 HydrophobicContact CB-CG 4.3Å; C856-K859 PolarHBondContact O-N 3.01Å; P857-K859 VanDerWaalsContact C-N 3.28Å; P857-K859 PolarHBondContact O-N 3.06Å; K859-A861 PolarHBondContact O-N 3.43Å; K859-Q862 WeakPolarHBondContact O-CB 3.3Å; K859-Q862 PolarHBondContact O-N 2.87Å; K859-L863 PolarHBondContact O-N 2.78Å
860M79.3Confident73.6Confident10 Ų1052.7 Ų52.75%0.04928%0.284CS..Hα-helixtrans-59.7-37.2178.2-173.561.869.300112.2F849 C852 Q853 P857 E858 Q862 L863 L864 Q922F849-M860 WeakPolarHBondContact O-CE 3.49Å; C852-M860 HydrophobicContact CB-CE 3.47Å; C852-M860 VanDerWaalsContact CB-CE 3.47Å; C852-M860 HydrophobicContact CB-SD 4.24Å; Q853-M860 HydrophobicContact CB-CE 4.01Å; Q853-M860 VanDerWaalsContact N-CE 3.31Å; P857-M860 VanDerWaalsContact O-CB 3.23Å; P857-M860 WeakPolarHBondContact O-CB 3.42Å; P857-M860 PolarHBondContact O-N 3.37Å; E858-M860 VanDerWaalsContact C-N 3.32Å; M860-Q862 VanDerWaalsContact C-N 3.32Å; M860-Q862 PolarHBondContact O-N 3.5Å; M860-L863 WeakPolarHBondContact O-CB 3.42Å; M860-L863 PolarHBondContact O-N 3.17Å; M860-L863 HydrophobicContact SD-CD2 3.94Å; M860-L864 HydrophobicContact CG-CD1 4.32Å; M860-L864 WeakPolarHBondContact O-CG 3.39Å; M860-L864 PolarHBondContact O-N 3.23Å; M860-L864 VanDerWaalsContact O-N 3.07Å; M860-Q922 VanDerWaalsContact CG-CD 3.49Å; M860-Q922 PolarHBondContact SD-NE2 3.43Å
861A74.8Confident71.2Confident34 Ų3459.3 Ų59.328%0.28132%0.318SS..Hα-helixtrans-56.4-45.5172.200000112.1K859 L863 L864 S865 V878K859-A861 PolarHBondContact O-N 3.43Å; A861-L863 VanDerWaalsContact C-N 3.32Å; A861-L863 PolarHBondContact O-N 2.86Å; A861-L864 PolarHBondContact O-N 3.22Å; A861-S865 PolarHBondContact O-N 3.41Å; A861-S865 PolarHBondContact O-OG 2.85Å; A861-V878 HydrophobicContact CB-CB 4.37Å; A861-V878 HydrophobicContact CB-CG1 3.65Å; A861-V878 HydrophobicContact CB-CG2 3.71Å
862Q79.8Confident69Low104 Ų10468.8 Ų68.849%0.48636%0.362SS..Hα-helixtrans-69.7-27179.8-60175-500112.9F804 K859 M860 S865 A866F804-Q862 HydrophobicContact CE1-CB 3.99Å; F804-Q862 HydrophobicContact CZ-CB 4Å; K859-Q862 WeakPolarHBondContact O-CB 3.3Å; K859-Q862 PolarHBondContact O-N 2.87Å; M860-Q862 VanDerWaalsContact C-N 3.32Å; M860-Q862 PolarHBondContact O-N 3.5Å; Q862-S865 WeakPolarHBondContact CA-OG 3.4Å; Q862-S865 PolarHBondContact O-OG 2.97Å; Q862-A866 WeakPolarHBondContact O-CB 3.37Å; Q862-A866 PolarHBondContact O-N 3.39Å
863L82.7Confident66.7Low0 Ų071.7 Ų71.70%039%0.386CS..Hα-helixtrans-70.4-47.7173.2-175.582.2000110.2F804 L807 I848 F849 C852 K859 M860 A861 A866F804-L863 HydrophobicContact CE2-CB 4.27Å; F804-L863 HydrophobicContact CE2-CD1 4.36Å; F804-L863 HydrophobicContact CZ-CB 4.12Å; L807-L863 HydrophobicContact CB-CD1 4.44Å; I848-L863 HydrophobicContact CG2-CD1 4.03Å; I848-L863 HydrophobicContact CG2-CD2 4.2Å; F849-L863 HydrophobicContact CD1-CD2 3.73Å; F849-L863 HydrophobicContact CE1-CD2 3.97Å; C852-L863 HydrophobicContact CB-CD2 4.15Å; K859-L863 PolarHBondContact O-N 2.78Å; M860-L863 WeakPolarHBondContact O-CB 3.42Å; M860-L863 PolarHBondContact O-N 3.17Å; M860-L863 HydrophobicContact SD-CD2 3.94Å; A861-L863 VanDerWaalsContact C-N 3.32Å; A861-L863 PolarHBondContact O-N 2.86Å; L863-A866 PolarHBondContact O-N 2.98Å
864L78.6Confident65Low1 Ų179.1 Ų79.11%0.00542%0.421CS..Hα-helixtrans-67.7-40.6-178.8-65170.9000111.6F849 M860 A861 A866 M867 M881 N882 Y885F849-L864 HydrophobicContact CE1-CD2 4.31Å; M860-L864 HydrophobicContact CG-CD1 4.32Å; M860-L864 WeakPolarHBondContact O-CG 3.39Å; M860-L864 PolarHBondContact O-N 3.23Å; M860-L864 VanDerWaalsContact O-N 3.07Å; A861-L864 PolarHBondContact O-N 3.22Å; L864-A866 VanDerWaalsContact C-N 3.25Å; L864-A866 PolarHBondContact O-N 3.07Å; L864-M867 HydrophobicContact CD2-SD 4.28Å; L864-M867 WeakPolarHBondContact O-CB 3.46Å; L864-M867 PolarHBondContact O-N 3.41Å; L864-M867 VanDerWaalsContact O-N 3.15Å; L864-M881 HydrophobicContact CB-CG 4.19Å; L864-N882 HydrophobicContact CD1-CB 3.77Å; L864-Y885 HydrophobicContact CD2-CD2 4.01Å; L864-Y885 HydrophobicContact CD2-CG 4.41Å
865S75Confident63.5Low72 Ų7286.4 Ų86.450%0.50346%0.455SS..Hα-helixtrans-66-25.2176.468.50000113.5A861 Q862 M867A861-S865 PolarHBondContact O-N 3.41Å; A861-S865 PolarHBondContact O-OG 2.85Å; Q862-S865 WeakPolarHBondContact CA-OG 3.4Å; Q862-S865 PolarHBondContact O-OG 2.97Å; S865-M867 PolarHBondContact O-N 2.77Å
866A71.3Confident62.4Low37 Ų3786.3 Ų86.331%0.30646%0.461SS..THydrogen-bonded Turntrans-76.7-6.2176.700000113.6C808 S812 Q862 L863 L864C808-A866 HydrophobicContact CB-CB 3.73Å; S812-A866 PolarHBondContact OG-O 3.37Å; Q862-A866 WeakPolarHBondContact O-CB 3.37Å; Q862-A866 PolarHBondContact O-N 3.39Å; L863-A866 PolarHBondContact O-N 2.98Å; L864-A866 VanDerWaalsContact C-N 3.25Å; L864-A866 PolarHBondContact O-N 3.07Å
867M66Low62.2Low12 Ų1288.7 Ų88.76%0.05947%0.471CS..THydrogen-bonded Turntrans-87-29.2176.1-61.717667.600112.2T811 S812 M815 F849 L864 S865 V869 Y885T811-M867 HydrophobicContact CG2-CE 3.88Å; T811-M867 HydrophobicContact CG2-CG 3.88Å; T811-M867 HydrophobicContact CG2-SD 3.48Å; T811-M867 WeakPolarHBondContact CG2-SD 3.38Å; S812-M867 WeakPolarHBondContact OG-CA 3.49Å; M815-M867 HydrophobicContact CB-CE 3.73Å; M815-M867 HydrophobicContact CG-CE 3.57Å; M815-M867 HydrophobicContact SD-CE 4.17Å; F849-M867 HydrophobicContact CE1-SD 4.36Å; F849-M867 HydrophobicContact CZ-SD 4.41Å; L864-M867 HydrophobicContact CD2-SD 4.28Å; L864-M867 WeakPolarHBondContact O-CB 3.46Å; L864-M867 PolarHBondContact O-N 3.41Å; L864-M867 VanDerWaalsContact O-N 3.15Å; S865-M867 PolarHBondContact O-N 2.77Å; M867-V869 PolarHBondContact O-N 3Å; M867-Y885 HydrophobicContact CB-CE1 4.04Å; M867-Y885 HydrophobicContact CB-CE2 4.16Å; M867-Y885 WeakPolarHBondContact CB-OH 3.5Å; M867-Y885 HydrophobicContact CE-CD1 3.68Å; M867-Y885 HydrophobicContact CE-CE1 3.44Å; M867-Y885 VanDerWaalsContact CE-CE1 3.44Å; M867-Y885 HydrophobicContact CE-CG 4.48Å; M867-Y885 HydrophobicContact SD-CD1 4.32Å; M867-Y885 HydrophobicContact SD-CE1 4.11Å; M867-Y885 HydrophobicContact SD-CE2 4.45Å
868D61.9Low62Low60 Ų6088.6 Ų88.632%0.32147%0.469SS..  trans-76.8112.5171.8-79.111.6000109.7M881 Y885D868-M881 WeakPolarHBondContact OD2-CE 3.3Å; D868-Y885 PolarHBondContact OD1-OH 2.9Å
869V52.5Low61.9Low103 Ų10382.8 Ų82.862%0.62445%0.445SS*.  trans-118.31.8177.5-176.30000110.7M867M867-V869 PolarHBondContact O-N 3Å
870E43Very low62Low173 Ų17385.4 Ų85.481%0.80846%0.458SS*.SBendtrans-124.9133.3175.9-67.1-179.2178.700108.4
871D38.4Very low61.9Low158 Ų15886.2 Ų86.285%0.84546%0.462SS*.  trans76.2128.6-176.6-59.7-27.4000119.2A873D871-A873 PolarHBondContact O-N 3.36Å
872E39.2Very low62.3Low205 Ų20584.7 Ų84.796%0.95845%0.449SS*.  trans-71.770164.4-66.1-175.5151.900109.5
873A37.5Very low62.5Low63 Ų6380.7 Ų80.752%0.52143%0.43SS..  trans-67.9144.2171.300000110.6D871D871-A873 PolarHBondContact O-N 3.36Å
874E43.6Very low62.7Low179 Ų17985.4 Ų85.484%0.83645%0.451SS*.  trans-58.1170.5164.9-60.6-178152.600109.8D876E874-D876 PolarHBondContact O-N 3.31Å
875Q44.7Very low63Low205 Ų20585.7 Ų85.796%0.95845%0.452SS*.  trans-67.279.4179.4-73-177.8-42.500111.9
876D49.1Very low63.7Low88 Ų8882.3 Ų82.347%0.47143%0.428SS..  trans-58.1141.7175.4-90.9-9.5000110.4E874 V878E874-D876 PolarHBondContact O-N 3.31Å; D876-V878 PolarHBondContact O-N 3.38Å
877D66.1Low64.6Low93 Ų9386.7 Ų86.750%0.49744%0.437SS..  trans-57127.3175.1179.4-5.7000108.6A879 E880 M881D877-A879 PolarHBondContact O-N 3.04Å; D877-A879 WeakPolarHBondContact OD1-CB 3.5Å; D877-A879 PolarHBondContact OD1-N 2.79Å; D877-E880 HydrophobicContact CB-CG 4.3Å; D877-E880 WeakPolarHBondContact O-CA 3.33Å; D877-E880 PolarHBondContact O-N 3.45Å; D877-M881 PolarHBondContact O-N 2.82Å
878V67.8Low65.6Low75 Ų7588.9 Ų88.946%0.45545%0.447SS..Hα-helixtrans-48.8-29.9178.11790000111.8A861 D876 N882A861-V878 HydrophobicContact CB-CB 4.37Å; A861-V878 HydrophobicContact CB-CG1 3.65Å; A861-V878 HydrophobicContact CB-CG2 3.71Å; D876-V878 PolarHBondContact O-N 3.38Å; V878-N882 WeakPolarHBondContact O-CB 3.29Å; V878-N882 PolarHBondContact O-N 3.46Å; V878-N882 VanDerWaalsContact O-N 3.08Å
879A72Confident67Low21 Ų2186 Ų8617%0.17443%0.431CS..Hα-helixtrans-66.2-34174.700000114.1D877 Y883D877-A879 PolarHBondContact O-N 3.04Å; D877-A879 WeakPolarHBondContact OD1-CB 3.5Å; D877-A879 PolarHBondContact OD1-N 2.79Å; A879-Y883 VanDerWaalsContact O-CB 3.28Å; A879-Y883 WeakPolarHBondContact O-CB 3.35Å; A879-Y883 PolarHBondContact O-N 3.4Å
880E78.6Confident68.8Low100 Ų10081.7 Ų81.747%0.46740%0.404SS..Hα-helixtrans-76.4-43.4177.5-57.1-149.4141.900111D877 N882 Y883 F884 Q929D877-E880 HydrophobicContact CB-CG 4.3Å; D877-E880 WeakPolarHBondContact O-CA 3.33Å; D877-E880 PolarHBondContact O-N 3.45Å; E880-N882 PolarHBondContact O-N 2.89Å; E880-Y883 CarbonylContact O-C 3.58Å; E880-Y883 WeakPolarHBondContact O-CA 3.26Å; E880-Y883 PolarHBondContact O-N 3.34Å; E880-F884 PolarHBondContact O-N 2.85Å; E880-Q929 PolarHBondContact OE1-NE2 3.39Å
881M77.8Confident71Confident27 Ų2782.7 Ų82.713%0.13340%0.401CS..Hα-helixtrans-58.5-49.2175.1-169.652.563.500112.2L864 D868 D877 Y883 F884 Y885L864-M881 HydrophobicContact CB-CG 4.19Å; D868-M881 WeakPolarHBondContact OD2-CE 3.3Å; D877-M881 PolarHBondContact O-N 2.82Å; M881-Y883 VanDerWaalsContact C-N 3.25Å; M881-Y883 PolarHBondContact O-N 3.25Å; M881-F884 WeakPolarHBondContact O-CB 3.32Å; M881-F884 PolarHBondContact O-N 3Å; M881-Y885 HydrophobicContact CG-CD2 4.48Å; M881-Y885 HydrophobicContact CG-CE2 4.25Å; M881-Y885 VanDerWaalsContact O-CD2 3.3Å; M881-Y885 WeakPolarHBondContact O-CD2 3.37Å; M881-Y885 PolarHBondContact O-N 3.31Å; M881-Y885 HydrophobicContact SD-CD2 4.3Å; M881-Y885 HydrophobicContact SD-CE2 3.71Å
882N82.4Confident73.4Confident2 Ų276.2 Ų76.21%0.01137%0.369CS..Hα-helixtrans-58.1-39.4173.417934.8000111.9L864 V878 E880 Y885 I886 L919L864-N882 HydrophobicContact CD1-CB 3.77Å; V878-N882 WeakPolarHBondContact O-CB 3.29Å; V878-N882 PolarHBondContact O-N 3.46Å; V878-N882 VanDerWaalsContact O-N 3.08Å; E880-N882 PolarHBondContact O-N 2.89Å; N882-Y885 PolarHBondContact O-N 3.4Å; N882-I886 WeakPolarHBondContact O-CG1 3.22Å; N882-I886 PolarHBondContact O-N 3.22Å; N882-L919 PolarHBondContact ND2-O 3.36Å; N882-L919 VanDerWaalsContact ND2-O 3.17Å
883Y85.2Confident75.7Confident21 Ų2166.4 Ų66.48%0.08232%0.323CS..Hα-helixtrans-72.5-29.5-179.1-173.3-118.9000113.6A879 E880 M881 I886 R887 L923 Q929 Q932A879-Y883 VanDerWaalsContact O-CB 3.28Å; A879-Y883 WeakPolarHBondContact O-CB 3.35Å; A879-Y883 PolarHBondContact O-N 3.4Å; E880-Y883 CarbonylContact O-C 3.58Å; E880-Y883 WeakPolarHBondContact O-CA 3.26Å; E880-Y883 PolarHBondContact O-N 3.34Å; M881-Y883 VanDerWaalsContact C-N 3.25Å; M881-Y883 PolarHBondContact O-N 3.25Å; Y883-I886 HydrophobicContact CD2-CB 4.24Å; Y883-I886 HydrophobicContact CD2-CG2 4.16Å; Y883-I886 HydrophobicContact CE2-CG2 4.19Å; Y883-I886 PolarHBondContact O-N 3.33Å; Y883-R887 HydrophobicContact CE1-CG 4.19Å; Y883-R887 HydrophobicContact CE2-CG 4.33Å; Y883-R887 WeakPolarHBondContact O-CG 3.24Å; Y883-R887 PolarHBondContact O-N 3.02Å; Y883-R887 PolarHBondContact OH-NE 3.22Å; Y883-L923 HydrophobicContact CD2-CD1 4.49Å; Y883-Q929 HydrophobicContact CD1-CB 4.01Å; Y883-Q929 HydrophobicContact CD1-CG 3.63Å; Y883-Q929 HydrophobicContact CD2-CB 3.93Å; Y883-Q929 HydrophobicContact CD2-CG 4.41Å; Y883-Q929 HydrophobicContact CE1-CG 4.41Å; Y883-Q929 HydrophobicContact CG-CB 3.69Å; Y883-Q929 HydrophobicContact CG-CG 3.65Å; Y883-Q932 VanDerWaalsContact CE1-OE1 3.32Å; Y883-Q932 HydrophobicContact CE2-CB 4.39Å; Y883-Q932 VanDerWaalsContact OH-CB 3.24Å; Y883-Q932 WeakPolarHBondContact OH-CB 3.3Å; Y883-Q932 PolarHBondContact OH-OE1 2.95Å
884F86.3Confident78Confident98 Ų9867.8 Ų67.843%0.4332%0.318SS..Hα-helixtrans-60.2-49.3168.8173-109.1000111.4E880 M881 I886 R887 Q888E880-F884 PolarHBondContact O-N 2.85Å; M881-F884 WeakPolarHBondContact O-CB 3.32Å; M881-F884 PolarHBondContact O-N 3Å; F884-I886 PolarHBondContact O-N 3.42Å; F884-R887 WeakPolarHBondContact O-CB 3.43Å; F884-R887 PolarHBondContact O-N 3.22Å; F884-R887 VanDerWaalsContact O-N 3.1Å; F884-Q888 PolarHBondContact O-N 3.28Å
885Y84.4Confident80Confident8 Ų863.5 Ų63.53%0.03130%0.304CS..Hα-helixtrans-63.2-39.3175.7-75.9-67.5000112.9M815 L864 M867 D868 M881 N882 R887 Q888 F889M815-Y885 HydrophobicContact CE-CD1 4.32Å; L864-Y885 HydrophobicContact CD2-CD2 4.01Å; L864-Y885 HydrophobicContact CD2-CG 4.41Å; M867-Y885 HydrophobicContact CB-CE1 4.04Å; M867-Y885 HydrophobicContact CB-CE2 4.16Å; M867-Y885 WeakPolarHBondContact CB-OH 3.5Å; M867-Y885 HydrophobicContact CE-CD1 3.68Å; M867-Y885 HydrophobicContact CE-CE1 3.44Å; M867-Y885 VanDerWaalsContact CE-CE1 3.44Å; M867-Y885 HydrophobicContact CE-CG 4.48Å; M867-Y885 HydrophobicContact SD-CD1 4.32Å; M867-Y885 HydrophobicContact SD-CE1 4.11Å; M867-Y885 HydrophobicContact SD-CE2 4.45Å; D868-Y885 PolarHBondContact OD1-OH 2.9Å; M881-Y885 HydrophobicContact CG-CD2 4.48Å; M881-Y885 HydrophobicContact CG-CE2 4.25Å; M881-Y885 VanDerWaalsContact O-CD2 3.3Å; M881-Y885 WeakPolarHBondContact O-CD2 3.37Å; M881-Y885 PolarHBondContact O-N 3.31Å; M881-Y885 HydrophobicContact SD-CD2 4.3Å; M881-Y885 HydrophobicContact SD-CE2 3.71Å; N882-Y885 PolarHBondContact O-N 3.4Å; Y885-R887 VanDerWaalsContact C-N 3.34Å; Y885-R887 PolarHBondContact O-N 2.98Å; Y885-Q888 PolarHBondContact O-N 3.5Å; Y885-F889 WeakPolarHBondContact O-CD2 3.39Å; Y885-F889 PolarHBondContact O-N 3.09Å; Y885-F889 VanDerWaalsContact O-N 3.12Å
886I89.1Confident81.7Confident0 Ų054.8 Ų54.80%026%0.263CS..Hα-helixtrans-55.5-48.5170.3-72.8169.9000110.5N882 Y883 F884 Q888 F889 Q890 L916 L919 L923 M933N882-I886 WeakPolarHBondContact O-CG1 3.22Å; N882-I886 PolarHBondContact O-N 3.22Å; Y883-I886 HydrophobicContact CD2-CB 4.24Å; Y883-I886 HydrophobicContact CD2-CG2 4.16Å; Y883-I886 HydrophobicContact CE2-CG2 4.19Å; Y883-I886 PolarHBondContact O-N 3.33Å; F884-I886 PolarHBondContact O-N 3.42Å; I886-Q888 VanDerWaalsContact C-N 3.3Å; I886-Q888 PolarHBondContact O-N 2.94Å; I886-F889 PolarHBondContact O-N 3.01Å; I886-Q890 HydrophobicContact CG2-CG 4.08Å; I886-Q890 WeakPolarHBondContact O-CB 3.16Å; I886-Q890 VanDerWaalsContact O-CG 3.22Å; I886-Q890 WeakPolarHBondContact O-CG 3.47Å; I886-Q890 PolarHBondContact O-N 3.15Å; I886-L916 HydrophobicContact CG2-CD2 3.98Å; I886-L919 HydrophobicContact CD1-CB 3.93Å; I886-L919 HydrophobicContact CG1-CB 3.65Å; I886-L919 HydrophobicContact CG1-CD1 4.08Å; I886-L923 HydrophobicContact CD1-CD1 3.73Å; I886-L923 HydrophobicContact CD1-CD2 4.22Å; I886-L923 HydrophobicContact CD1-CG 4.02Å; I886-M933 HydrophobicContact CG2-SD 3.68Å
887R90.1Very high83.3Confident129 Ų12951.4 Ų51.449%0.48725%0.245SC..Hα-helixtrans-60.2-35.3177.5-77178.9169.5-1751.1113.3Y883 F884 Y885 R891Y883-R887 HydrophobicContact CE1-CG 4.19Å; Y883-R887 HydrophobicContact CE2-CG 4.33Å; Y883-R887 WeakPolarHBondContact O-CG 3.24Å; Y883-R887 PolarHBondContact O-N 3.02Å; Y883-R887 PolarHBondContact OH-NE 3.22Å; F884-R887 WeakPolarHBondContact O-CB 3.43Å; F884-R887 PolarHBondContact O-N 3.22Å; F884-R887 VanDerWaalsContact O-N 3.1Å; Y885-R887 VanDerWaalsContact C-N 3.34Å; Y885-R887 PolarHBondContact O-N 2.98Å; R887-R891 WeakPolarHBondContact O-CB 3.43Å; R887-R891 PolarHBondContact O-N 3.34Å
888Q87.8Confident84Confident58 Ų5850.6 Ų50.627%0.27125%0.246SC..Hα-helixtrans-63.9-48.8174.5-64.2-164.914.300111.8M815 F884 Y885 I886 Q890 R891 A892M815-Q888 HydrophobicContact CE-CB 4.08Å; F884-Q888 PolarHBondContact O-N 3.28Å; Y885-Q888 PolarHBondContact O-N 3.5Å; I886-Q888 VanDerWaalsContact C-N 3.3Å; I886-Q888 PolarHBondContact O-N 2.94Å; Q888-Q890 PolarHBondContact O-N 3.19Å; Q888-R891 PolarHBondContact O-N 3.21Å; Q888-A892 PolarHBondContact O-N 3.24Å
889F91Very high84.1Confident0 Ų048.4 Ų48.40%024%0.239CC..Hα-helixtrans-67.5-34.5177-67.6-64.4000112.9M815 L842 L845 F849 Y885 I886 A892 L893 L912 I915 L916 L919M815-F889 HydrophobicContact CE-CE1 3.97Å; M815-F889 HydrophobicContact CE-CE2 4.14Å; M815-F889 HydrophobicContact CE-CZ 3.72Å; M815-F889 HydrophobicContact SD-CE1 3.81Å; M815-F889 HydrophobicContact SD-CE2 4.33Å; M815-F889 HydrophobicContact SD-CZ 3.46Å; M815-F889 WeakPolarHBondContact SD-CZ 3.47Å; L842-F889 HydrophobicContact CD2-CE1 4.2Å; L845-F889 HydrophobicContact CD1-CZ 4.47Å; F849-F889 HydrophobicContact CE2-CE2 4.04Å; F849-F889 HydrophobicContact CE2-CZ 4.01Å; F849-F889 HydrophobicContact CZ-CE2 4.31Å; F849-F889 HydrophobicContact CZ-CZ 4.41Å; Y885-F889 WeakPolarHBondContact O-CD2 3.39Å; Y885-F889 PolarHBondContact O-N 3.09Å; Y885-F889 VanDerWaalsContact O-N 3.12Å; I886-F889 PolarHBondContact O-N 3.01Å; F889-A892 PolarHBondContact O-N 3.26Å; F889-L893 WeakPolarHBondContact O-CB 3.36Å; F889-L893 PolarHBondContact O-N 2.89Å; F889-L912 HydrophobicContact CD1-CD2 3.78Å; F889-I915 HydrophobicContact CD1-CG2 4.25Å; F889-I915 HydrophobicContact CD2-CG2 3.68Å; F889-I915 HydrophobicContact CE1-CD1 4.18Å; F889-I915 HydrophobicContact CE1-CG2 4.25Å; F889-I915 HydrophobicContact CE2-CG2 3.69Å; F889-I915 HydrophobicContact CG-CG2 3.99Å; F889-I915 HydrophobicContact CZ-CG2 3.97Å; F889-L916 HydrophobicContact CB-CD2 3.89Å; F889-L916 HydrophobicContact CB-CG 4.19Å; F889-L919 HydrophobicContact CD2-CD1 3.81Å; F889-L919 HydrophobicContact CE2-CD1 3.92Å
890Q90.9Very high83.7Confident12 Ų1249.3 Ų49.36%0.05625%0.251CS..Hα-helixtrans-58.7-45.9170.4-74.6-178.5-23.600111.4I886 Q888 L893 F894 L916 M933 W936I886-Q890 HydrophobicContact CG2-CG 4.08Å; I886-Q890 WeakPolarHBondContact O-CB 3.16Å; I886-Q890 VanDerWaalsContact O-CG 3.22Å; I886-Q890 WeakPolarHBondContact O-CG 3.47Å; I886-Q890 PolarHBondContact O-N 3.15Å; Q888-Q890 PolarHBondContact O-N 3.19Å; Q890-L893 PolarHBondContact O-N 2.82Å; Q890-F894 WeakPolarHBondContact O-CB 3.5Å; Q890-F894 PolarHBondContact O-N 3.05Å; Q890-L916 HydrophobicContact CG-CD2 3.91Å; Q890-M933 PolarHBondContact NE2-SD 3.42Å; Q890-W936 VanDerWaalsContact CA-CZ2 3.49Å; Q890-W936 HydrophobicContact CB-CD2 4.32Å; Q890-W936 HydrophobicContact CB-CH2 3.98Å; Q890-W936 HydrophobicContact CB-CZ2 3.42Å; Q890-W936 VanDerWaalsContact CB-CZ2 3.42Å; Q890-W936 HydrophobicContact CG-CD2 3.78Å; Q890-W936 HydrophobicContact CG-CE3 3.87Å; Q890-W936 HydrophobicContact CG-CH2 3.63Å; Q890-W936 HydrophobicContact CG-CZ2 3.5Å; Q890-W936 HydrophobicContact CG-CZ3 3.82Å
891R89.1Confident82.9Confident195 Ų19552 Ų5274%0.73626%0.263SS*.Hα-helixtrans-65.3-44177.6-175.1177.9178.3-176.5-1.6111.5R887 Q888 L893 F894 T895R887-R891 WeakPolarHBondContact O-CB 3.43Å; R887-R891 PolarHBondContact O-N 3.34Å; Q888-R891 PolarHBondContact O-N 3.21Å; R891-L893 VanDerWaalsContact C-N 3.34Å; R891-L893 PolarHBondContact O-N 3.26Å; R891-F894 PolarHBondContact O-N 3.01Å; R891-T895 PolarHBondContact O-N 3.31Å; R891-T895 PolarHBondContact O-OG1 3.45Å; R891-T895 VanDerWaalsContact O-OG1 3.06Å
892A87.7Confident82Confident21 Ų2160.2 Ų60.217%0.17430%0.301CS..Hα-helixtrans-60.2-42.7176.500000112.2Y818 Q888 F889 Q896 L912Y818-A892 HydrophobicContact CE1-CB 3.88Å; Q888-A892 PolarHBondContact O-N 3.24Å; F889-A892 PolarHBondContact O-N 3.26Å; A892-Q896 PolarHBondContact O-N 2.92Å; A892-L912 HydrophobicContact CB-CD1 4.45Å; A892-L912 HydrophobicContact CB-CD2 4.39Å
893L88.3Confident81.1Confident0 Ų065.1 Ų65.10%033%0.327CS..Hα-helixtrans-67.2-40.2174.6-176.556.7000111.8F889 Q890 R891 T895 Q896 L897 A909 L912 V913 L916 W936 F951F889-L893 WeakPolarHBondContact O-CB 3.36Å; F889-L893 PolarHBondContact O-N 2.89Å; Q890-L893 PolarHBondContact O-N 2.82Å; R891-L893 VanDerWaalsContact C-N 3.34Å; R891-L893 PolarHBondContact O-N 3.26Å; L893-T895 PolarHBondContact O-N 3.36Å; L893-Q896 WeakPolarHBondContact O-CB 3.35Å; L893-Q896 PolarHBondContact O-N 3.23Å; L893-Q896 VanDerWaalsContact O-N 3.12Å; L893-L897 HydrophobicContact CD1-CD1 4.02Å; L893-L897 HydrophobicContact CD1-CG 4.14Å; L893-L897 HydrophobicContact CD2-CD1 4.45Å; L893-L897 HydrophobicContact CG-CD1 3.78Å; L893-L897 HydrophobicContact CG-CG 4.35Å; L893-L897 VanDerWaalsContact O-CG 3.29Å; L893-L897 WeakPolarHBondContact O-CG 3.41Å; L893-L897 PolarHBondContact O-N 3.28Å; L893-A909 HydrophobicContact CD1-CB 3.94Å; L893-L912 HydrophobicContact CB-CB 4.33Å; L893-L912 HydrophobicContact CB-CD1 3.97Å; L893-L912 HydrophobicContact CD1-CB 4.37Å; L893-L912 HydrophobicContact CD1-CD1 4.13Å; L893-V913 HydrophobicContact CD2-CG2 3.63Å; L893-L916 HydrophobicContact CD2-CD1 4.11Å; L893-W936 HydrophobicContact CD2-CH2 4.16Å; L893-F951 HydrophobicContact CD1-CE2 4.12Å; L893-F951 HydrophobicContact CD1-CZ 4.47Å
894F86.4Confident80.7Confident92 Ų9265.9 Ų65.940%0.40433%0.331SS..Hα-helixtrans-63.6-40.9176.9-172.8-96.2000112.5Q890 R891 Q896 L897 S898Q890-F894 WeakPolarHBondContact O-CB 3.5Å; Q890-F894 PolarHBondContact O-N 3.05Å; R891-F894 PolarHBondContact O-N 3.01Å; F894-Q896 PolarHBondContact O-N 2.89Å; F894-L897 PolarHBondContact O-N 3.43Å; F894-S898 VanDerWaalsContact CE1-OG 3.29Å; F894-S898 WeakPolarHBondContact CE1-OG 3.46Å; F894-S898 WeakPolarHBondContact O-CB 3.22Å; F894-S898 PolarHBondContact O-N 3.25Å; F894-S898 PolarHBondContact O-OG 2.94Å
895T85.6Confident80.4Confident88 Ų8863 Ų6354%0.5432%0.32SS..Hα-helixtrans-58-36.8172.3-57.20000111.6R891 L893 G899R891-T895 PolarHBondContact O-N 3.31Å; R891-T895 PolarHBondContact O-OG1 3.45Å; R891-T895 VanDerWaalsContact O-OG1 3.06Å; L893-T895 PolarHBondContact O-N 3.36Å; T895-G899 PolarHBondContact O-N 3.3Å
896Q80.8Confident80.3Confident23 Ų2364.5 Ų64.511%0.10733%0.332CS..Hα-helixtrans-72.4-34.5176.5-79.7-69.9-82.600114.6R823 A892 L893 F894 S898R823-Q896 VanDerWaalsContact CZ-OE1 3.24Å; R823-Q896 VanDerWaalsContact NH1-NE2 3.1Å; R823-Q896 VanDerWaalsContact NH2-CG 3.34Å; A892-Q896 PolarHBondContact O-N 2.92Å; L893-Q896 WeakPolarHBondContact O-CB 3.35Å; L893-Q896 PolarHBondContact O-N 3.23Å; L893-Q896 VanDerWaalsContact O-N 3.12Å; F894-Q896 PolarHBondContact O-N 2.89Å; Q896-S898 VanDerWaalsContact C-N 3.31Å
897L82.1Confident80.1Confident16 Ų1670.5 Ų70.58%0.08435%0.354CS..Hα-helixtrans-82.5-12.2177.7-61167.8000112.6L893 F894 F904 I940 T944 F946 F951L893-L897 HydrophobicContact CD1-CD1 4.02Å; L893-L897 HydrophobicContact CD1-CG 4.14Å; L893-L897 HydrophobicContact CD2-CD1 4.45Å; L893-L897 HydrophobicContact CG-CD1 3.78Å; L893-L897 HydrophobicContact CG-CG 4.35Å; L893-L897 VanDerWaalsContact O-CG 3.29Å; L893-L897 WeakPolarHBondContact O-CG 3.41Å; L893-L897 PolarHBondContact O-N 3.28Å; F894-L897 PolarHBondContact O-N 3.43Å; L897-F904 HydrophobicContact CD2-CD2 4.5Å; L897-F904 HydrophobicContact CD2-CE2 3.88Å; L897-I940 HydrophobicContact CD1-CD1 4.16Å; L897-I940 HydrophobicContact CD1-CG2 3.8Å; L897-T944 HydrophobicContact CB-CG2 4.22Å; L897-T944 HydrophobicContact CD1-CG2 4.28Å; L897-F946 HydrophobicContact CB-CE2 4.03Å; L897-F946 HydrophobicContact CB-CZ 4.31Å; L897-F946 HydrophobicContact CD2-CD2 3.78Å; L897-F946 HydrophobicContact CD2-CE2 3.34Å; L897-F946 HydrophobicContact CD2-CZ 3.87Å; L897-F946 HydrophobicContact CG-CE2 4.27Å; L897-F951 HydrophobicContact CD1-CZ 4.16Å; L897-F951 HydrophobicContact CD2-CE1 3.75Å; L897-F951 HydrophobicContact CD2-CZ 3.61Å; L897-F951 HydrophobicContact CG-CZ 4.47Å
898S80.6Confident79.9Confident76 Ų7664.3 Ų64.353%0.53133%0.331SS..SBendtrans-96.1-6.3175.7-53.30000113.7F894 Q896F894-S898 VanDerWaalsContact CE1-OG 3.29Å; F894-S898 WeakPolarHBondContact CE1-OG 3.46Å; F894-S898 WeakPolarHBondContact O-CB 3.22Å; F894-S898 PolarHBondContact O-N 3.25Å; F894-S898 PolarHBondContact O-OG 2.94Å; Q896-S898 VanDerWaalsContact C-N 3.31Å
899G69.8Low79.9Confident30 Ų3061.6 Ų61.631%0.30932%0.318SS..SBendtrans-75.7170.3173.200000112.3T895T895-G899 PolarHBondContact O-N 3.3Å
900G63.6Low79.8Confident40 Ų4063.3 Ų63.341%0.41233%0.327SS..  trans-68.2161.7172.900000111.8E902 D903G900-E902 PolarHBondContact O-N 2.89Å; G900-E902 VanDerWaalsContact O-N 3.12Å; G900-D903 PolarHBondContact N-OD2 3.3Å; G900-D903 PolarHBondContact O-N 2.89Å
901E61.2Low79.7Confident157 Ų15763 Ų6373%0.73433%0.325SS*.G310 helixtrans-57.9-27.3177.5-68.3-168.2150.400113D903E901-D903 VanDerWaalsContact C-N 3.34Å
902E59.6Low79.9Confident198 Ų19853.7 Ų53.793%0.92529%0.29SS*.G310 helixtrans-71.4-24.2176.6-59-167152.400113.3G900G900-E902 PolarHBondContact O-N 2.89Å; G900-E902 VanDerWaalsContact O-N 3.12Å
903D63.3Low80Confident105 Ų10552.8 Ų52.856%0.56128%0.282SS*.G310 helixtrans-91.2-7-179.7-60.4-47.2000113.4G900 E901 N905G900-D903 PolarHBondContact N-OD2 3.3Å; G900-D903 PolarHBondContact O-N 2.89Å; E901-D903 VanDerWaalsContact C-N 3.34Å; D903-N905 PolarHBondContact O-N 3.21Å
904F76.4Confident80.2Confident38 Ų3855 Ų5517%0.16730%0.298CS..  trans-76.8110.4-170.2178.1-103.1000113.2L897 S906 A909 F946 D948 F951L897-F904 HydrophobicContact CD2-CD2 4.5Å; L897-F904 HydrophobicContact CD2-CE2 3.88Å; F904-S906 PolarHBondContact O-N 3.04Å; F904-A909 HydrophobicContact CE2-CB 3.83Å; F904-A909 HydrophobicContact CZ-CB 3.9Å; F904-F946 HydrophobicContact CB-CE1 4.33Å; F904-F946 HydrophobicContact CD1-CD1 4.33Å; F904-F946 HydrophobicContact CD2-CD1 4.13Å; F904-F946 AromaticContact CD2-CE1 3.81Å; F904-F946 HydrophobicContact CD2-CE1 3.81Å; F904-F946 HydrophobicContact CD2-CZ 4.32Å; F904-F946 HydrophobicContact CE1-CD1 4.47Å; F904-F946 HydrophobicContact CE2-CD1 4.3Å; F904-F946 HydrophobicContact CE2-CE1 4.29Å; F904-F946 HydrophobicContact CG-CD1 4.15Å; F904-F946 AromaticContact CG-CE1 3.99Å; F904-F946 HydrophobicContact CG-CE1 3.99Å; F904-F946 HydrophobicContact CZ-CD1 4.47Å; F904-D948 HydrophobicContact CE1-CB 4.26Å; F904-F951 HydrophobicContact CZ-CB 4.3Å; F904-F951 HydrophobicContact CZ-CD1 4.09Å; F904-F951 HydrophobicContact CZ-CD2 4.49Å; F904-F951 HydrophobicContact CZ-CG 4.03Å
905N80.8Confident80.5Confident37 Ų3750.7 Ų50.720%0.19828%0.279CS..  trans-93.191.9176.2-163.9-51.3000112.3Q839 D903 R907 E908 A909Q839-N905 VanDerWaalsContact NE2-CG 3.33Å; Q839-N905 PolarHBondContact NE2-ND2 3.38Å; Q839-N905 PolarHBondContact NE2-OD1 3.48Å; D903-N905 PolarHBondContact O-N 3.21Å; N905-R907 VanDerWaalsContact C-N 3.31Å; N905-R907 PolarHBondContact O-N 2.88Å; N905-R907 PolarHBondContact OD1-N 3.08Å; N905-E908 HydrophobicContact CB-CB 3.92Å; N905-E908 PolarHBondContact O-N 3.28Å; N905-E908 WeakPolarHBondContact OD1-CB 3.28Å; N905-E908 PolarHBondContact OD1-N 3.27Å; N905-E908 VanDerWaalsContact OD1-N 3.07Å; N905-A909 PolarHBondContact O-N 3.21Å
906S82.9Confident80.8Confident39 Ų3946.5 Ų46.527%0.27325%0.253SS..Hα-helixtrans-47.1-46178.1159.50000114F904 E908 Q910 D948F904-S906 PolarHBondContact O-N 3.04Å; S906-E908 PolarHBondContact O-N 3.25Å; S906-Q910 WeakPolarHBondContact O-CG 3.45Å; S906-Q910 PolarHBondContact O-N 3.12Å; S906-Q910 PolarHBondContact O-NE2 3.06Å; S906-Q910 PolarHBondContact OG-NE2 2.85Å; S906-D948 WeakPolarHBondContact CB-OD2 3.49Å; S906-D948 PolarHBondContact OG-OD2 2.96Å
907R84.1Confident81.3Confident126 Ų12646.5 Ų46.548%0.47526%0.255SS..Hα-helixtrans-67.9-37.7-179.3-177.757.8-179.3-179.94.4112.2N905 L911N905-R907 VanDerWaalsContact C-N 3.31Å; N905-R907 PolarHBondContact O-N 2.88Å; N905-R907 PolarHBondContact OD1-N 3.08Å; R907-L911 WeakPolarHBondContact O-CG 3.33Å; R907-L911 PolarHBondContact O-N 2.94Å; R907-L911 VanDerWaalsContact O-N 3.14Å
908E86.2Confident81.6Confident0 Ų046.2 Ų46.20%025%0.254CS..Hα-helixtrans-73.5-40.6-179.8-150.217413300111.6Y818 R823 Q839 L842 N905 S906 Q910 L911 L912Y818-E908 VanDerWaalsContact CE2-OE1 3.31Å; Y818-E908 WeakPolarHBondContact CE2-OE1 3.42Å; Y818-E908 PolarHBondContact OH-OE1 3.18Å; R823-E908 IonicContact CZ-OE1 3.43Å; R823-E908 IonicContact CZ-OE2 2.95Å; R823-E908 IonicContact NE-OE1 2.78Å; R823-E908 PolarHBondContact NE-OE1 3.09Å; R823-E908 IonicContact NE-OE2 3.85Å; R823-E908 PolarHBondContact NE-OE2 2.97Å; R823-E908 VanDerWaalsContact NE-OE2 3.13Å; R823-E908 IonicContact NH1-OE2 2.65Å; R823-E908 IonicContact NH2-OE1 3Å; R823-E908 PolarHBondContact NH2-OE1 3.43Å; R823-E908 IonicContact NH2-OE2 2.96Å; R823-E908 PolarHBondContact NH2-OE2 3.43Å; Q839-E908 HydrophobicContact CG-CB 4.19Å; Q839-E908 HydrophobicContact CG-CG 4.2Å; L842-E908 HydrophobicContact CD1-CG 3.47Å; L842-E908 VanDerWaalsContact CD1-CG 3.47Å; N905-E908 HydrophobicContact CB-CB 3.92Å; N905-E908 PolarHBondContact O-N 3.28Å; N905-E908 WeakPolarHBondContact OD1-CB 3.28Å; N905-E908 PolarHBondContact OD1-N 3.27Å; N905-E908 VanDerWaalsContact OD1-N 3.07Å; S906-E908 PolarHBondContact O-N 3.25Å; E908-Q910 VanDerWaalsContact C-N 3.31Å; E908-Q910 PolarHBondContact O-N 3.34Å; E908-L911 PolarHBondContact O-N 3.49Å; E908-L911 VanDerWaalsContact O-N 3.14Å; E908-L912 WeakPolarHBondContact O-CG 3.38Å; E908-L912 PolarHBondContact O-N 3.36Å
909A87.6Confident81.9Confident0 Ų042.6 Ų42.60%023%0.228CC..Hα-helixtrans-59.8-39.9172.400000112L893 F904 N905 L912 V913 F951L893-A909 HydrophobicContact CD1-CB 3.94Å; F904-A909 HydrophobicContact CE2-CB 3.83Å; F904-A909 HydrophobicContact CZ-CB 3.9Å; N905-A909 PolarHBondContact O-N 3.21Å; A909-L912 PolarHBondContact O-N 2.83Å; A909-V913 WeakPolarHBondContact O-CG2 3.4Å; A909-V913 PolarHBondContact O-N 2.84Å; A909-F951 HydrophobicContact CB-CD2 3.6Å; A909-F951 HydrophobicContact CB-CE2 3.75Å; A909-F951 HydrophobicContact CB-CG 4.42Å
910Q89.1Confident82.8Confident37 Ų3741.3 Ų41.317%0.17322%0.215CC..Hα-helixtrans-63.3-39.5173.1-71.5163.22400113.1S906 E908 S914 D948 A950 F951S906-Q910 WeakPolarHBondContact O-CG 3.45Å; S906-Q910 PolarHBondContact O-N 3.12Å; S906-Q910 PolarHBondContact O-NE2 3.06Å; S906-Q910 PolarHBondContact OG-NE2 2.85Å; E908-Q910 VanDerWaalsContact C-N 3.31Å; E908-Q910 PolarHBondContact O-N 3.34Å; Q910-S914 WeakPolarHBondContact O-CB 3.42Å; Q910-S914 PolarHBondContact O-N 2.94Å; Q910-S914 PolarHBondContact O-OG 3.31Å; Q910-D948 PolarHBondContact NE2-OD2 3.12Å; Q910-D948 VanDerWaalsContact NE2-OD2 3.14Å; Q910-A950 VanDerWaalsContact NE2-CB 3.27Å; Q910-F951 HydrophobicContact CG-CB 4.41Å
911L89.4Confident83.8Confident5 Ų546.4 Ų46.43%0.02622%0.222CC..Hα-helixtrans-66.2-43.7175.9-71.4170.6000111.3L842 D843 L846 R907 E908 S914 I915L842-L911 HydrophobicContact CB-CB 4.03Å; L842-L911 HydrophobicContact CB-CD1 4.01Å; L842-L911 HydrophobicContact CD1-CB 4.22Å; D843-L911 HydrophobicContact CB-CD1 4.23Å; L846-L911 HydrophobicContact CD2-CD2 3.63Å; R907-L911 WeakPolarHBondContact O-CG 3.33Å; R907-L911 PolarHBondContact O-N 2.94Å; R907-L911 VanDerWaalsContact O-N 3.14Å; E908-L911 PolarHBondContact O-N 3.49Å; E908-L911 VanDerWaalsContact O-N 3.14Å; L911-S914 WeakPolarHBondContact O-CB 3.3Å; L911-S914 PolarHBondContact O-N 2.9Å; L911-S914 VanDerWaalsContact O-N 3.15Å; L911-I915 WeakPolarHBondContact O-CG1 3.46Å; L911-I915 PolarHBondContact O-N 2.87Å
912L91.4Very high84.8Confident0 Ų041.6 Ų41.60%020%0.199CC..Hα-helixtrans-59.8-46.9175.3-70172000112.2Y818 L842 F889 A892 L893 E908 A909 S914 I915 L916Y818-L912 HydrophobicContact CE1-CD2 4.29Å; L842-L912 HydrophobicContact CD1-CD2 3.67Å; L842-L912 HydrophobicContact CD1-CG 3.72Å; L842-L912 HydrophobicContact CD2-CD2 4.03Å; F889-L912 HydrophobicContact CD1-CD2 3.78Å; A892-L912 HydrophobicContact CB-CD1 4.45Å; A892-L912 HydrophobicContact CB-CD2 4.39Å; L893-L912 HydrophobicContact CB-CB 4.33Å; L893-L912 HydrophobicContact CB-CD1 3.97Å; L893-L912 HydrophobicContact CD1-CB 4.37Å; L893-L912 HydrophobicContact CD1-CD1 4.13Å; E908-L912 WeakPolarHBondContact O-CG 3.38Å; E908-L912 PolarHBondContact O-N 3.36Å; A909-L912 PolarHBondContact O-N 2.83Å; L912-S914 VanDerWaalsContact C-N 3.27Å; L912-S914 PolarHBondContact O-N 2.9Å; L912-I915 PolarHBondContact O-N 3.36Å; L912-L916 WeakPolarHBondContact O-CB 3.46Å; L912-L916 WeakPolarHBondContact O-CG 3.35Å; L912-L916 PolarHBondContact O-N 3.19Å
913V91.4Very high85.9Confident2 Ų232.5 Ų32.51%0.01216%0.157CC..Hα-helixtrans-61.7-36.2175172.40000111.6L893 A909 T917 F951 G954 L958L893-V913 HydrophobicContact CD2-CG2 3.63Å; A909-V913 WeakPolarHBondContact O-CG2 3.4Å; A909-V913 PolarHBondContact O-N 2.84Å; V913-T917 WeakPolarHBondContact O-CB 3.47Å; V913-T917 PolarHBondContact O-N 3.43Å; V913-T917 PolarHBondContact O-OG1 2.95Å; V913-F951 HydrophobicContact CG2-CD2 4.33Å; V913-F951 HydrophobicContact CG2-CE2 3.72Å; V913-G954 WeakPolarHBondContact CG1-O 3.43Å; V913-L958 HydrophobicContact CG1-CB 4.19Å; V913-L958 HydrophobicContact CG1-CD2 4.16Å
914S92Very high86.8Confident47 Ų4734 Ų3433%0.32916%0.158SC..Hα-helixtrans-67.1-42.7176.3-57.70000112Q910 L911 L912 T917 V918Q910-S914 WeakPolarHBondContact O-CB 3.42Å; Q910-S914 PolarHBondContact O-N 2.94Å; Q910-S914 PolarHBondContact O-OG 3.31Å; L911-S914 WeakPolarHBondContact O-CB 3.3Å; L911-S914 PolarHBondContact O-N 2.9Å; L911-S914 VanDerWaalsContact O-N 3.15Å; L912-S914 VanDerWaalsContact C-N 3.27Å; L912-S914 PolarHBondContact O-N 2.9Å; S914-T917 WeakPolarHBondContact O-CB 3.29Å; S914-T917 PolarHBondContact O-N 2.88Å; S914-V918 WeakPolarHBondContact O-CG2 3.45Å; S914-V918 PolarHBondContact O-N 3.49Å
915I91.8Very high87.1Confident0 Ų034.8 Ų34.80%017%0.168CC..Hα-helixtrans-61.5-48.4174.6-69.1167.2000110.2L842 L845 L846 F849 F889 L911 L912 T917 V918 L919L842-I915 HydrophobicContact CB-CD1 4.37Å; L842-I915 HydrophobicContact CD2-CD1 3.93Å; L845-I915 HydrophobicContact CB-CD1 4.32Å; L846-I915 HydrophobicContact CB-CD1 4.36Å; L846-I915 HydrophobicContact CB-CG1 3.84Å; L846-I915 HydrophobicContact CD1-CG1 3.94Å; L846-I915 HydrophobicContact CG-CG1 4.45Å; F849-I915 HydrophobicContact CD2-CG1 4.48Å; F849-I915 HydrophobicContact CD2-CG2 3.93Å; F849-I915 HydrophobicContact CE2-CG2 3.9Å; F889-I915 HydrophobicContact CD1-CG2 4.25Å; F889-I915 HydrophobicContact CD2-CG2 3.68Å; F889-I915 HydrophobicContact CE1-CD1 4.18Å; F889-I915 HydrophobicContact CE1-CG2 4.25Å; F889-I915 HydrophobicContact CE2-CG2 3.69Å; F889-I915 HydrophobicContact CG-CG2 3.99Å; F889-I915 HydrophobicContact CZ-CG2 3.97Å; L911-I915 WeakPolarHBondContact O-CG1 3.46Å; L911-I915 PolarHBondContact O-N 2.87Å; L912-I915 PolarHBondContact O-N 3.36Å; I915-T917 PolarHBondContact O-N 3.17Å; I915-V918 PolarHBondContact O-N 3.42Å; I915-L919 HydrophobicContact CG2-CD1 3.83Å; I915-L919 HydrophobicContact CG2-CG 4.27Å; I915-L919 WeakPolarHBondContact O-CG 3.35Å; I915-L919 PolarHBondContact O-N 3.22Å
916L92.6Very high87Confident0 Ų038.5 Ų38.50%020%0.196CC..Hα-helixtrans-56.8-38.3175.5-72.2169.4000112I886 F889 Q890 L893 L912 S920 M933 W936 L958I886-L916 HydrophobicContact CG2-CD2 3.98Å; F889-L916 HydrophobicContact CB-CD2 3.89Å; F889-L916 HydrophobicContact CB-CG 4.19Å; Q890-L916 HydrophobicContact CG-CD2 3.91Å; L893-L916 HydrophobicContact CD2-CD1 4.11Å; L912-L916 WeakPolarHBondContact O-CB 3.46Å; L912-L916 WeakPolarHBondContact O-CG 3.35Å; L912-L916 PolarHBondContact O-N 3.19Å; L916-S920 WeakPolarHBondContact O-CB 3.44Å; L916-S920 PolarHBondContact O-N 3.15Å; L916-S920 PolarHBondContact O-OG 3.08Å; L916-M933 HydrophobicContact CB-CE 4.08Å; L916-M933 HydrophobicContact CD2-CE 4.32Å; L916-W936 HydrophobicContact CD1-CH2 3.72Å; L916-W936 HydrophobicContact CD1-CZ3 4.01Å; L916-L958 HydrophobicContact CB-CD2 4.12Å
917T90.6Very high87.2Confident23 Ų2337.5 Ų37.514%0.14119%0.189CC..Hα-helixtrans-67.4-32.8175.7-53.90000113.1V913 S914 I915 S920 R921V913-T917 WeakPolarHBondContact O-CB 3.47Å; V913-T917 PolarHBondContact O-N 3.43Å; V913-T917 PolarHBondContact O-OG1 2.95Å; S914-T917 WeakPolarHBondContact O-CB 3.29Å; S914-T917 PolarHBondContact O-N 2.88Å; I915-T917 PolarHBondContact O-N 3.17Å; T917-S920 PolarHBondContact O-OG 3.12Å; T917-R921 WeakPolarHBondContact O-CG 3.16Å
918V88.7Confident87.4Confident10 Ų1039.5 Ų39.56%0.06120%0.201CC..Hα-helixtrans-75.3-45.8177.31710000111.1L846 F849 Q853 S914 I915L846-V918 HydrophobicContact CD1-CG2 4.11Å; F849-V918 HydrophobicContact CB-CG1 3.79Å; Q853-V918 HydrophobicContact CB-CG1 4.44Å; Q853-V918 PolarHBondContact NE2-O 3.29Å; Q853-V918 VanDerWaalsContact NE2-O 3.08Å; S914-V918 WeakPolarHBondContact O-CG2 3.45Å; S914-V918 PolarHBondContact O-N 3.49Å; I915-V918 PolarHBondContact O-N 3.42Å
919L88.2Confident87.5Confident0 Ų040.8 Ų40.80%021%0.207CC..Hα-helixtrans-70.4-39.3-178.9-64.5178.2000112.5F849 N882 I886 F889 I915 R921 Q922F849-L919 HydrophobicContact CD1-CD2 4.15Å; F849-L919 HydrophobicContact CE1-CD2 4.38Å; F849-L919 HydrophobicContact CG-CD2 4.23Å; N882-L919 PolarHBondContact ND2-O 3.36Å; N882-L919 VanDerWaalsContact ND2-O 3.17Å; I886-L919 HydrophobicContact CD1-CB 3.93Å; I886-L919 HydrophobicContact CG1-CB 3.65Å; I886-L919 HydrophobicContact CG1-CD1 4.08Å; F889-L919 HydrophobicContact CD2-CD1 3.81Å; F889-L919 HydrophobicContact CE2-CD1 3.92Å; I915-L919 HydrophobicContact CG2-CD1 3.83Å; I915-L919 HydrophobicContact CG2-CG 4.27Å; I915-L919 WeakPolarHBondContact O-CG 3.35Å; I915-L919 PolarHBondContact O-N 3.22Å; L919-R921 PolarHBondContact O-N 3.38Å; L919-Q922 WeakPolarHBondContact O-CB 3.03Å; L919-Q922 PolarHBondContact O-N 3.05Å; L919-Q922 VanDerWaalsContact O-N 3.08Å
920S88.6Confident87.5Confident4 Ų440.9 Ų40.93%0.02821%0.208CC..Hα-helixtrans-65.6-24.4-178.369.20000113.8L916 T917 Q922 L923L916-S920 WeakPolarHBondContact O-CB 3.44Å; L916-S920 PolarHBondContact O-N 3.15Å; L916-S920 PolarHBondContact O-OG 3.08Å; T917-S920 PolarHBondContact O-OG 3.12Å; S920-Q922 PolarHBondContact O-N 3.12Å; S920-L923 WeakPolarHBondContact O-CB 3.26Å; S920-L923 PolarHBondContact O-N 3.39Å
921R84Confident87.6Confident146 Ų14641.7 Ų41.755%0.55122%0.215SC*.THydrogen-bonded Turntrans-65.9-16.9173.8-73.6171-178.2172.92.4114.2T917 L919T917-R921 WeakPolarHBondContact O-CG 3.16Å; L919-R921 PolarHBondContact O-N 3.38Å
922Q81.5Confident87.6Confident57 Ų5745.2 Ų45.227%0.26623%0.232SC..THydrogen-bonded Turntrans-89.2-13.4178.7-51.7171.823.600111.9M860 L919 S920M860-Q922 VanDerWaalsContact CG-CD 3.49Å; M860-Q922 PolarHBondContact SD-NE2 3.43Å; L919-Q922 WeakPolarHBondContact O-CB 3.03Å; L919-Q922 PolarHBondContact O-N 3.05Å; L919-Q922 VanDerWaalsContact O-N 3.08Å; S920-Q922 PolarHBondContact O-N 3.12Å
923L84.4Confident87.6Confident6 Ų645.2 Ų45.23%0.03123%0.232CC..SBendtrans-75.4128.4175.7-60.3178.1000109.7Y883 I886 S920 Q929 F930 M933Y883-L923 HydrophobicContact CD2-CD1 4.49Å; I886-L923 HydrophobicContact CD1-CD1 3.73Å; I886-L923 HydrophobicContact CD1-CD2 4.22Å; I886-L923 HydrophobicContact CD1-CG 4.02Å; S920-L923 WeakPolarHBondContact O-CB 3.26Å; S920-L923 PolarHBondContact O-N 3.39Å; L923-Q929 HydrophobicContact CD2-CB 4.08Å; L923-F930 HydrophobicContact CB-CB 4.23Å; L923-F930 HydrophobicContact CB-CD2 4.01Å; L923-M933 HydrophobicContact CD1-CB 4.17Å
924K82.3Confident87.6Confident136 Ų13645.3 Ų45.359%0.59123%0.232SC*.  trans-61.5129.3172.9-65.1172.3-177.4166.80109.1S926 S927 F930K924-S926 PolarHBondContact O-N 3.37Å; K924-S926 VanDerWaalsContact O-N 3.08Å; K924-S927 WeakPolarHBondContact O-CB 3.46Å; K924-S927 PolarHBondContact O-N 3.29Å; K924-S927 PolarHBondContact O-OG 3.47Å; K924-F930 WeakPolarHBondContact O-CB 3.48Å
925P81.7Confident87.6Confident56 Ų5647.3 Ų47.336%0.36424%0.242SC..THydrogen-bonded Turntrans-58.9-24.5-177.2-28.836.3000115.3S927 F930 L965P925-S927 VanDerWaalsContact C-N 3.35Å; P925-F930 HydrophobicContact CB-CE1 4.48Å; P925-F930 WeakPolarHBondContact O-CD1 3.36Å; P925-L965 HydrophobicContact CB-CB 4.44Å; P925-L965 HydrophobicContact CG-CB 4.45Å; P925-L965 HydrophobicContact CG-CD1 4.49Å
926S79.2Confident87.7Confident115 Ų11549.4 Ų49.480%0.80425%0.25SS*.THydrogen-bonded Turntrans-81.7-4.917551.20000114.8K924K924-S926 PolarHBondContact O-N 3.37Å; K924-S926 VanDerWaalsContact O-N 3.08Å
927S86.4Confident87.7Confident18 Ų1849.4 Ų49.413%0.12625%0.25CS..SBendtrans-79.5151.6-17569.30000113.4K924 P925 Q929 F930 V931K924-S927 WeakPolarHBondContact O-CB 3.46Å; K924-S927 PolarHBondContact O-N 3.29Å; K924-S927 PolarHBondContact O-OG 3.47Å; P925-S927 VanDerWaalsContact C-N 3.35Å; S927-Q929 PolarHBondContact O-N 3.18Å; S927-F930 PolarHBondContact O-N 3.29Å; S927-F930 WeakPolarHBondContact OG-CB 3.26Å; S927-F930 PolarHBondContact OG-N 3.23Å; S927-F930 VanDerWaalsContact OG-N 3.14Å; S927-V931 PolarHBondContact O-N 2.92Å
928K87.9Confident87.8Confident167 Ų16750.2 Ų50.273%0.72626%0.255SS*.Hα-helixtrans-62.3-35.5174.3-65.3177.2-176.8170.60111.3V931 Q932K928-V931 PolarHBondContact O-N 3.4Å; K928-Q932 WeakPolarHBondContact O-CG 3.41Å; K928-Q932 PolarHBondContact O-N 3.37Å
929Q87.9Confident87.9Confident27 Ų2755 Ų5513%0.12628%0.275CS..Hα-helixtrans-61-44.4178.4-64.679.7-7.400110.9E880 Y883 L923 S927 V931 Q932 M933E880-Q929 PolarHBondContact OE1-NE2 3.39Å; Y883-Q929 HydrophobicContact CD1-CB 4.01Å; Y883-Q929 HydrophobicContact CD1-CG 3.63Å; Y883-Q929 HydrophobicContact CD2-CB 3.93Å; Y883-Q929 HydrophobicContact CD2-CG 4.41Å; Y883-Q929 HydrophobicContact CE1-CG 4.41Å; Y883-Q929 HydrophobicContact CG-CB 3.69Å; Y883-Q929 HydrophobicContact CG-CG 3.65Å; L923-Q929 HydrophobicContact CD2-CB 4.08Å; S927-Q929 PolarHBondContact O-N 3.18Å; Q929-V931 PolarHBondContact O-N 3.2Å; Q929-Q932 PolarHBondContact O-N 3.44Å; Q929-M933 PolarHBondContact O-N 3.23Å
930F88.8Confident88Confident3 Ų355.1 Ų55.11%0.01328%0.276CS..Hα-helixtrans-61.6-43.6174.8-172.2-98.5000112.3L923 K924 P925 S927 Q932 M933 I934 L962 L965L923-F930 HydrophobicContact CB-CB 4.23Å; L923-F930 HydrophobicContact CB-CD2 4.01Å; K924-F930 WeakPolarHBondContact O-CB 3.48Å; P925-F930 HydrophobicContact CB-CE1 4.48Å; P925-F930 WeakPolarHBondContact O-CD1 3.36Å; S927-F930 PolarHBondContact O-N 3.29Å; S927-F930 WeakPolarHBondContact OG-CB 3.26Å; S927-F930 PolarHBondContact OG-N 3.23Å; S927-F930 VanDerWaalsContact OG-N 3.14Å; F930-Q932 VanDerWaalsContact C-N 3.33Å; F930-Q932 PolarHBondContact O-N 3.04Å; F930-M933 PolarHBondContact O-N 3.15Å; F930-I934 PolarHBondContact O-N 3.41Å; F930-L962 HydrophobicContact CD2-CD2 4.34Å; F930-L962 HydrophobicContact CE2-CD2 3.53Å; F930-L962 HydrophobicContact CZ-CB 4.28Å; F930-L962 HydrophobicContact CZ-CD2 3.94Å; F930-L962 WeakPolarHBondContact CZ-O 3.31Å; F930-L965 HydrophobicContact CE1-CB 4.31Å; F930-L965 HydrophobicContact CZ-CB 3.82Å; F930-L965 HydrophobicContact CZ-CD1 4.45Å
931V90.2Very high88Confident53 Ų5355 Ų5532%0.32127%0.274SS..Hα-helixtrans-62.6-37.9176.6-178.90000111.9S927 K928 Q929 I934 T935 Y966S927-V931 PolarHBondContact O-N 2.92Å; K928-V931 PolarHBondContact O-N 3.4Å; Q929-V931 PolarHBondContact O-N 3.2Å; V931-I934 WeakPolarHBondContact O-CG2 3.4Å; V931-T935 VanDerWaalsContact O-CB 3.32Å; V931-T935 WeakPolarHBondContact O-CB 3.35Å; V931-T935 PolarHBondContact O-N 3.24Å; V931-T935 VanDerWaalsContact O-N 3.07Å; V931-T935 PolarHBondContact O-OG1 2.85Å; V931-Y966 HydrophobicContact CG2-CE2 4.08Å
932Q90.2Very high88.2Confident80 Ų8052 Ų5237%0.37427%0.266SS..Hα-helixtrans-67.6-42.1174.5-68.1179.729.200111.8Y883 K928 Q929 F930 T935 W936Y883-Q932 VanDerWaalsContact CE1-OE1 3.32Å; Y883-Q932 HydrophobicContact CE2-CB 4.39Å; Y883-Q932 VanDerWaalsContact OH-CB 3.24Å; Y883-Q932 WeakPolarHBondContact OH-CB 3.3Å; Y883-Q932 PolarHBondContact OH-OE1 2.95Å; K928-Q932 WeakPolarHBondContact O-CG 3.41Å; K928-Q932 PolarHBondContact O-N 3.37Å; Q929-Q932 PolarHBondContact O-N 3.44Å; F930-Q932 VanDerWaalsContact C-N 3.33Å; F930-Q932 PolarHBondContact O-N 3.04Å; Q932-T935 PolarHBondContact O-N 3.24Å; Q932-W936 WeakPolarHBondContact O-CB 3.47Å; Q932-W936 PolarHBondContact O-N 3.03Å
933M92Very high88.5Confident0 Ų054.7 Ų54.70%028%0.278CS..Hα-helixtrans-59.8-47.1177.3178.558.9-167.800112.5I886 Q890 L916 L923 Q929 F930 W936 T937 L958 L962I886-M933 HydrophobicContact CG2-SD 3.68Å; Q890-M933 PolarHBondContact NE2-SD 3.42Å; L916-M933 HydrophobicContact CB-CE 4.08Å; L916-M933 HydrophobicContact CD2-CE 4.32Å; L923-M933 HydrophobicContact CD1-CB 4.17Å; Q929-M933 PolarHBondContact O-N 3.23Å; F930-M933 PolarHBondContact O-N 3.15Å; M933-W936 HydrophobicContact CE-CE3 4.41Å; M933-W936 HydrophobicContact CE-CZ3 4.22Å; M933-W936 HydrophobicContact SD-CE3 4.26Å; M933-T937 WeakPolarHBondContact O-CB 3.33Å; M933-T937 PolarHBondContact O-N 3.05Å; M933-T937 PolarHBondContact O-OG1 3.5Å; M933-L958 HydrophobicContact CE-CD1 4.07Å; M933-L958 HydrophobicContact CE-CD2 3.85Å; M933-L958 HydrophobicContact CE-CG 4.34Å; M933-L962 HydrophobicContact CE-CD1 4.08Å; M933-L962 HydrophobicContact CG-CD1 3.86Å; M933-L962 HydrophobicContact CG-CD2 4.4Å
934I91.6Very high88.3Confident4 Ų455.1 Ų55.12%0.02128%0.281CS..Hα-helixtrans-68.9-41178-168.5174.4000112.2F930 V931 W936 T937 V938 L962 Q963 Y966F930-I934 PolarHBondContact O-N 3.41Å; V931-I934 WeakPolarHBondContact O-CG2 3.4Å; I934-W936 VanDerWaalsContact C-N 3.31Å; I934-W936 PolarHBondContact O-N 3.12Å; I934-T937 PolarHBondContact O-N 2.86Å; I934-T937 VanDerWaalsContact O-N 3.12Å; I934-V938 HydrophobicContact CG1-CG2 4.4Å; I934-V938 WeakPolarHBondContact O-CG2 3.45Å; I934-V938 PolarHBondContact O-N 3.31Å; I934-L962 HydrophobicContact CB-CB 4.14Å; I934-L962 HydrophobicContact CB-CD1 4.39Å; I934-L962 HydrophobicContact CD1-CB 4Å; I934-L962 HydrophobicContact CG1-CB 3.94Å; I934-Q963 HydrophobicContact CD1-CB 4.28Å; I934-Y966 HydrophobicContact CD1-CD1 3.97Å; I934-Y966 HydrophobicContact CD1-CG 4Å; I934-Y966 HydrophobicContact CG2-CG 4.46Å
935T92.1Very high88.2Confident88 Ų8852.3 Ų52.354%0.5428%0.278SS..Hα-helixtrans-60.5-42.4178.1-56.70000111.4V931 Q932 K939V931-T935 VanDerWaalsContact O-CB 3.32Å; V931-T935 WeakPolarHBondContact O-CB 3.35Å; V931-T935 PolarHBondContact O-N 3.24Å; V931-T935 VanDerWaalsContact O-N 3.07Å; V931-T935 PolarHBondContact O-OG1 2.85Å; Q932-T935 PolarHBondContact O-N 3.24Å; T935-K939 WeakPolarHBondContact O-CB 3.4Å; T935-K939 PolarHBondContact O-N 3.37Å
936W94.1Very high88.1Confident44 Ų4450.7 Ų50.717%0.16727%0.266CS..Hα-helixtrans-64.6-41.8173.6174.191.2000112.4Q890 L893 L916 Q932 M933 I934 V938 K939 I940Q890-W936 VanDerWaalsContact CA-CZ2 3.49Å; Q890-W936 HydrophobicContact CB-CD2 4.32Å; Q890-W936 HydrophobicContact CB-CH2 3.98Å; Q890-W936 HydrophobicContact CB-CZ2 3.42Å; Q890-W936 VanDerWaalsContact CB-CZ2 3.42Å; Q890-W936 HydrophobicContact CG-CD2 3.78Å; Q890-W936 HydrophobicContact CG-CE3 3.87Å; Q890-W936 HydrophobicContact CG-CH2 3.63Å; Q890-W936 HydrophobicContact CG-CZ2 3.5Å; Q890-W936 HydrophobicContact CG-CZ3 3.82Å; L893-W936 HydrophobicContact CD2-CH2 4.16Å; L916-W936 HydrophobicContact CD1-CH2 3.72Å; L916-W936 HydrophobicContact CD1-CZ3 4.01Å; Q932-W936 WeakPolarHBondContact O-CB 3.47Å; Q932-W936 PolarHBondContact O-N 3.03Å; M933-W936 HydrophobicContact CE-CE3 4.41Å; M933-W936 HydrophobicContact CE-CZ3 4.22Å; M933-W936 HydrophobicContact SD-CE3 4.26Å; I934-W936 VanDerWaalsContact C-N 3.31Å; I934-W936 PolarHBondContact O-N 3.12Å; W936-V938 PolarHBondContact O-N 2.94Å; W936-K939 WeakPolarHBondContact O-CB 3.4Å; W936-K939 PolarHBondContact O-N 3.17Å; W936-I940 HydrophobicContact CD2-CD1 4.16Å; W936-I940 VanDerWaalsContact CE2-CD1 3.42Å; W936-I940 HydrophobicContact CH2-CD1 3.66Å; W936-I940 HydrophobicContact CZ2-CD1 3.15Å; W936-I940 HydrophobicContact CZ2-CG1 4.29Å; W936-I940 HydrophobicContact CZ3-CD1 4.33Å; W936-I940 PolarHBondContact O-N 3.21Å
937T92.4Very high88.1Confident0 Ų050.4 Ų50.40%025%0.252CS..Hα-helixtrans-64.1-43.3179.2-53.80000111.3M933 I934 I940 C941 L955 L958 L959 L962M933-T937 WeakPolarHBondContact O-CB 3.33Å; M933-T937 PolarHBondContact O-N 3.05Å; M933-T937 PolarHBondContact O-OG1 3.5Å; I934-T937 PolarHBondContact O-N 2.86Å; I934-T937 VanDerWaalsContact O-N 3.12Å; T937-I940 PolarHBondContact O-N 2.76Å; T937-C941 PolarHBondContact O-N 3.23Å; T937-C941 VanDerWaalsContact O-N 3.12Å; T937-C941 PolarHBondContact O-SG 3.1Å; T937-L955 HydrophobicContact CG2-CD1 4.14Å; T937-L958 HydrophobicContact CG2-CD2 4.34Å; T937-L958 HydrophobicContact CG2-CG 4.15Å; T937-L959 HydrophobicContact CG2-CB 3.98Å; T937-L959 HydrophobicContact CG2-CD1 4.19Å; T937-L962 HydrophobicContact CG2-CD1 4.42Å; T937-L962 WeakPolarHBondContact OG1-CD1 3.23Å
938V91.2Very high88Confident41 Ų4151.4 Ų51.425%0.24826%0.255CS..Hα-helixtrans-59.4-47.6172.6171.70000110.3I934 W936 I940 C941 K942 L959 F999I934-V938 HydrophobicContact CG1-CG2 4.4Å; I934-V938 WeakPolarHBondContact O-CG2 3.45Å; I934-V938 PolarHBondContact O-N 3.31Å; W936-V938 PolarHBondContact O-N 2.94Å; V938-I940 PolarHBondContact O-N 3.31Å; V938-C941 PolarHBondContact O-N 3.43Å; V938-K942 HydrophobicContact CG1-CD 4.29Å; V938-K942 HydrophobicContact CG1-CG 4.42Å; V938-K942 WeakPolarHBondContact O-CG 3.42Å; V938-K942 PolarHBondContact O-N 2.97Å; V938-L959 HydrophobicContact CG2-CD1 3.59Å; V938-F999 HydrophobicContact CG1-CE1 4.44Å
939K91.1Very high87.8Confident110 Ų11045.9 Ų45.948%0.47824%0.238SC..Hα-helixtrans-54.6-49.9179.4-174.9-178.3177.2-172.70111.8T935 W936 C941 K942 E943T935-K939 WeakPolarHBondContact O-CB 3.4Å; T935-K939 PolarHBondContact O-N 3.37Å; W936-K939 WeakPolarHBondContact O-CB 3.4Å; W936-K939 PolarHBondContact O-N 3.17Å; K939-C941 PolarHBondContact O-N 2.93Å; K939-K942 PolarHBondContact O-N 3.42Å; K939-K942 VanDerWaalsContact O-N 3.14Å; K939-E943 WeakPolarHBondContact CE-OE1 3.46Å; K939-E943 WeakPolarHBondContact CE-OE2 3.35Å; K939-E943 HydrophobicContact CG-CG 4.39Å; K939-E943 WeakPolarHBondContact CG-OE1 3.34Å; K939-E943 IonicContact NZ-OE1 3.93Å; K939-E943 IonicContact NZ-OE2 2.64Å; K939-E943 WeakPolarHBondContact O-CB 3.46Å; K939-E943 WeakPolarHBondContact O-CG 3.38Å; K939-E943 PolarHBondContact O-N 2.89Å
940I89.6Confident87.7Confident3 Ų346.8 Ų46.82%0.01525%0.25CS..Hα-helixtrans-61.8-45.2178-66.8-164.7000111.5L897 W936 T937 V938 K942 E943 T944 L955L897-I940 HydrophobicContact CD1-CD1 4.16Å; L897-I940 HydrophobicContact CD1-CG2 3.8Å; W936-I940 HydrophobicContact CD2-CD1 4.16Å; W936-I940 VanDerWaalsContact CE2-CD1 3.42Å; W936-I940 HydrophobicContact CH2-CD1 3.66Å; W936-I940 HydrophobicContact CZ2-CD1 3.15Å; W936-I940 HydrophobicContact CZ2-CG1 4.29Å; W936-I940 HydrophobicContact CZ3-CD1 4.33Å; W936-I940 PolarHBondContact O-N 3.21Å; T937-I940 PolarHBondContact O-N 2.76Å; V938-I940 PolarHBondContact O-N 3.31Å; I940-K942 PolarHBondContact O-N 3.18Å; I940-K942 VanDerWaalsContact O-N 3.13Å; I940-E943 PolarHBondContact O-N 3.46Å; I940-E943 VanDerWaalsContact O-N 3.17Å; I940-T944 HydrophobicContact CG2-CG2 3.8Å; I940-T944 PolarHBondContact O-N 3.19Å; I940-T944 PolarHBondContact O-OG1 2.98Å; I940-L955 HydrophobicContact CG2-CD2 3.72Å
941C89.4Confident87.6Confident0 Ų046.7 Ų46.70%025%0.25CC..Hα-helixtrans-61-25.9178.3-60.80000113.2T937 V938 K939 L959 F999 S1000 I1001T937-C941 PolarHBondContact O-N 3.23Å; T937-C941 VanDerWaalsContact O-N 3.12Å; T937-C941 PolarHBondContact O-SG 3.1Å; V938-C941 PolarHBondContact O-N 3.43Å; K939-C941 PolarHBondContact O-N 2.93Å; C941-L959 HydrophobicContact CB-CD2 4.32Å; C941-F999 HydrophobicContact CB-CD1 3.64Å; C941-F999 HydrophobicContact CB-CE1 4.08Å; C941-F999 WeakPolarHBondContact O-CA 3.34Å; C941-S1000 PolarHBondContact O-N 3.2Å; C941-I1001 HydrophobicContact CB-CG2 4.42Å; C941-I1001 PolarHBondContact O-N 3.27Å
942K88.7Confident87.5Confident85 Ų8544.2 Ų44.237%0.3724%0.235SC..Hα-helixtrans-83.9-35.7175.7-64.7-158.1170.9-1620113.3V938 K939 I940 E975 H998 F999 S1000V938-K942 HydrophobicContact CG1-CD 4.29Å; V938-K942 HydrophobicContact CG1-CG 4.42Å; V938-K942 WeakPolarHBondContact O-CG 3.42Å; V938-K942 PolarHBondContact O-N 2.97Å; K939-K942 PolarHBondContact O-N 3.42Å; K939-K942 VanDerWaalsContact O-N 3.14Å; I940-K942 PolarHBondContact O-N 3.18Å; I940-K942 VanDerWaalsContact O-N 3.13Å; K942-E975 IonicContact NZ-OE2 3.38Å; K942-E975 PolarHBondContact NZ-OE2 3.22Å; K942-H998 WeakPolarHBondContact CD-O 3.45Å; K942-H998 VanDerWaalsContact CG-O 3.28Å; K942-H998 WeakPolarHBondContact CG-O 3.21Å; K942-F999 HydrophobicContact CD-CD1 4.49Å; K942-F999 HydrophobicContact CD-CE1 4.19Å; K942-F999 HydrophobicContact CG-CD1 3.58Å; K942-F999 HydrophobicContact CG-CE1 3.61Å; K942-F999 HydrophobicContact CG-CG 4.37Å; K942-F999 HydrophobicContact CG-CZ 4.4Å; K942-S1000 VanDerWaalsContact C-OG 3.29Å; K942-S1000 WeakPolarHBondContact O-CB 3.49Å; K942-S1000 PolarHBondContact O-OG 3.47Å
943E86.8Confident87.4Confident113 Ų11346.2 Ų46.253%0.52824%0.242SC..Hα-helixtrans-94.2-21.1-173.2-69.1176.2-177.500115K939 I940 S1000K939-E943 WeakPolarHBondContact CE-OE1 3.46Å; K939-E943 WeakPolarHBondContact CE-OE2 3.35Å; K939-E943 HydrophobicContact CG-CG 4.39Å; K939-E943 WeakPolarHBondContact CG-OE1 3.34Å; K939-E943 IonicContact NZ-OE1 3.93Å; K939-E943 IonicContact NZ-OE2 2.64Å; K939-E943 WeakPolarHBondContact O-CB 3.46Å; K939-E943 WeakPolarHBondContact O-CG 3.38Å; K939-E943 PolarHBondContact O-N 2.89Å; I940-E943 PolarHBondContact O-N 3.46Å; I940-E943 VanDerWaalsContact O-N 3.17Å; E943-S1000 VanDerWaalsContact C-OG 3.27Å
944T81.8Confident87.3Confident15 Ų1547.4 Ų47.49%0.09225%0.254CS..  trans-108.3120.2-173.6670000114.6L897 I940 F946 S1000 I1001L897-T944 HydrophobicContact CB-CG2 4.22Å; L897-T944 HydrophobicContact CD1-CG2 4.28Å; I940-T944 HydrophobicContact CG2-CG2 3.8Å; I940-T944 PolarHBondContact O-N 3.19Å; I940-T944 PolarHBondContact O-OG1 2.98Å; T944-F946 HydrophobicContact CG2-CE2 4.42Å; T944-S1000 PolarHBondContact N-OG 3.21Å; T944-S1000 CarbonylContact O-C 3.49Å; T944-S1000 PolarHBondContact O-OG 3.22Å; T944-I1001 VanDerWaalsContact O-CA 3.26Å; T944-I1001 WeakPolarHBondContact O-CA 3.43Å; T944-I1001 PolarHBondContact O-N 3.36Å
945S79.8Confident87.2Confident76 Ų7647.2 Ų47.253%0.53125%0.254SS..  trans-104.4111.2171.156.80000111.2S1000S945-S1000 WeakPolarHBondContact CA-O 3.34Å; S945-S1000 WeakPolarHBondContact CB-O 3.24Å
946F78.8Confident87.1Confident23 Ų2343 Ų4310%0.10123%0.228CC..  trans-132.5145.5175.4-75.3-84.4000111.3L897 F904 T944 N1003 T1006L897-F946 HydrophobicContact CB-CE2 4.03Å; L897-F946 HydrophobicContact CB-CZ 4.31Å; L897-F946 HydrophobicContact CD2-CD2 3.78Å; L897-F946 HydrophobicContact CD2-CE2 3.34Å; L897-F946 HydrophobicContact CD2-CZ 3.87Å; L897-F946 HydrophobicContact CG-CE2 4.27Å; F904-F946 HydrophobicContact CB-CE1 4.33Å; F904-F946 HydrophobicContact CD1-CD1 4.33Å; F904-F946 HydrophobicContact CD2-CD1 4.13Å; F904-F946 AromaticContact CD2-CE1 3.81Å; F904-F946 HydrophobicContact CD2-CE1 3.81Å; F904-F946 HydrophobicContact CD2-CZ 4.32Å; F904-F946 HydrophobicContact CE1-CD1 4.47Å; F904-F946 HydrophobicContact CE2-CD1 4.3Å; F904-F946 HydrophobicContact CE2-CE1 4.29Å; F904-F946 HydrophobicContact CG-CD1 4.15Å; F904-F946 AromaticContact CG-CE1 3.99Å; F904-F946 HydrophobicContact CG-CE1 3.99Å; F904-F946 HydrophobicContact CZ-CD1 4.47Å; T944-F946 HydrophobicContact CG2-CE2 4.42Å; F946-N1003 PolarHBondContact O-ND2 2.92Å; F946-T1006 VanDerWaalsContact O-CG2 3.31Å; F946-T1006 WeakPolarHBondContact O-CG2 3.28Å
947E79.5Confident87Confident108 Ų10843.9 Ų43.951%0.50524%0.241SC..  trans-83.8-7.3-176.1-57.6-162.9135.100114.6S949 K1005E947-S949 PolarHBondContact O-N 3.44Å; E947-S949 VanDerWaalsContact O-N 3.16Å; E947-K1005 HydrophobicContact CB-CD 3.94Å; E947-K1005 VanDerWaalsContact CD-CD 3.45Å; E947-K1005 HydrophobicContact CG-CD 4.04Å; E947-K1005 WeakPolarHBondContact OE1-CD 3.31Å; E947-K1005 WeakPolarHBondContact OE1-CE 3.35Å; E947-K1005 IonicContact OE1-NZ 3.29Å; E947-K1005 PolarHBondContact OE1-NZ 3.13Å; E947-K1005 WeakPolarHBondContact OE2-CD 3.48Å; E947-K1005 IonicContact OE2-NZ 3.62Å; E947-K1005 PolarHBondContact OE2-NZ 3.46Å
948D83.4Confident87Confident39 Ų3943.9 Ų43.921%0.20924%0.241CC..  trans-75.9104.2178.9178.823.5000112.5F904 S906 Q910 A950 F951 C952F904-D948 HydrophobicContact CE1-CB 4.26Å; S906-D948 WeakPolarHBondContact CB-OD2 3.49Å; S906-D948 PolarHBondContact OG-OD2 2.96Å; Q910-D948 PolarHBondContact NE2-OD2 3.12Å; Q910-D948 VanDerWaalsContact NE2-OD2 3.14Å; D948-A950 PolarHBondContact O-N 3.5Å; D948-A950 PolarHBondContact OD1-N 3.18Å; D948-F951 HydrophobicContact CB-CB 4.07Å; D948-F951 PolarHBondContact O-N 3.05Å; D948-F951 WeakPolarHBondContact OD2-CB 3.3Å; D948-F951 PolarHBondContact OD2-N 3.05Å; D948-C952 WeakPolarHBondContact O-CB 3.36Å; D948-C952 PolarHBondContact O-N 3.33Å
949S84.3Confident87Confident51 Ų5141.9 Ų41.936%0.35723%0.229SC..Hα-helixtrans-54.4-33.9173.3171.20000114.1E947 K953 A1009E947-S949 PolarHBondContact O-N 3.44Å; E947-S949 VanDerWaalsContact O-N 3.16Å; S949-K953 VanDerWaalsContact O-CB 3.25Å; S949-K953 WeakPolarHBondContact O-CB 3.38Å; S949-K953 PolarHBondContact O-N 3.16Å; S949-A1009 WeakPolarHBondContact OG-CB 3.38Å
950A85.8Confident87Confident47 Ų4737 Ų3739%0.38821%0.208SC..Hα-helixtrans-78-39.7-177.300000112.1Q910 D948 G954Q910-A950 VanDerWaalsContact NE2-CB 3.27Å; D948-A950 PolarHBondContact O-N 3.5Å; D948-A950 PolarHBondContact OD1-N 3.18Å; A950-G954 PolarHBondContact O-N 3.5Å; A950-G954 VanDerWaalsContact O-N 3.12Å
951F87.4Confident87Confident1 Ų138.9 Ų38.90%0.00422%0.221CC..Hα-helixtrans-62.9-49.5169172.2-109.3000111.7L893 L897 F904 A909 Q910 V913 D948 K953 G954 L955L893-F951 HydrophobicContact CD1-CE2 4.12Å; L893-F951 HydrophobicContact CD1-CZ 4.47Å; L897-F951 HydrophobicContact CD1-CZ 4.16Å; L897-F951 HydrophobicContact CD2-CE1 3.75Å; L897-F951 HydrophobicContact CD2-CZ 3.61Å; L897-F951 HydrophobicContact CG-CZ 4.47Å; F904-F951 HydrophobicContact CZ-CB 4.3Å; F904-F951 HydrophobicContact CZ-CD1 4.09Å; F904-F951 HydrophobicContact CZ-CD2 4.49Å; F904-F951 HydrophobicContact CZ-CG 4.03Å; A909-F951 HydrophobicContact CB-CD2 3.6Å; A909-F951 HydrophobicContact CB-CE2 3.75Å; A909-F951 HydrophobicContact CB-CG 4.42Å; Q910-F951 HydrophobicContact CG-CB 4.41Å; V913-F951 HydrophobicContact CG2-CD2 4.33Å; V913-F951 HydrophobicContact CG2-CE2 3.72Å; D948-F951 HydrophobicContact CB-CB 4.07Å; D948-F951 PolarHBondContact O-N 3.05Å; D948-F951 WeakPolarHBondContact OD2-CB 3.3Å; D948-F951 PolarHBondContact OD2-N 3.05Å; F951-K953 VanDerWaalsContact C-N 3.28Å; F951-K953 PolarHBondContact O-N 2.97Å; F951-G954 PolarHBondContact O-N 3.35Å; F951-L955 HydrophobicContact CE1-CD2 4.14Å; F951-L955 HydrophobicContact CZ-CB 4.48Å; F951-L955 HydrophobicContact CZ-CD2 3.84Å; F951-L955 PolarHBondContact O-N 3.27Å
952C88.1Confident87Confident1 Ų139 Ų391%0.00722%0.222CC..Hα-helixtrans-53.9-45.4176.1174.80000111.5D948 G954 L955 L956 I1001 T1006D948-C952 WeakPolarHBondContact O-CB 3.36Å; D948-C952 PolarHBondContact O-N 3.33Å; C952-G954 PolarHBondContact O-N 2.94Å; C952-L955 PolarHBondContact O-N 3.21Å; C952-L956 WeakPolarHBondContact O-CB 3.36Å; C952-L956 WeakPolarHBondContact O-CG 3.44Å; C952-L956 PolarHBondContact O-N 3.05Å; C952-I1001 HydrophobicContact CB-CD1 4.3Å; C952-I1001 HydrophobicContact CB-CG1 4.32Å; C952-T1006 HydrophobicContact CB-CG2 3.79Å
953K88.6Confident87Confident121 Ų12136 Ų3653%0.52621%0.209SC..Hα-helixtrans-59.7-42.9176.4-178.1-179.6179.4177.80112.6S949 F951 S957 L1013S949-K953 VanDerWaalsContact O-CB 3.25Å; S949-K953 WeakPolarHBondContact O-CB 3.38Å; S949-K953 PolarHBondContact O-N 3.16Å; F951-K953 VanDerWaalsContact C-N 3.28Å; F951-K953 PolarHBondContact O-N 2.97Å; K953-S957 VanDerWaalsContact O-CB 3.23Å; K953-S957 WeakPolarHBondContact O-CB 3.33Å; K953-S957 PolarHBondContact O-N 2.94Å; K953-L1013 HydrophobicContact CB-CD1 4.3Å; K953-L1013 HydrophobicContact CG-CD1 3.92Å; K953-L1013 HydrophobicContact CG-CD2 4.16Å; K953-L1013 HydrophobicContact CG-CG 4.29Å
954G88.4Confident87.1Confident25 Ų2531.4 Ų31.426%0.25819%0.188SC..Hα-helixtrans-62.1-49176.500000112V913 A950 F951 C952 S957 L958V913-G954 WeakPolarHBondContact CG1-O 3.43Å; A950-G954 PolarHBondContact O-N 3.5Å; A950-G954 VanDerWaalsContact O-N 3.12Å; F951-G954 PolarHBondContact O-N 3.35Å; C952-G954 PolarHBondContact O-N 2.94Å; G954-S957 WeakPolarHBondContact O-CB 3.42Å; G954-S957 PolarHBondContact O-N 2.82Å; G954-L958 PolarHBondContact O-N 3.13Å
955L90Very high87.3Confident0 Ų032.9 Ų32.90%020%0.195CC..Hα-helixtrans-69.8-40.9-175.3-177.356000112.6T937 I940 F951 C952 S957 L958 L959 I1001T937-L955 HydrophobicContact CG2-CD1 4.14Å; I940-L955 HydrophobicContact CG2-CD2 3.72Å; F951-L955 HydrophobicContact CE1-CD2 4.14Å; F951-L955 HydrophobicContact CZ-CB 4.48Å; F951-L955 HydrophobicContact CZ-CD2 3.84Å; F951-L955 PolarHBondContact O-N 3.27Å; C952-L955 PolarHBondContact O-N 3.21Å; L955-S957 VanDerWaalsContact C-N 3.33Å; L955-S957 PolarHBondContact O-N 3.39Å; L955-L958 HydrophobicContact CD1-CD2 4.4Å; L955-L958 WeakPolarHBondContact O-CB 3.38Å; L955-L958 PolarHBondContact O-N 3Å; L955-L959 PolarHBondContact O-N 3.47Å; L955-I1001 HydrophobicContact CB-CD1 4.19Å; L955-I1001 HydrophobicContact CD2-CD1 3.7Å; L955-I1001 HydrophobicContact CG-CD1 4.15Å
956L90.5Very high87.7Confident0 Ų033.1 Ų33.10%019%0.185CC..Hα-helixtrans-65.1-35.9171.5-70.9178.2000111.9C952 L958 L959 F960 L976 I1001 A1010 L1013C952-L956 WeakPolarHBondContact O-CB 3.36Å; C952-L956 WeakPolarHBondContact O-CG 3.44Å; C952-L956 PolarHBondContact O-N 3.05Å; L956-L958 VanDerWaalsContact C-N 3.34Å; L956-L959 HydrophobicContact CD2-CD2 4.25Å; L956-L959 PolarHBondContact O-N 3.21Å; L956-F960 HydrophobicContact CB-CE2 4.42Å; L956-F960 WeakPolarHBondContact O-CD2 3.49Å; L956-F960 PolarHBondContact O-N 3.14Å; L956-L976 HydrophobicContact CD2-CD2 4.44Å; L956-I1001 HydrophobicContact CD2-CG2 4.17Å; L956-A1010 HydrophobicContact CD1-CB 3.71Å; L956-L1013 HydrophobicContact CB-CD1 3.63Å; L956-L1013 HydrophobicContact CD1-CD1 4.21Å
957S91.3Very high88Confident62 Ų6237.7 Ų37.743%0.43421%0.205SC..Hα-helixtrans-64.8-37.6173.9-173.50000112.4K953 G954 L955 S961K953-S957 VanDerWaalsContact O-CB 3.23Å; K953-S957 WeakPolarHBondContact O-CB 3.33Å; K953-S957 PolarHBondContact O-N 2.94Å; G954-S957 WeakPolarHBondContact O-CB 3.42Å; G954-S957 PolarHBondContact O-N 2.82Å; L955-S957 VanDerWaalsContact C-N 3.33Å; L955-S957 PolarHBondContact O-N 3.39Å; S957-S961 WeakPolarHBondContact O-CB 3.49Å; S957-S961 PolarHBondContact O-N 3.41Å; S957-S961 VanDerWaalsContact O-N 3.08Å; S957-S961 PolarHBondContact O-OG 3.33Å
958L91.9Very high88.1Confident0 Ų034.5 Ų34.50%019%0.193CC..Hα-helixtrans-63.6-50.3171.9173.158.8000110.2V913 L916 M933 T937 G954 L955 L956 F960 S961 L962V913-L958 HydrophobicContact CG1-CB 4.19Å; V913-L958 HydrophobicContact CG1-CD2 4.16Å; L916-L958 HydrophobicContact CB-CD2 4.12Å; M933-L958 HydrophobicContact CE-CD1 4.07Å; M933-L958 HydrophobicContact CE-CD2 3.85Å; M933-L958 HydrophobicContact CE-CG 4.34Å; T937-L958 HydrophobicContact CG2-CD2 4.34Å; T937-L958 HydrophobicContact CG2-CG 4.15Å; G954-L958 PolarHBondContact O-N 3.13Å; L955-L958 HydrophobicContact CD1-CD2 4.4Å; L955-L958 WeakPolarHBondContact O-CB 3.38Å; L955-L958 PolarHBondContact O-N 3Å; L956-L958 VanDerWaalsContact C-N 3.34Å; L958-F960 PolarHBondContact O-N 3.13Å; L958-S961 PolarHBondContact O-N 2.97Å; L958-S961 VanDerWaalsContact O-N 3.12Å; L958-S961 PolarHBondContact O-OG 2.69Å; L958-L962 HydrophobicContact CD1-CD1 3.94Å; L958-L962 HydrophobicContact CD1-CG 4.13Å; L958-L962 HydrophobicContact CG-CD1 4.23Å; L958-L962 WeakPolarHBondContact O-CG 3.29Å; L958-L962 PolarHBondContact O-N 2.72Å; L958-L962 VanDerWaalsContact O-N 3.09Å
959L92.3Very high88.3Confident0 Ų032.6 Ų32.60%018%0.183CC..Hα-helixtrans-53.3-51.3177.5177.261.9000112.1T937 V938 C941 L955 L956 S961 L962 Q963 L972 F999T937-L959 HydrophobicContact CG2-CB 3.98Å; T937-L959 HydrophobicContact CG2-CD1 4.19Å; V938-L959 HydrophobicContact CG2-CD1 3.59Å; C941-L959 HydrophobicContact CB-CD2 4.32Å; L955-L959 PolarHBondContact O-N 3.47Å; L956-L959 HydrophobicContact CD2-CD2 4.25Å; L956-L959 PolarHBondContact O-N 3.21Å; L959-S961 PolarHBondContact O-N 3.28Å; L959-L962 PolarHBondContact O-N 3.02Å; L959-Q963 VanDerWaalsContact O-CB 3.31Å; L959-Q963 WeakPolarHBondContact O-CB 3.17Å; L959-Q963 PolarHBondContact O-N 3.08Å; L959-L972 HydrophobicContact CD2-CD1 4.24Å; L959-L972 HydrophobicContact CD2-CD2 3.98Å; L959-L972 HydrophobicContact CG-CD2 4.01Å; L959-F999 HydrophobicContact CD2-CE1 4.44Å
960F90.9Very high88.3Confident8 Ų830.5 Ų30.54%0.03517%0.168CC..Hα-helixtrans-62.9-39.7177.9-71.2-54.7000112.4L956 L958 L962 Q963 V964 L972 L973 L976 L1013 V1014 Q1017L956-F960 HydrophobicContact CB-CE2 4.42Å; L956-F960 WeakPolarHBondContact O-CD2 3.49Å; L956-F960 PolarHBondContact O-N 3.14Å; L958-F960 PolarHBondContact O-N 3.13Å; F960-L962 VanDerWaalsContact C-N 3.25Å; F960-L962 PolarHBondContact O-N 2.66Å; F960-Q963 PolarHBondContact O-N 3.35Å; F960-V964 VanDerWaalsContact O-CG2 3.29Å; F960-V964 WeakPolarHBondContact O-CG2 3.42Å; F960-V964 PolarHBondContact O-N 3.42Å; F960-V964 VanDerWaalsContact O-N 3.16Å; F960-L972 HydrophobicContact CD1-CD2 4.04Å; F960-L972 HydrophobicContact CE1-CD2 3.88Å; F960-L972 HydrophobicContact CE1-CG 4.26Å; F960-L973 HydrophobicContact CE1-CD2 3.67Å; F960-L973 HydrophobicContact CZ-CD2 3.91Å; F960-L976 HydrophobicContact CE1-CD1 4.03Å; F960-L976 HydrophobicContact CE2-CD1 4.45Å; F960-L976 HydrophobicContact CZ-CD1 3.53Å; F960-L1013 HydrophobicContact CE2-CB 4.1Å; F960-V1014 HydrophobicContact CZ-CG2 4.16Å; F960-Q1017 HydrophobicContact CD1-CB 4.5Å; F960-Q1017 HydrophobicContact CD1-CG 3.94Å; F960-Q1017 HydrophobicContact CE1-CG 4.25Å; F960-Q1017 HydrophobicContact CG-CG 4.29Å
961S89Confident88.4Confident42 Ų4231.3 Ų31.329%0.29417%0.171SC..Hα-helixtrans-63-30.7178.8750000113.6S957 L958 L959S957-S961 WeakPolarHBondContact O-CB 3.49Å; S957-S961 PolarHBondContact O-N 3.41Å; S957-S961 VanDerWaalsContact O-N 3.08Å; S957-S961 PolarHBondContact O-OG 3.33Å; L958-S961 PolarHBondContact O-N 2.97Å; L958-S961 VanDerWaalsContact O-N 3.12Å; L958-S961 PolarHBondContact O-OG 2.69Å; L959-S961 PolarHBondContact O-N 3.28Å
962L90.2Very high88.5Confident3 Ų331.7 Ų31.72%0.01617%0.173CC..Hα-helixtrans-83-43.8174.6-61.5173.9000111.6F930 M933 I934 T937 L958 L959 F960 V964 L965 Y966F930-L962 HydrophobicContact CD2-CD2 4.34Å; F930-L962 HydrophobicContact CE2-CD2 3.53Å; F930-L962 HydrophobicContact CZ-CB 4.28Å; F930-L962 HydrophobicContact CZ-CD2 3.94Å; F930-L962 WeakPolarHBondContact CZ-O 3.31Å; M933-L962 HydrophobicContact CE-CD1 4.08Å; M933-L962 HydrophobicContact CG-CD1 3.86Å; M933-L962 HydrophobicContact CG-CD2 4.4Å; I934-L962 HydrophobicContact CB-CB 4.14Å; I934-L962 HydrophobicContact CB-CD1 4.39Å; I934-L962 HydrophobicContact CD1-CB 4Å; I934-L962 HydrophobicContact CG1-CB 3.94Å; T937-L962 HydrophobicContact CG2-CD1 4.42Å; T937-L962 WeakPolarHBondContact OG1-CD1 3.23Å; L958-L962 HydrophobicContact CD1-CD1 3.94Å; L958-L962 HydrophobicContact CD1-CG 4.13Å; L958-L962 HydrophobicContact CG-CD1 4.23Å; L958-L962 WeakPolarHBondContact O-CG 3.29Å; L958-L962 PolarHBondContact O-N 2.72Å; L958-L962 VanDerWaalsContact O-N 3.09Å; L959-L962 PolarHBondContact O-N 3.02Å; F960-L962 VanDerWaalsContact C-N 3.25Å; F960-L962 PolarHBondContact O-N 2.66Å; L962-V964 PolarHBondContact O-N 3.31Å; L962-L965 PolarHBondContact O-N 3.37Å; L962-Y966 PolarHBondContact O-N 3.36Å
963Q88.9Confident88.6Confident22 Ų2231.7 Ų31.710%0.10317%0.173CC..Hα-helixtrans-58.9-46.7-175.9-178.168.313.400111.9I934 L959 F960 L965 Y966 K967 P969 L972I934-Q963 HydrophobicContact CD1-CB 4.28Å; L959-Q963 VanDerWaalsContact O-CB 3.31Å; L959-Q963 WeakPolarHBondContact O-CB 3.17Å; L959-Q963 PolarHBondContact O-N 3.08Å; F960-Q963 PolarHBondContact O-N 3.35Å; Q963-L965 PolarHBondContact O-N 3.03Å; Q963-Y966 WeakPolarHBondContact O-CA 3.36Å; Q963-Y966 PolarHBondContact O-N 2.84Å; Q963-K967 CarbonylContact C-O 3.58Å; Q963-K967 PolarHBondContact O-N 3.29Å; Q963-P969 HydrophobicContact CG-CB 4.25Å; Q963-L972 HydrophobicContact CB-CD2 4.19Å; Q963-L972 HydrophobicContact CG-CD2 3.88Å
964V87.9Confident88.7Confident15 Ų1527.6 Ų27.69%0.09116%0.157CC..Hα-helixtrans-61.2-28.8-177-179.10000112.4G249 K251 F960 L962 P969G249-V964 VanDerWaalsContact O-CG1 3.25Å; G249-V964 WeakPolarHBondContact O-CG1 3.13Å; K251-V964 PolarHBondContact N-O 3.14Å; F960-V964 VanDerWaalsContact O-CG2 3.29Å; F960-V964 WeakPolarHBondContact O-CG2 3.42Å; F960-V964 PolarHBondContact O-N 3.42Å; F960-V964 VanDerWaalsContact O-N 3.16Å; L962-V964 PolarHBondContact O-N 3.31Å; V964-P969 HydrophobicContact CG2-CB 4.38Å; V964-P969 HydrophobicContact CG2-CG 4.11Å
965L86.7Confident88.8Confident47 Ų4729 Ų2925%0.24616%0.157CC..Hα-helixtrans-86.6-7.6174.5-62.2176.5000113.8Q248 K251 P925 F930 L962 Q963Q248-L965 WeakPolarHBondContact O-CD2 3.42Å; K251-L965 WeakPolarHBondContact CB-O 3.13Å; P925-L965 HydrophobicContact CB-CB 4.44Å; P925-L965 HydrophobicContact CG-CB 4.45Å; P925-L965 HydrophobicContact CG-CD1 4.49Å; F930-L965 HydrophobicContact CE1-CB 4.31Å; F930-L965 HydrophobicContact CZ-CB 3.82Å; F930-L965 HydrophobicContact CZ-CD1 4.45Å; L962-L965 PolarHBondContact O-N 3.37Å; Q963-L965 PolarHBondContact O-N 3.03Å
966Y87Confident88.8Confident80 Ų8029 Ų2931%0.31416%0.157SC..Hα-helixtrans-103.1-53.2177.1-176.2-116.1000112.6K251 V931 I934 L962 Q963K251-Y966 WeakPolarHBondContact CG-O 3.17Å; V931-Y966 HydrophobicContact CG2-CE2 4.08Å; I934-Y966 HydrophobicContact CD1-CD1 3.97Å; I934-Y966 HydrophobicContact CD1-CG 4Å; I934-Y966 HydrophobicContact CG2-CG 4.46Å; L962-Y966 PolarHBondContact O-N 3.36Å; Q963-Y966 WeakPolarHBondContact O-CA 3.36Å; Q963-Y966 PolarHBondContact O-N 2.84Å
967K85.4Confident88.8Confident120 Ų12029 Ų2952%0.52216%0.157SC..SBendtrans-155.8160.2-177.4-70.5-175.8-178.6171.20110.8Q963Q963-K967 CarbonylContact C-O 3.58Å; Q963-K967 PolarHBondContact O-N 3.29Å
968T83.1Confident88.7Confident40 Ų4028.2 Ų28.225%0.24515%0.146CC..  trans-50.2128.6174.2-43.30000111.3F252 A970 Q1063F252-T968 HydrophobicContact CD2-CG2 4.26Å; F252-T968 WeakPolarHBondContact CD2-OG1 3.44Å; F252-T968 HydrophobicContact CG-CG2 4.38Å; T968-A970 HydrophobicContact CG2-CB 4.03Å; T968-A970 PolarHBondContact O-N 2.88Å; T968-Q1063 HydrophobicContact CG2-CG 4.12Å
969P85.9Confident88.5Confident0 Ų028.2 Ų28.20%015%0.146CC..THydrogen-bonded Turntrans-74.5-6-177.231.2-38.2000113.6Q963 V964 S971 L972 L973 Q1017 V1021Q963-P969 HydrophobicContact CG-CB 4.25Å; V964-P969 HydrophobicContact CG2-CB 4.38Å; V964-P969 HydrophobicContact CG2-CG 4.11Å; P969-S971 VanDerWaalsContact C-N 3.33Å; P969-S971 PolarHBondContact O-N 3.44Å; P969-L972 WeakPolarHBondContact O-CB 3.43Å; P969-L972 PolarHBondContact O-N 2.67Å; P969-L973 HydrophobicContact CB-CD1 4.5Å; P969-L973 HydrophobicContact CB-CG 4.48Å; P969-L973 WeakPolarHBondContact O-CG 3.16Å; P969-L973 PolarHBondContact O-N 3.44Å; P969-Q1017 HydrophobicContact CB-CG 4.47Å; P969-Q1017 HydrophobicContact CG-CG 4.43Å; P969-V1021 HydrophobicContact CG-CG2 3.71Å
970A85.5Confident88.3Confident6 Ų628.2 Ų28.25%0.0515%0.146CC..Hα-helixtrans-56.9-37.3-170.400000114.5T968 L974 Q1063 T1066T968-A970 HydrophobicContact CG2-CB 4.03Å; T968-A970 PolarHBondContact O-N 2.88Å; A970-L974 PolarHBondContact O-N 3.17Å; A970-L974 VanDerWaalsContact O-N 3.14Å; A970-Q1063 HydrophobicContact CB-CG 4.47Å; A970-T1066 HydrophobicContact CB-CG2 4.01Å; A970-T1066 WeakPolarHBondContact O-CG2 3.41Å
971S87.6Confident88.2Confident64 Ų6428.1 Ų28.145%0.44815%0.146SC..Hα-helixtrans-70.6-40175.361.40000112.4P969 L973 L974 E975P969-S971 VanDerWaalsContact C-N 3.33Å; P969-S971 PolarHBondContact O-N 3.44Å; S971-L973 VanDerWaalsContact C-N 3.32Å; S971-L973 PolarHBondContact O-N 3.02Å; S971-L974 WeakPolarHBondContact O-CB 3.33Å; S971-L974 PolarHBondContact O-N 3.45Å; S971-E975 PolarHBondContact O-N 3.29Å
972L89Confident88.1Confident10 Ų1027.2 Ų27.25%0.05214%0.139CC..Hα-helixtrans-64.6-37.2175.3176.265.3000111.5L959 F960 Q963 P969 L976 F999L959-L972 HydrophobicContact CD2-CD1 4.24Å; L959-L972 HydrophobicContact CD2-CD2 3.98Å; L959-L972 HydrophobicContact CG-CD2 4.01Å; F960-L972 HydrophobicContact CD1-CD2 4.04Å; F960-L972 HydrophobicContact CE1-CD2 3.88Å; F960-L972 HydrophobicContact CE1-CG 4.26Å; Q963-L972 HydrophobicContact CB-CD2 4.19Å; Q963-L972 HydrophobicContact CG-CD2 3.88Å; P969-L972 WeakPolarHBondContact O-CB 3.43Å; P969-L972 PolarHBondContact O-N 2.67Å; L972-L976 HydrophobicContact CD1-CD1 4.11Å; L972-L976 HydrophobicContact CD1-CG 4.29Å; L972-L976 HydrophobicContact CG-CD1 4.03Å; L972-L976 WeakPolarHBondContact O-CB 3.48Å; L972-L976 WeakPolarHBondContact O-CG 3.21Å; L972-L976 PolarHBondContact O-N 3.47Å; L972-F999 HydrophobicContact CD1-CE1 4.13Å; L972-F999 HydrophobicContact CD1-CE2 3.54Å; L972-F999 HydrophobicContact CD1-CZ 3.24Å
973L90.6Very high87.9Confident0 Ų029.8 Ų29.80%015%0.151CC..Hα-helixtrans-63.9-41.3173.8-65.5171.9000111F960 P969 S971 L976 C977 V1014 Q1017 V1018 V1021 L1067F960-L973 HydrophobicContact CE1-CD2 3.67Å; F960-L973 HydrophobicContact CZ-CD2 3.91Å; P969-L973 HydrophobicContact CB-CD1 4.5Å; P969-L973 HydrophobicContact CB-CG 4.48Å; P969-L973 WeakPolarHBondContact O-CG 3.16Å; P969-L973 PolarHBondContact O-N 3.44Å; S971-L973 VanDerWaalsContact C-N 3.32Å; S971-L973 PolarHBondContact O-N 3.02Å; L973-L976 PolarHBondContact O-N 3.13Å; L973-C977 WeakPolarHBondContact O-CB 3.47Å; L973-C977 PolarHBondContact O-N 2.66Å; L973-C977 PolarHBondContact O-SG 3.27Å; L973-V1014 HydrophobicContact CD2-CB 4.32Å; L973-V1014 HydrophobicContact CD2-CG1 3.96Å; L973-V1014 HydrophobicContact CD2-CG2 4.35Å; L973-Q1017 HydrophobicContact CD1-CG 4.4Å; L973-Q1017 HydrophobicContact CD2-CB 3.96Å; L973-Q1017 HydrophobicContact CD2-CG 4.08Å; L973-V1018 HydrophobicContact CD1-CG2 4.24Å; L973-V1021 HydrophobicContact CD1-CG2 4.32Å; L973-L1067 HydrophobicContact CD1-CD1 4.41Å
974L90.7Very high87.7Confident35 Ų3530.1 Ų30.118%0.18315%0.153CC..Hα-helixtrans-62.3-50.8174.8178.159.9000112A970 S971 L976 C977 Q978 T1066 T1069 A1070 E1073A970-L974 PolarHBondContact O-N 3.17Å; A970-L974 VanDerWaalsContact O-N 3.14Å; S971-L974 WeakPolarHBondContact O-CB 3.33Å; S971-L974 PolarHBondContact O-N 3.45Å; L974-L976 VanDerWaalsContact C-N 3.3Å; L974-L976 PolarHBondContact O-N 2.93Å; L974-C977 PolarHBondContact O-N 2.9Å; L974-C977 VanDerWaalsContact O-N 3.13Å; L974-Q978 HydrophobicContact CD1-CG 4.25Å; L974-Q978 WeakPolarHBondContact O-CG 3.39Å; L974-Q978 PolarHBondContact O-N 2.79Å; L974-Q978 PolarHBondContact O-OE1 3.34Å; L974-T1066 HydrophobicContact CB-CG2 4.26Å; L974-T1066 HydrophobicContact CD2-CG2 4.25Å; L974-T1069 HydrophobicContact CD1-CG2 3.81Å; L974-T1069 HydrophobicContact CD2-CG2 4.4Å; L974-A1070 HydrophobicContact CB-CB 4.1Å; L974-A1070 HydrophobicContact CD1-CB 4.14Å; L974-E1073 HydrophobicContact CD1-CG 4.49Å
975E90.1Very high87.5Confident56 Ų5630.4 Ų30.426%0.26216%0.16SC..Hα-helixtrans-54.7-44.7176.7-72.5173.1-141.100111.4K942 S971 Q978 D979 H998 F999K942-E975 IonicContact NZ-OE2 3.38Å; K942-E975 PolarHBondContact NZ-OE2 3.22Å; S971-E975 PolarHBondContact O-N 3.29Å; E975-Q978 PolarHBondContact O-N 3.15Å; E975-D979 PolarHBondContact O-N 3.42Å; E975-H998 HydrophobicContact CB-CB 4.19Å; E975-F999 HydrophobicContact CB-CD2 4.47Å; E975-F999 HydrophobicContact CB-CE2 3.92Å; E975-F999 WeakPolarHBondContact OE2-CE2 3.43Å
976L90.8Very high87.5Confident0 Ų029.6 Ų29.60%016%0.156CC..Hα-helixtrans-71-33.9178.1-71.7170.3000113.3L956 F960 L972 L973 L974 Q978 D979 I980 F999 V1002 V1014L956-L976 HydrophobicContact CD2-CD2 4.44Å; F960-L976 HydrophobicContact CE1-CD1 4.03Å; F960-L976 HydrophobicContact CE2-CD1 4.45Å; F960-L976 HydrophobicContact CZ-CD1 3.53Å; L972-L976 HydrophobicContact CD1-CD1 4.11Å; L972-L976 HydrophobicContact CD1-CG 4.29Å; L972-L976 HydrophobicContact CG-CD1 4.03Å; L972-L976 WeakPolarHBondContact O-CB 3.48Å; L972-L976 WeakPolarHBondContact O-CG 3.21Å; L972-L976 PolarHBondContact O-N 3.47Å; L973-L976 PolarHBondContact O-N 3.13Å; L974-L976 VanDerWaalsContact C-N 3.3Å; L974-L976 PolarHBondContact O-N 2.93Å; L976-Q978 VanDerWaalsContact C-N 3.35Å; L976-D979 PolarHBondContact O-N 2.98Å; L976-I980 WeakPolarHBondContact O-CB 3.29Å; L976-I980 VanDerWaalsContact O-CD1 3.3Å; L976-I980 WeakPolarHBondContact O-CD1 3.36Å; L976-I980 WeakPolarHBondContact O-CG1 3.47Å; L976-I980 PolarHBondContact O-N 3.16Å; L976-F999 HydrophobicContact CD2-CB 4.05Å; L976-F999 HydrophobicContact CD2-CD2 3.61Å; L976-F999 HydrophobicContact CD2-CE2 4.27Å; L976-F999 HydrophobicContact CD2-CG 3.88Å; L976-F999 HydrophobicContact CG-CD2 4.13Å; L976-F999 HydrophobicContact CG-CE2 4.35Å; L976-V1002 HydrophobicContact CD2-CG2 3.86Å; L976-V1014 HydrophobicContact CB-CG2 3.96Å; L976-V1014 HydrophobicContact CD1-CG2 4.2Å
977C90.2Very high87.3Confident0 Ų027.5 Ų27.50%015%0.149CC..Hα-helixtrans-65.5-39.6173.5-71.70000111.7L973 L974 I980 H981 A1070 E1073 L1074L973-C977 WeakPolarHBondContact O-CB 3.47Å; L973-C977 PolarHBondContact O-N 2.66Å; L973-C977 PolarHBondContact O-SG 3.27Å; L974-C977 PolarHBondContact O-N 2.9Å; L974-C977 VanDerWaalsContact O-N 3.13Å; C977-I980 PolarHBondContact O-N 2.98Å; C977-H981 WeakPolarHBondContact O-CB 3.44Å; C977-H981 PolarHBondContact O-N 3.2Å; C977-A1070 HydrophobicContact CB-CB 4.33Å; C977-A1070 VanDerWaalsContact CB-O 3.29Å; C977-A1070 WeakPolarHBondContact CB-O 3.14Å; C977-A1070 PolarHBondContact SG-O 3.38Å; C977-E1073 HydrophobicContact CB-CB 4.05Å; C977-L1074 HydrophobicContact CB-CD2 4.23Å; C977-L1074 HydrophobicContact CB-CG 4.06Å; C977-L1074 VanDerWaalsContact SG-CD1 3.55Å; C977-L1074 VanDerWaalsContact SG-CG 3.53Å
978Q89.7Confident86.8Confident44 Ų4425.9 Ų25.921%0.20615%0.147CC..Hα-helixtrans-63.3-43.8174.9-70.1171.9-60.800111.4L974 E975 L976 I980 H981 S982 Q996 E1073L974-Q978 HydrophobicContact CD1-CG 4.25Å; L974-Q978 WeakPolarHBondContact O-CG 3.39Å; L974-Q978 PolarHBondContact O-N 2.79Å; L974-Q978 PolarHBondContact O-OE1 3.34Å; E975-Q978 PolarHBondContact O-N 3.15Å; L976-Q978 VanDerWaalsContact C-N 3.35Å; Q978-I980 VanDerWaalsContact C-N 3.35Å; Q978-I980 PolarHBondContact O-N 3.41Å; Q978-H981 PolarHBondContact O-N 2.92Å; Q978-S982 WeakPolarHBondContact O-CB 3.3Å; Q978-S982 PolarHBondContact O-N 2.94Å; Q978-S982 PolarHBondContact O-OG 3.29Å; Q978-Q996 VanDerWaalsContact NE2-OE1 3.1Å; Q978-E1073 HydrophobicContact CG-CG 4.05Å
979D88.1Confident86.1Confident1 Ų132.6 Ų32.61%0.00518%0.175CC..Hα-helixtrans-64.6-36.4174.1-68.6-17.3000112.7E975 L976 S982 Q983 C997 H998 F999 V1002E975-D979 PolarHBondContact O-N 3.42Å; L976-D979 PolarHBondContact O-N 2.98Å; D979-S982 PolarHBondContact O-OG 2.76Å; D979-Q983 WeakPolarHBondContact O-CB 3.49Å; D979-Q983 WeakPolarHBondContact O-CG 3.43Å; D979-Q983 PolarHBondContact O-N 3.18Å; D979-C997 WeakPolarHBondContact OD1-CA 3.25Å; D979-H998 IonicContact OD1-CD2 2.64Å; D979-H998 PolarHBondContact OD1-CD2 2.93Å; D979-H998 IonicContact OD1-CG 3.92Å; D979-H998 PolarHBondContact OD1-N 3.46Å; D979-H998 WeakPolarHBondContact OD2-CB 3.49Å; D979-H998 PolarHBondContact OD2-N 3.47Å; D979-F999 WeakPolarHBondContact OD2-CB 3.21Å; D979-F999 WeakPolarHBondContact OD2-CD2 3.33Å; D979-F999 PolarHBondContact OD2-N 3.04Å; D979-V1002 HydrophobicContact CB-CB 4.05Å; D979-V1002 HydrophobicContact CB-CG1 4.06Å; D979-V1002 HydrophobicContact CB-CG2 4.3Å
980I88.1Confident85.1Confident0 Ų039.9 Ų39.90%021%0.214CC..Hα-helixtrans-67.3-41.4175.5-71.4160.5000110.4L976 C977 Q978 L984 V1002 A1010 A1011 V1014 L1074 T1077L976-I980 WeakPolarHBondContact O-CB 3.29Å; L976-I980 VanDerWaalsContact O-CD1 3.3Å; L976-I980 WeakPolarHBondContact O-CD1 3.36Å; L976-I980 WeakPolarHBondContact O-CG1 3.47Å; L976-I980 PolarHBondContact O-N 3.16Å; C977-I980 PolarHBondContact O-N 2.98Å; Q978-I980 VanDerWaalsContact C-N 3.35Å; Q978-I980 PolarHBondContact O-N 3.41Å; I980-L984 HydrophobicContact CG2-CD1 3.87Å; I980-L984 WeakPolarHBondContact O-CB 3.41Å; I980-L984 PolarHBondContact O-N 2.93Å; I980-V1002 HydrophobicContact CG1-CG1 3.91Å; I980-A1010 HydrophobicContact CD1-CB 4.12Å; I980-A1010 HydrophobicContact CG1-CB 4.36Å; I980-A1011 HydrophobicContact CD1-CB 4Å; I980-A1011 HydrophobicContact CG2-CB 4.33Å; I980-V1014 HydrophobicContact CD1-CG2 4.12Å; I980-L1074 HydrophobicContact CB-CD2 4.13Å; I980-L1074 HydrophobicContact CD1-CD2 4.26Å; I980-L1074 HydrophobicContact CG2-CD2 3.72Å; I980-T1077 HydrophobicContact CG2-CG2 4.33Å
981H88.5Confident84.5Confident6 Ų642.8 Ų42.83%0.02823%0.231CC..Hα-helixtrans-66.7-47.9178.4-170-168.3000111.5C977 Q978 Q983 L984 G985 D986 E1073 T1077C977-H981 WeakPolarHBondContact O-CB 3.44Å; C977-H981 PolarHBondContact O-N 3.2Å; Q978-H981 PolarHBondContact O-N 2.92Å; H981-Q983 VanDerWaalsContact C-N 3.27Å; H981-Q983 PolarHBondContact O-N 3.09Å; H981-L984 PolarHBondContact O-N 3.09Å; H981-G985 WeakPolarHBondContact O-CA 3.37Å; H981-G985 PolarHBondContact O-N 3.16Å; H981-D986 IonicContact CE1-OD2 3.66Å; H981-D986 IonicContact NE2-OD2 3.71Å; H981-E1073 HydrophobicContact CB-CB 4.27Å; H981-E1073 IonicContact CE1-OE2 2.76Å; H981-E1073 IonicContact ND1-OE2 2.74Å; H981-E1073 PolarHBondContact ND1-OE2 3.02Å; H981-T1077 WeakPolarHBondContact CA-OG1 3.24Å; H981-T1077 WeakPolarHBondContact CB-OG1 3.2Å; H981-T1077 PolarHBondContact CD2-OG1 3.29Å
982S86.7Confident83.6Confident22 Ų2249 Ų4915%0.15425%0.253CS..Hα-helixtrans-63.3-31.3179.876.30000113.4Q978 D979 E994 Q996Q978-S982 WeakPolarHBondContact O-CB 3.3Å; Q978-S982 PolarHBondContact O-N 2.94Å; Q978-S982 PolarHBondContact O-OG 3.29Å; D979-S982 PolarHBondContact O-OG 2.76Å; S982-E994 WeakPolarHBondContact CB-O 3.39Å; S982-Q996 WeakPolarHBondContact CB-O 3.48Å; S982-Q996 PolarHBondContact OG-O 3.26Å
983Q85.3Confident82.9Confident57 Ų5750.5 Ų50.527%0.26626%0.263SS..Hα-helixtrans-79.6-49.9176.6-66.9-70.3-41.800111.8D979 H981 V1002 M1004D979-Q983 WeakPolarHBondContact O-CB 3.49Å; D979-Q983 WeakPolarHBondContact O-CG 3.43Å; D979-Q983 PolarHBondContact O-N 3.18Å; H981-Q983 VanDerWaalsContact C-N 3.27Å; H981-Q983 PolarHBondContact O-N 3.09Å; Q983-V1002 HydrophobicContact CG-CG1 4.38Å; Q983-M1004 WeakPolarHBondContact O-CE 3.39Å
984L84.5Confident81.9Confident29 Ų2957.1 Ų57.115%0.15229%0.294CS..Hα-helixtrans-81.8-16.8-173.8-68.8174.4000114.3I980 H981 M1004 A1007 T1077 L1079I980-L984 HydrophobicContact CG2-CD1 3.87Å; I980-L984 WeakPolarHBondContact O-CB 3.41Å; I980-L984 PolarHBondContact O-N 2.93Å; H981-L984 PolarHBondContact O-N 3.09Å; L984-M1004 HydrophobicContact CD2-CE 3.69Å; L984-M1004 HydrophobicContact CG-CE 4.43Å; L984-A1007 HydrophobicContact CD1-CB 3.97Å; L984-A1007 HydrophobicContact CD2-CB 4.22Å; L984-A1007 HydrophobicContact CG-CB 3.91Å; L984-T1077 HydrophobicContact CB-CG2 3.5Å; L984-T1077 HydrophobicContact CD1-CG2 3.9Å; L984-T1077 HydrophobicContact CG-CG2 4.32Å; L984-L1079 HydrophobicContact CD1-CD2 3.75Å
985G83.7Confident80.6Confident22 Ų2264.8 Ų64.823%0.22733%0.325CS..  trans82.1167.7-178.100000113.6H981 T1077 A1078H981-G985 WeakPolarHBondContact O-CA 3.37Å; H981-G985 PolarHBondContact O-N 3.16Å; G985-T1077 CarbonylContact O-C 3.5Å; G985-T1077 WeakPolarHBondContact O-CA 3.36Å; G985-A1078 PolarHBondContact O-N 3.1Å
986D86.3Confident79.5Confident29 Ų2964.7 Ų64.716%0.15533%0.325CS..BIsolated β-bridgetrans-78.6160.7173.9-156.9-59.4000110.7H981 D988 V991 V993 Q1076 A1078H981-D986 IonicContact CE1-OD2 3.66Å; H981-D986 IonicContact NE2-OD2 3.71Å; D986-D988 VanDerWaalsContact C-N 3.32Å; D986-D988 PolarHBondContact OD1-N 3.35Å; D986-V991 HydrophobicContact CB-CB 4.1Å; D986-V991 HydrophobicContact CB-CG1 4.2Å; D986-V993 HydrophobicContact CB-CG2 3.78Å; D986-Q1076 CarbonylContact C-O 3.56Å; D986-Q1076 WeakPolarHBondContact CA-O 3.43Å; D986-A1078 WeakPolarHBondContact O-CB 3.49Å
987I83.4Confident78.5Confident36 Ų3668.7 Ų68.719%0.18535%0.352CS..SBendtrans-67.8-34.9170.1-74.9158.5000111.2V1075 Q1076 F1139 Y1142I987-V1075 VanDerWaalsContact CD1-O 3.23Å; I987-V1075 WeakPolarHBondContact CD1-O 3.21Å; I987-Q1076 WeakPolarHBondContact CD1-O 3.39Å; I987-Q1076 VanDerWaalsContact CG1-O 3.27Å; I987-Q1076 WeakPolarHBondContact CG1-O 3.48Å; I987-Q1076 PolarHBondContact N-O 3.48Å; I987-F1139 HydrophobicContact CD1-CB 4.48Å; I987-F1139 HydrophobicContact CD1-CD2 3.59Å; I987-F1139 HydrophobicContact CD1-CE2 4.31Å; I987-Y1142 HydrophobicContact CB-CD2 4.38Å; I987-Y1142 HydrophobicContact CB-CG 4.45Å; I987-Y1142 HydrophobicContact CD1-CD1 4.06Å; I987-Y1142 HydrophobicContact CD1-CG 4.18Å; I987-Y1142 HydrophobicContact CG1-CD1 3.94Å; I987-Y1142 HydrophobicContact CG1-CD2 4.1Å; I987-Y1142 HydrophobicContact CG1-CE1 4.21Å; I987-Y1142 HydrophobicContact CG1-CE2 4.34Å; I987-Y1142 HydrophobicContact CG1-CG 3.88Å; I987-Y1142 HydrophobicContact CG2-CD2 3.7Å; I987-Y1142 HydrophobicContact CG2-CE2 4.49Å; I987-Y1142 HydrophobicContact CG2-CG 3.79Å
988D75.9Confident78Confident86 Ų8672 Ų7246%0.4637%0.368SS..SBendtrans-82.6115.6172.4-164.1-18.5000109.8D986 D990 V991D986-D988 VanDerWaalsContact C-N 3.32Å; D986-D988 PolarHBondContact OD1-N 3.35Å; D988-D990 PolarHBondContact O-N 2.98Å; D988-D990 PolarHBondContact OD1-N 2.94Å; D988-V991 HydrophobicContact CB-CB 4.39Å; D988-V991 HydrophobicContact CB-CG2 3.78Å; D988-V991 PolarHBondContact O-N 3.25Å
989Q68.7Low77.8Confident181 Ų18170 Ų7085%0.84636%0.358SS*.THydrogen-bonded Turntrans-69.4-17.6-175.2-6517833.900112.6V991Q989-V991 VanDerWaalsContact C-N 3.32Å
990D63Low77.5Confident153 Ų15371.8 Ų71.882%0.81837%0.37SS*.THydrogen-bonded Turntrans-86.2-2.8178.5-64.9-27.2000112.7D988D988-D990 PolarHBondContact O-N 2.98Å; D988-D990 PolarHBondContact OD1-N 2.94Å
991V74.7Confident77.3Confident68 Ų6871.8 Ų71.841%0.41237%0.371SS..  trans-97107.3-179.7177.40000111.4D986 D988 Q989 V993D986-V991 HydrophobicContact CB-CB 4.1Å; D986-V991 HydrophobicContact CB-CG1 4.2Å; D988-V991 HydrophobicContact CB-CB 4.39Å; D988-V991 HydrophobicContact CB-CG2 3.78Å; D988-V991 PolarHBondContact O-N 3.25Å; Q989-V991 VanDerWaalsContact C-N 3.32Å; V991-V993 PolarHBondContact O-N 2.71Å; V991-V993 VanDerWaalsContact O-N 3.13Å
992E67Low77.1Confident193 Ų19371.7 Ų71.790%0.90237%0.37SS*.  trans-71.9101.9169.1-69.7-167.8175.300111
993V74.3Confident77Confident42 Ų4271.9 Ų71.926%0.25537%0.37SS..  trans-69.7130.9174.7-1720000110.6D986 V991 K995D986-V993 HydrophobicContact CB-CG2 3.78Å; V991-V993 PolarHBondContact O-N 2.71Å; V991-V993 VanDerWaalsContact O-N 3.13Å; V993-K995 PolarHBondContact O-N 3.4Å
994E69.5Low76.9Confident140 Ų14074.4 Ų74.465%0.65438%0.383SS*.  trans-58.6134.3173.9-69.6-172.5167.700111.3S982 Q996S982-E994 WeakPolarHBondContact CB-O 3.39Å; E994-Q996 HydrophobicContact CB-CG 4.21Å; E994-Q996 PolarHBondContact O-N 3.01Å; E994-Q996 PolarHBondContact OE2-NE2 3.13Å
995K64.4Low76.8Confident195 Ų19578.9 Ų78.985%0.84840%0.401SS*.  trans-74.574.5177.2-68.5-175.1-179.5176.90111.9V993V993-K995 PolarHBondContact O-N 3.4Å
996Q67.7Low76.9Confident54 Ų5477.9 Ų77.925%0.25239%0.39SS..  trans-82.6124.3170.4-60.6-178.77.700108.6Q978 S982 E994Q978-Q996 VanDerWaalsContact NE2-OE1 3.1Å; S982-Q996 WeakPolarHBondContact CB-O 3.48Å; S982-Q996 PolarHBondContact OG-O 3.26Å; E994-Q996 HydrophobicContact CB-CG 4.21Å; E994-Q996 PolarHBondContact O-N 3.01Å; E994-Q996 PolarHBondContact OE2-NE2 3.13Å
997C68.3Low76.8Confident85 Ų8576.5 Ų76.557%0.57438%0.383SS*.  trans-13677.4179.8-76.20000109.2D979D979-C997 WeakPolarHBondContact OD1-CA 3.25Å
998H81Confident76.9Confident69 Ų6976.5 Ų76.532%0.31939%0.385SS..SBendtrans-75.2-34.9175.1-59.8-70.7000111.9K942 E975 D979K942-H998 WeakPolarHBondContact CD-O 3.45Å; K942-H998 VanDerWaalsContact CG-O 3.28Å; K942-H998 WeakPolarHBondContact CG-O 3.21Å; E975-H998 HydrophobicContact CB-CB 4.19Å; D979-H998 IonicContact OD1-CD2 2.64Å; D979-H998 PolarHBondContact OD1-CD2 2.93Å; D979-H998 IonicContact OD1-CG 3.92Å; D979-H998 PolarHBondContact OD1-N 3.46Å; D979-H998 WeakPolarHBondContact OD2-CB 3.49Å; D979-H998 PolarHBondContact OD2-N 3.47Å
999F84.8Confident77.4Confident3 Ų373.1 Ų73.11%0.01337%0.369CS..  trans-131.4103.2-179.2-64.2-86.4000111.9V938 C941 K942 L959 L972 E975 L976 D979 I1001 V1002V938-F999 HydrophobicContact CG1-CE1 4.44Å; C941-F999 HydrophobicContact CB-CD1 3.64Å; C941-F999 HydrophobicContact CB-CE1 4.08Å; C941-F999 WeakPolarHBondContact O-CA 3.34Å; K942-F999 HydrophobicContact CD-CD1 4.49Å; K942-F999 HydrophobicContact CD-CE1 4.19Å; K942-F999 HydrophobicContact CG-CD1 3.58Å; K942-F999 HydrophobicContact CG-CE1 3.61Å; K942-F999 HydrophobicContact CG-CG 4.37Å; K942-F999 HydrophobicContact CG-CZ 4.4Å; L959-F999 HydrophobicContact CD2-CE1 4.44Å; L972-F999 HydrophobicContact CD1-CE1 4.13Å; L972-F999 HydrophobicContact CD1-CE2 3.54Å; L972-F999 HydrophobicContact CD1-CZ 3.24Å; E975-F999 HydrophobicContact CB-CD2 4.47Å; E975-F999 HydrophobicContact CB-CE2 3.92Å; E975-F999 WeakPolarHBondContact OE2-CE2 3.43Å; L976-F999 HydrophobicContact CD2-CB 4.05Å; L976-F999 HydrophobicContact CD2-CD2 3.61Å; L976-F999 HydrophobicContact CD2-CE2 4.27Å; L976-F999 HydrophobicContact CD2-CG 3.88Å; L976-F999 HydrophobicContact CG-CD2 4.13Å; L976-F999 HydrophobicContact CG-CE2 4.35Å; D979-F999 WeakPolarHBondContact OD2-CB 3.21Å; D979-F999 WeakPolarHBondContact OD2-CD2 3.33Å; D979-F999 PolarHBondContact OD2-N 3.04Å; F999-I1001 HydrophobicContact CB-CG2 4.19Å; F999-I1001 PolarHBondContact O-N 2.84Å; F999-V1002 HydrophobicContact CB-CG2 4.4Å; F999-V1002 PolarHBondContact O-N 3.49Å
1000S82.4Confident78.3Confident37 Ų3764.5 Ų64.526%0.25933%0.329SS..THydrogen-bonded Turntrans-61.9-13.5179.961.10000115.1C941 K942 E943 T944 S945 V1002C941-S1000 PolarHBondContact O-N 3.2Å; K942-S1000 VanDerWaalsContact C-OG 3.29Å; K942-S1000 WeakPolarHBondContact O-CB 3.49Å; K942-S1000 PolarHBondContact O-OG 3.47Å; E943-S1000 VanDerWaalsContact C-OG 3.27Å; T944-S1000 PolarHBondContact N-OG 3.21Å; T944-S1000 CarbonylContact O-C 3.49Å; T944-S1000 PolarHBondContact O-OG 3.22Å; S945-S1000 WeakPolarHBondContact CA-O 3.34Å; S945-S1000 WeakPolarHBondContact CB-O 3.24Å; S1000-V1002 PolarHBondContact O-N 2.85Å
1001I83.5Confident79.5Confident1 Ų157.3 Ų57.31%0.00529%0.29CS..THydrogen-bonded Turntrans-65.8-21.9171.7-155.3-178.4000112.9C941 T944 C952 L955 L956 F999 T1006C941-I1001 HydrophobicContact CB-CG2 4.42Å; C941-I1001 PolarHBondContact O-N 3.27Å; T944-I1001 VanDerWaalsContact O-CA 3.26Å; T944-I1001 WeakPolarHBondContact O-CA 3.43Å; T944-I1001 PolarHBondContact O-N 3.36Å; C952-I1001 HydrophobicContact CB-CD1 4.3Å; C952-I1001 HydrophobicContact CB-CG1 4.32Å; L955-I1001 HydrophobicContact CB-CD1 4.19Å; L955-I1001 HydrophobicContact CD2-CD1 3.7Å; L955-I1001 HydrophobicContact CG-CD1 4.15Å; L956-I1001 HydrophobicContact CD2-CG2 4.17Å; F999-I1001 HydrophobicContact CB-CG2 4.19Å; F999-I1001 PolarHBondContact O-N 2.84Å; I1001-T1006 PolarHBondContact O-OG1 2.92Å
1002V84.2Confident80.2Confident4 Ų456.9 Ų56.92%0.02429%0.285CS..  trans-88.1108.3175.3-174.70000108.5L976 D979 I980 Q983 F999 S1000 A1007 A1010L976-V1002 HydrophobicContact CD2-CG2 3.86Å; D979-V1002 HydrophobicContact CB-CB 4.05Å; D979-V1002 HydrophobicContact CB-CG1 4.06Å; D979-V1002 HydrophobicContact CB-CG2 4.3Å; I980-V1002 HydrophobicContact CG1-CG1 3.91Å; Q983-V1002 HydrophobicContact CG-CG1 4.38Å; F999-V1002 HydrophobicContact CB-CG2 4.4Å; F999-V1002 PolarHBondContact O-N 3.49Å; S1000-V1002 PolarHBondContact O-N 2.85Å; V1002-A1007 HydrophobicContact CG1-CB 4.09Å; V1002-A1010 HydrophobicContact CG2-CB 4.35Å
1003N84.9Confident81.3Confident25 Ų2548.8 Ų48.813%0.13425%0.248CC..  trans-134.5174.8177.464.156.4000110.1F946 K1005 T1006 A1007F946-N1003 PolarHBondContact O-ND2 2.92Å; N1003-K1005 PolarHBondContact O-N 3.07Å; N1003-K1005 PolarHBondContact OD1-N 2.99Å; N1003-T1006 PolarHBondContact N-OG1 3.39Å; N1003-T1006 PolarHBondContact O-N 2.98Å; N1003-T1006 PolarHBondContact O-OG1 2.93Å; N1003-T1006 PolarHBondContact OD1-N 3.13Å; N1003-T1006 PolarHBondContact OD1-OG1 3.44Å; N1003-A1007 VanDerWaalsContact O-CB 3.28Å; N1003-A1007 WeakPolarHBondContact O-CB 3.42Å; N1003-A1007 PolarHBondContact O-N 2.82Å
1004M82.5Confident82.1Confident111 Ų11146.8 Ų46.855%0.54724%0.236SC..THydrogen-bonded Turntrans-50.4-26.9-178.4-67.3-98.561.300116.2Q983 L984Q983-M1004 WeakPolarHBondContact O-CE 3.39Å; L984-M1004 HydrophobicContact CD2-CE 3.69Å; L984-M1004 HydrophobicContact CG-CE 4.43Å
1005K82.9Confident83.1Confident123 Ų12340.2 Ų40.254%0.53521%0.205SC..THydrogen-bonded Turntrans-97.4-26.9179.2-73166.2-180161.10113E947 N1003E947-K1005 HydrophobicContact CB-CD 3.94Å; E947-K1005 VanDerWaalsContact CD-CD 3.45Å; E947-K1005 HydrophobicContact CG-CD 4.04Å; E947-K1005 WeakPolarHBondContact OE1-CD 3.31Å; E947-K1005 WeakPolarHBondContact OE1-CE 3.35Å; E947-K1005 IonicContact OE1-NZ 3.29Å; E947-K1005 PolarHBondContact OE1-NZ 3.13Å; E947-K1005 WeakPolarHBondContact OE2-CD 3.48Å; E947-K1005 IonicContact OE2-NZ 3.62Å; E947-K1005 PolarHBondContact OE2-NZ 3.46Å; N1003-K1005 PolarHBondContact O-N 3.07Å; N1003-K1005 PolarHBondContact OD1-N 2.99Å
1006T84.6Confident84.4Confident0 Ų034.3 Ų34.30%019%0.186CC..THydrogen-bonded Turntrans-94.2-23.4180600000113.8F946 C952 I1001 N1003 T1008 A1009 A1010F946-T1006 VanDerWaalsContact O-CG2 3.31Å; F946-T1006 WeakPolarHBondContact O-CG2 3.28Å; C952-T1006 HydrophobicContact CB-CG2 3.79Å; I1001-T1006 PolarHBondContact O-OG1 2.92Å; N1003-T1006 PolarHBondContact N-OG1 3.39Å; N1003-T1006 PolarHBondContact O-N 2.98Å; N1003-T1006 PolarHBondContact O-OG1 2.93Å; N1003-T1006 PolarHBondContact OD1-N 3.13Å; N1003-T1006 PolarHBondContact OD1-OG1 3.44Å; T1006-T1008 VanDerWaalsContact C-N 3.34Å; T1006-T1008 PolarHBondContact O-N 3.3Å; T1006-A1009 WeakPolarHBondContact O-CA 3.49Å; T1006-A1009 WeakPolarHBondContact O-CB 3.34Å; T1006-A1009 PolarHBondContact O-N 3.37Å; T1006-A1010 PolarHBondContact O-N 3.38Å
1007A85.9Confident85.5Confident0 Ų032 Ų320%018%0.175CC..Hα-helixtrans-54-41.6-173.300000113.9L984 V1002 N1003 A1009 A1010 A1011L984-A1007 HydrophobicContact CD1-CB 3.97Å; L984-A1007 HydrophobicContact CD2-CB 4.22Å; L984-A1007 HydrophobicContact CG-CB 3.91Å; V1002-A1007 HydrophobicContact CG1-CB 4.09Å; N1003-A1007 VanDerWaalsContact O-CB 3.28Å; N1003-A1007 WeakPolarHBondContact O-CB 3.42Å; N1003-A1007 PolarHBondContact O-N 2.82Å; A1007-A1009 VanDerWaalsContact C-N 3.29Å; A1007-A1009 PolarHBondContact O-N 2.87Å; A1007-A1010 PolarHBondContact O-N 3.09Å; A1007-A1011 WeakPolarHBondContact O-CB 3.47Å; A1007-A1011 PolarHBondContact O-N 3.17Å
1008T85.3Confident86.6Confident37 Ų3728 Ų2823%0.22715%0.148CC..Hα-helixtrans-65-31.5176.7-44.60000112.9T1006 L1012 C1084T1006-T1008 VanDerWaalsContact C-N 3.34Å; T1006-T1008 PolarHBondContact O-N 3.3Å; T1008-L1012 WeakPolarHBondContact O-CG 3.4Å; T1008-L1012 PolarHBondContact O-N 3.24Å; T1008-C1084 HydrophobicContact CG2-CB 4.09Å
1009A86.1Confident87Confident15 Ų1526.9 Ų26.912%0.12414%0.144CC..Hα-helixtrans-79-36.6176.100000111.9S949 T1006 A1007 L1013S949-A1009 WeakPolarHBondContact OG-CB 3.38Å; T1006-A1009 WeakPolarHBondContact O-CA 3.49Å; T1006-A1009 WeakPolarHBondContact O-CB 3.34Å; T1006-A1009 PolarHBondContact O-N 3.37Å; A1007-A1009 VanDerWaalsContact C-N 3.29Å; A1007-A1009 PolarHBondContact O-N 2.87Å; A1009-L1013 PolarHBondContact O-N 3.34Å
1010A87.9Confident87.3Confident0 Ų033.3 Ų33.30%017%0.169CC..Hα-helixtrans-61.2-46.4170.500000111.1L956 I980 V1002 T1006 A1007 L1012 L1013 V1014L956-A1010 HydrophobicContact CD1-CB 3.71Å; I980-A1010 HydrophobicContact CD1-CB 4.12Å; I980-A1010 HydrophobicContact CG1-CB 4.36Å; V1002-A1010 HydrophobicContact CG2-CB 4.35Å; T1006-A1010 PolarHBondContact O-N 3.38Å; A1007-A1010 PolarHBondContact O-N 3.09Å; A1010-L1012 PolarHBondContact O-N 3.1Å; A1010-L1013 WeakPolarHBondContact O-CB 3.47Å; A1010-L1013 PolarHBondContact O-N 2.93Å; A1010-V1014 WeakPolarHBondContact O-CG2 3.26Å; A1010-V1014 PolarHBondContact O-N 3.02Å
1011A88.1Confident87.7Confident1 Ų131.6 Ų31.61%0.00816%0.156CC..Hα-helixtrans-56.7-44.1177.500000112.8I980 A1007 L1013 V1014 L1015I980-A1011 HydrophobicContact CD1-CB 4Å; I980-A1011 HydrophobicContact CG2-CB 4.33Å; A1007-A1011 WeakPolarHBondContact O-CB 3.47Å; A1007-A1011 PolarHBondContact O-N 3.17Å; A1011-L1013 VanDerWaalsContact C-N 3.31Å; A1011-L1013 PolarHBondContact O-N 3.39Å; A1011-V1014 PolarHBondContact O-N 3.48Å; A1011-L1015 WeakPolarHBondContact O-CB 3.46Å; A1011-L1015 VanDerWaalsContact O-CG 3.23Å; A1011-L1015 WeakPolarHBondContact O-CG 3.37Å; A1011-L1015 PolarHBondContact O-N 3.19Å
1012L89.7Confident88Confident59 Ų5931.5 Ų31.531%0.30916%0.156SC..Hα-helixtrans-62.9-34.9175.6-73.5171.8000113T1008 A1010 T1016 C1084T1008-L1012 WeakPolarHBondContact O-CG 3.4Å; T1008-L1012 PolarHBondContact O-N 3.24Å; A1010-L1012 PolarHBondContact O-N 3.1Å; L1012-T1016 PolarHBondContact O-N 3.38Å; L1012-T1016 VanDerWaalsContact O-N 3.1Å; L1012-T1016 PolarHBondContact O-OG1 2.98Å; L1012-C1084 HydrophobicContact CD2-CB 4.25Å; L1012-C1084 HydrophobicContact CG-CB 4.48Å
1013L88.8Confident88.3Confident24 Ų2434.8 Ų34.813%0.12617%0.173CC..Hα-helixtrans-73.1-43.5175.2-71.5175.7000112.3K953 L956 F960 A1009 A1010 A1011 L1015 T1016 Q1017K953-L1013 HydrophobicContact CB-CD1 4.3Å; K953-L1013 HydrophobicContact CG-CD1 3.92Å; K953-L1013 HydrophobicContact CG-CD2 4.16Å; K953-L1013 HydrophobicContact CG-CG 4.29Å; L956-L1013 HydrophobicContact CB-CD1 3.63Å; L956-L1013 HydrophobicContact CD1-CD1 4.21Å; F960-L1013 HydrophobicContact CE2-CB 4.1Å; A1009-L1013 PolarHBondContact O-N 3.34Å; A1010-L1013 WeakPolarHBondContact O-CB 3.47Å; A1010-L1013 PolarHBondContact O-N 2.93Å; A1011-L1013 VanDerWaalsContact C-N 3.31Å; A1011-L1013 PolarHBondContact O-N 3.39Å; L1013-L1015 VanDerWaalsContact C-N 3.33Å; L1013-L1015 PolarHBondContact O-N 3.16Å; L1013-T1016 WeakPolarHBondContact O-CB 2.9Å; L1013-T1016 PolarHBondContact O-N 2.9Å; L1013-Q1017 PolarHBondContact O-N 3.06Å
1014V92.1Very high88.6Confident0 Ų034 Ų340%017%0.169CC..Hα-helixtrans-55.8-48.9174.2167.10000109.8F960 L973 L976 I980 A1010 A1011 T1016 Q1017 V1018 L1074F960-V1014 HydrophobicContact CZ-CG2 4.16Å; L973-V1014 HydrophobicContact CD2-CB 4.32Å; L973-V1014 HydrophobicContact CD2-CG1 3.96Å; L973-V1014 HydrophobicContact CD2-CG2 4.35Å; L976-V1014 HydrophobicContact CB-CG2 3.96Å; L976-V1014 HydrophobicContact CD1-CG2 4.2Å; I980-V1014 HydrophobicContact CD1-CG2 4.12Å; A1010-V1014 WeakPolarHBondContact O-CG2 3.26Å; A1010-V1014 PolarHBondContact O-N 3.02Å; A1011-V1014 PolarHBondContact O-N 3.48Å; V1014-T1016 PolarHBondContact O-N 2.64Å; V1014-Q1017 CarbonylContact O-C 3.5Å; V1014-Q1017 PolarHBondContact O-N 3.15Å; V1014-V1018 HydrophobicContact CG1-CG2 4.48Å; V1014-V1018 WeakPolarHBondContact O-CG2 3.16Å; V1014-V1018 PolarHBondContact O-N 2.85Å; V1014-L1074 HydrophobicContact CG1-CD1 4.14Å
1015L91.1Very high89Confident1 Ų128.8 Ų28.81%0.00514%0.143CC..Hα-helixtrans-61-40.6175.9-69.3168.9000112.8A1011 L1013 Q1017 V1018 D1019 L1071 L1074 T1087 L1088 E1091A1011-L1015 WeakPolarHBondContact O-CB 3.46Å; A1011-L1015 VanDerWaalsContact O-CG 3.23Å; A1011-L1015 WeakPolarHBondContact O-CG 3.37Å; A1011-L1015 PolarHBondContact O-N 3.19Å; L1013-L1015 VanDerWaalsContact C-N 3.33Å; L1013-L1015 PolarHBondContact O-N 3.16Å; L1015-Q1017 PolarHBondContact O-N 3.28Å; L1015-V1018 WeakPolarHBondContact O-CB 3.38Å; L1015-V1018 PolarHBondContact O-N 2.91Å; L1015-D1019 PolarHBondContact O-N 2.65Å; L1015-L1071 HydrophobicContact CD2-CD2 4.42Å; L1015-L1074 HydrophobicContact CD2-CD1 4.14Å; L1015-L1074 HydrophobicContact CG-CD1 4.5Å; L1015-T1087 HydrophobicContact CB-CG2 4.04Å; L1015-T1087 HydrophobicContact CD1-CG2 4.03Å; L1015-L1088 HydrophobicContact CD1-CB 4.07Å; L1015-L1088 HydrophobicContact CD2-CB 4.29Å; L1015-L1088 HydrophobicContact CD2-CD1 3.79Å; L1015-E1091 HydrophobicContact CB-CG 4.13Å; L1015-E1091 HydrophobicContact CD2-CB 4.07Å; L1015-E1091 HydrophobicContact CD2-CG 3.89Å
1016T90.6Very high89.4Confident71 Ų7124.9 Ų24.944%0.43613%0.128SC..Hα-helixtrans-63.5-29.3174.7-54.40000112.2L1012 L1013 V1014L1012-T1016 PolarHBondContact O-N 3.38Å; L1012-T1016 VanDerWaalsContact O-N 3.1Å; L1012-T1016 PolarHBondContact O-OG1 2.98Å; L1013-T1016 WeakPolarHBondContact O-CB 2.9Å; L1013-T1016 PolarHBondContact O-N 2.9Å; V1014-T1016 PolarHBondContact O-N 2.64Å
1017Q90.3Very high89.6Confident5 Ų526.5 Ų26.52%0.02313%0.134CC..Hα-helixtrans-88.4-25.6178.3-168.756.947.300112.7F960 P969 L973 L1013 V1014 L1015 R1020 V1021F960-Q1017 HydrophobicContact CD1-CB 4.5Å; F960-Q1017 HydrophobicContact CD1-CG 3.94Å; F960-Q1017 HydrophobicContact CE1-CG 4.25Å; F960-Q1017 HydrophobicContact CG-CG 4.29Å; P969-Q1017 HydrophobicContact CB-CG 4.47Å; P969-Q1017 HydrophobicContact CG-CG 4.43Å; L973-Q1017 HydrophobicContact CD1-CG 4.4Å; L973-Q1017 HydrophobicContact CD2-CB 3.96Å; L973-Q1017 HydrophobicContact CD2-CG 4.08Å; L1013-Q1017 PolarHBondContact O-N 3.06Å; V1014-Q1017 CarbonylContact O-C 3.5Å; V1014-Q1017 PolarHBondContact O-N 3.15Å; L1015-Q1017 PolarHBondContact O-N 3.28Å; Q1017-R1020 VanDerWaalsContact OE1-CD 3.32Å; Q1017-R1020 VanDerWaalsContact OE1-NH1 3.13Å; Q1017-V1021 WeakPolarHBondContact O-CG2 3.23Å; Q1017-V1021 PolarHBondContact O-N 2.96Å; Q1017-V1021 VanDerWaalsContact O-N 3.1Å
1018V91.5Very high89.8Confident1 Ų126.6 Ų26.61%0.00614%0.135CC..Hα-helixtrans-60.3-49164.9164.30000110.3L973 V1014 L1015 R1020 V1021 L1022 L1067 L1071 E1091L973-V1018 HydrophobicContact CD1-CG2 4.24Å; V1014-V1018 HydrophobicContact CG1-CG2 4.48Å; V1014-V1018 WeakPolarHBondContact O-CG2 3.16Å; V1014-V1018 PolarHBondContact O-N 2.85Å; L1015-V1018 WeakPolarHBondContact O-CB 3.38Å; L1015-V1018 PolarHBondContact O-N 2.91Å; V1018-R1020 VanDerWaalsContact C-N 3.3Å; V1018-R1020 PolarHBondContact O-N 2.62Å; V1018-V1021 PolarHBondContact O-N 3.25Å; V1018-L1022 HydrophobicContact CG1-CD1 4Å; V1018-L1022 HydrophobicContact CG1-CG 4.49Å; V1018-L1022 WeakPolarHBondContact O-CG 3.4Å; V1018-L1022 PolarHBondContact O-N 3.39Å; V1018-L1067 HydrophobicContact CB-CD1 4.32Å; V1018-L1067 HydrophobicContact CG1-CD1 4.11Å; V1018-L1067 HydrophobicContact CG1-CD2 4.27Å; V1018-L1067 HydrophobicContact CG1-CG 4.42Å; V1018-L1067 HydrophobicContact CG2-CD1 3.92Å; V1018-L1071 HydrophobicContact CG1-CD1 4.42Å; V1018-L1071 HydrophobicContact CG1-CD2 4.39Å; V1018-E1091 HydrophobicContact CG1-CB 4.41Å
1019D90.7Very high89.9Confident47 Ų4725.3 Ų25.325%0.25113%0.126SC..Hα-helixtrans-52.9-46.1177.9-172.260.2000111.9L1015 L1022 D1023 E1091 R1094L1015-D1019 PolarHBondContact O-N 2.65Å; D1019-L1022 WeakPolarHBondContact O-CB 3.39Å; D1019-L1022 PolarHBondContact O-N 2.98Å; D1019-D1023 PolarHBondContact O-N 2.87Å; D1019-E1091 WeakPolarHBondContact CB-OE2 3.35Å; D1019-R1094 VanDerWaalsContact CG-NH1 3.27Å; D1019-R1094 WeakPolarHBondContact OD1-CD 3.35Å; D1019-R1094 IonicContact OD1-CZ 2.71Å; D1019-R1094 IonicContact OD1-NE 3.71Å; D1019-R1094 IonicContact OD1-NH1 3.21Å; D1019-R1094 PolarHBondContact OD1-NH1 3.41Å; D1019-R1094 IonicContact OD2-NH1 3.41Å; D1019-R1094 PolarHBondContact OD2-NH1 3.07Å
1020R89.6Confident89.9Confident138 Ų13827 Ų2752%0.52114%0.14SC..Hα-helixtrans-64.7-40.2175-71.2171.5169.6-177-5113.9Q1017 V1018 L1022 D1023 E1024Q1017-R1020 VanDerWaalsContact OE1-CD 3.32Å; Q1017-R1020 VanDerWaalsContact OE1-NH1 3.13Å; V1018-R1020 VanDerWaalsContact C-N 3.3Å; V1018-R1020 PolarHBondContact O-N 2.62Å; R1020-L1022 VanDerWaalsContact C-N 3.27Å; R1020-L1022 PolarHBondContact O-N 3.12Å; R1020-D1023 WeakPolarHBondContact O-CB 3.25Å; R1020-D1023 PolarHBondContact O-N 3.35Å; R1020-E1024 PolarHBondContact O-N 3.14Å; R1020-E1024 VanDerWaalsContact O-N 3.08Å
1021V90.6Very high89.6Confident0 Ų030.1 Ų30.10%015%0.152CC..Hα-helixtrans-64.9-35.6175.6163.90000110.7P969 L973 Q1017 V1018 E1024 V1025 Q1063 L1067P969-V1021 HydrophobicContact CG-CG2 3.71Å; L973-V1021 HydrophobicContact CD1-CG2 4.32Å; Q1017-V1021 WeakPolarHBondContact O-CG2 3.23Å; Q1017-V1021 PolarHBondContact O-N 2.96Å; Q1017-V1021 VanDerWaalsContact O-N 3.1Å; V1018-V1021 PolarHBondContact O-N 3.25Å; V1021-E1024 PolarHBondContact O-N 3.04Å; V1021-V1025 WeakPolarHBondContact O-CG2 3.28Å; V1021-V1025 PolarHBondContact O-N 3.12Å; V1021-V1025 VanDerWaalsContact O-N 3.1Å; V1021-Q1063 HydrophobicContact CG1-CG 3.92Å; V1021-L1067 HydrophobicContact CB-CD1 4.4Å; V1021-L1067 HydrophobicContact CG1-CD1 3.95Å
1022L91.3Very high89.3Confident0 Ų031.9 Ų31.90%016%0.16CC..Hα-helixtrans-68-38.1173.4-66.7169.4000111.9V1018 D1019 R1020 V1025 D1026 L1064 L1067 R1094 T1098V1018-L1022 HydrophobicContact CG1-CD1 4Å; V1018-L1022 HydrophobicContact CG1-CG 4.49Å; V1018-L1022 WeakPolarHBondContact O-CG 3.4Å; V1018-L1022 PolarHBondContact O-N 3.39Å; D1019-L1022 WeakPolarHBondContact O-CB 3.39Å; D1019-L1022 PolarHBondContact O-N 2.98Å; R1020-L1022 VanDerWaalsContact C-N 3.27Å; R1020-L1022 PolarHBondContact O-N 3.12Å; L1022-V1025 PolarHBondContact O-N 2.8Å; L1022-D1026 WeakPolarHBondContact O-CB 3.44Å; L1022-D1026 PolarHBondContact O-N 2.89Å; L1022-L1064 HydrophobicContact CD2-CD2 4.11Å; L1022-L1067 HydrophobicContact CD1-CD2 4.49Å; L1022-L1067 HydrophobicContact CD2-CD2 3.52Å; L1022-L1067 HydrophobicContact CG-CD2 3.93Å; L1022-R1094 HydrophobicContact CD1-CB 4.23Å; L1022-R1094 HydrophobicContact CD1-CG 3.95Å; L1022-T1098 HydrophobicContact CD2-CG2 4.07Å
1023D90.8Very high88.9Confident73 Ų7333.8 Ų33.839%0.3917%0.165SC..Hα-helixtrans-57.4-47.4170.7-86.5-50000112.4D1019 R1020 V1025 W1027 R1094D1019-D1023 PolarHBondContact O-N 2.87Å; R1020-D1023 WeakPolarHBondContact O-CB 3.25Å; R1020-D1023 PolarHBondContact O-N 3.35Å; D1023-V1025 VanDerWaalsContact C-N 3.33Å; D1023-V1025 PolarHBondContact O-N 2.69Å; D1023-W1027 VanDerWaalsContact O-CB 3.3Å; D1023-W1027 WeakPolarHBondContact O-CB 3.25Å; D1023-W1027 PolarHBondContact O-N 2.99Å; D1023-R1094 IonicContact OD1-CZ 2.85Å; D1023-R1094 IonicContact OD1-NH1 2.77Å; D1023-R1094 IonicContact OD1-NH2 3.92Å; D1023-R1094 PolarHBondContact OD1-NH2 2.68Å; D1023-R1094 IonicContact OD2-CZ 3.7Å; D1023-R1094 IonicContact OD2-NH1 3.82Å; D1023-R1094 PolarHBondContact OD2-NH1 2.78Å; D1023-R1094 IonicContact OD2-NH2 3.12Å; D1023-R1094 PolarHBondContact OD2-NH2 2.9Å
1024E90.5Very high88Confident9 Ų935.1 Ų35.14%0.04218%0.177CC..Hα-helixtrans-59.8-42.3176.7-68.9179.5-142.800111.8L246 S250 L253 R1020 V1021 L1028L246-E1024 HydrophobicContact CD1-CG 4.29Å; S250-E1024 WeakPolarHBondContact CB-OE1 3.38Å; S250-E1024 WeakPolarHBondContact CB-OE2 3.28Å; S250-E1024 VanDerWaalsContact OG-CD 3.27Å; S250-E1024 PolarHBondContact OG-OE1 3.19Å; S250-E1024 PolarHBondContact OG-OE2 3.46Å; L253-E1024 HydrophobicContact CD1-CB 4.44Å; L253-E1024 HydrophobicContact CD1-CG 4.08Å; L253-E1024 HydrophobicContact CD2-CB 4.5Å; R1020-E1024 PolarHBondContact O-N 3.14Å; R1020-E1024 VanDerWaalsContact O-N 3.08Å; V1021-E1024 PolarHBondContact O-N 3.04Å; E1024-L1028 WeakPolarHBondContact O-CG 3.49Å; E1024-L1028 PolarHBondContact O-N 3.19Å
1025V91.3Very high87Confident0 Ų038.8 Ų38.80%019%0.194CC..Hα-helixtrans-69.9-47.6-180169.60000112.4V1021 L1022 D1023 W1027 L1028 I1029 V1060 Q1063 L1064 T1098V1021-V1025 WeakPolarHBondContact O-CG2 3.28Å; V1021-V1025 PolarHBondContact O-N 3.12Å; V1021-V1025 VanDerWaalsContact O-N 3.1Å; L1022-V1025 PolarHBondContact O-N 2.8Å; D1023-V1025 VanDerWaalsContact C-N 3.33Å; D1023-V1025 PolarHBondContact O-N 2.69Å; V1025-W1027 PolarHBondContact O-N 3.35Å; V1025-L1028 PolarHBondContact O-N 2.95Å; V1025-I1029 HydrophobicContact CG1-CD1 3.71Å; V1025-I1029 HydrophobicContact CG1-CG1 4.41Å; V1025-I1029 VanDerWaalsContact O-CG1 3.3Å; V1025-I1029 WeakPolarHBondContact O-CG1 3.33Å; V1025-I1029 PolarHBondContact O-N 3.41Å; V1025-V1060 HydrophobicContact CG1-CG1 3.84Å; V1025-Q1063 HydrophobicContact CG2-CG 4.36Å; V1025-Q1063 VanDerWaalsContact CG2-OE1 3.25Å; V1025-L1064 HydrophobicContact CG1-CD1 3.95Å; V1025-L1064 HydrophobicContact CG1-CD2 4.08Å; V1025-L1064 HydrophobicContact CG1-CG 4.02Å; V1025-T1098 HydrophobicContact CB-CG2 4.35Å; V1025-T1098 HydrophobicContact CG1-CG2 3.71Å
1026D90.8Very high85.7Confident41 Ų4140.2 Ų40.222%0.21920%0.203CC..Hα-helixtrans-62.2-35177.1-90.8-52000111.4L1022 I1029 A1030 T1098 T1101L1022-D1026 WeakPolarHBondContact O-CB 3.44Å; L1022-D1026 PolarHBondContact O-N 2.89Å; D1026-I1029 PolarHBondContact O-N 2.9Å; D1026-A1030 VanDerWaalsContact O-CB 3.3Å; D1026-A1030 WeakPolarHBondContact O-CB 3.44Å; D1026-A1030 PolarHBondContact O-N 3.32Å; D1026-T1098 WeakPolarHBondContact OD2-CB 3.45Å; D1026-T1098 WeakPolarHBondContact OD2-CG2 3.43Å; D1026-T1098 PolarHBondContact OD2-OG1 3.17Å; D1026-T1101 PolarHBondContact OD1-OG1 2.86Å
1027W89.3Confident84.1Confident34 Ų3440 Ų4013%0.12921%0.208CC..Hα-helixtrans-64.6-45.2173.3-178.189.4000112.4D243 L246 L253 L257 D1023 V1025 I1029 A1030 R1031D243-W1027 HydrophobicContact CB-CZ2 3.91Å; D243-W1027 VanDerWaalsContact CG-NE1 3.3Å; D243-W1027 PolarHBondContact OD1-NE1 3.27Å; L246-W1027 HydrophobicContact CD2-CB 3.8Å; L246-W1027 HydrophobicContact CD2-CD2 3.67Å; L246-W1027 HydrophobicContact CD2-CE3 4.12Å; L246-W1027 HydrophobicContact CD2-CG 3.49Å; L246-W1027 VanDerWaalsContact CD2-CG 3.49Å; L253-W1027 HydrophobicContact CD1-CE3 4.36Å; L253-W1027 HydrophobicContact CD1-CZ3 4.32Å; L253-W1027 HydrophobicContact CD2-CE3 4.35Å; L253-W1027 HydrophobicContact CD2-CZ3 4.23Å; L257-W1027 HydrophobicContact CD1-CH2 3.54Å; L257-W1027 HydrophobicContact CD1-CZ3 3.4Å; L257-W1027 VanDerWaalsContact CD1-CZ3 3.4Å; D1023-W1027 VanDerWaalsContact O-CB 3.3Å; D1023-W1027 WeakPolarHBondContact O-CB 3.25Å; D1023-W1027 PolarHBondContact O-N 2.99Å; V1025-W1027 PolarHBondContact O-N 3.35Å; W1027-I1029 PolarHBondContact O-N 3.48Å; W1027-A1030 PolarHBondContact O-N 3.49Å; W1027-R1031 WeakPolarHBondContact O-CB 3.25Å; W1027-R1031 PolarHBondContact O-N 3.39Å
1028L88.9Confident82.2Confident2 Ų243.2 Ų43.21%0.0123%0.231CC..Hα-helixtrans-60.6-43.5174.4-75.1175.8000112.1F252 L253 L256 L257 E1024 V1025 R1031 K1032 V1056 V1060F252-L1028 HydrophobicContact CE1-CD1 3.75Å; F252-L1028 HydrophobicContact CZ-CD1 4.3Å; L253-L1028 HydrophobicContact CD2-CD1 3.78Å; L253-L1028 HydrophobicContact CD2-CD2 3.86Å; L253-L1028 HydrophobicContact CD2-CG 3.79Å; L256-L1028 HydrophobicContact CD1-CD1 4.29Å; L257-L1028 HydrophobicContact CD1-CD2 3.93Å; L257-L1028 HydrophobicContact CG-CD2 4.49Å; E1024-L1028 WeakPolarHBondContact O-CG 3.49Å; E1024-L1028 PolarHBondContact O-N 3.19Å; V1025-L1028 PolarHBondContact O-N 2.95Å; L1028-R1031 PolarHBondContact O-N 3.43Å; L1028-K1032 PolarHBondContact O-N 3.37Å; L1028-V1056 HydrophobicContact CB-CG1 4.26Å; L1028-V1056 HydrophobicContact CD1-CG1 4.36Å; L1028-V1056 HydrophobicContact CD2-CG1 3.98Å; L1028-V1056 HydrophobicContact CG-CG1 4.45Å; L1028-V1060 HydrophobicContact CB-CG2 3.94Å; L1028-V1060 HydrophobicContact CD1-CG2 3.8Å
1029I88.4Confident79.8Confident10 Ų1050 Ų505%0.05126%0.263CS..Hα-helixtrans-62.1-44.6176.3-66.1163.5000110.5V1025 D1026 W1027 K1032 K1033 V1060 T1098 L1102V1025-I1029 HydrophobicContact CG1-CD1 3.71Å; V1025-I1029 HydrophobicContact CG1-CG1 4.41Å; V1025-I1029 VanDerWaalsContact O-CG1 3.3Å; V1025-I1029 WeakPolarHBondContact O-CG1 3.33Å; V1025-I1029 PolarHBondContact O-N 3.41Å; D1026-I1029 PolarHBondContact O-N 2.9Å; W1027-I1029 PolarHBondContact O-N 3.48Å; I1029-K1032 PolarHBondContact O-N 2.87Å; I1029-K1033 VanDerWaalsContact O-CB 3.27Å; I1029-K1033 WeakPolarHBondContact O-CB 3.29Å; I1029-K1033 PolarHBondContact O-N 2.91Å; I1029-V1060 HydrophobicContact CD1-CG1 4.38Å; I1029-V1060 HydrophobicContact CG1-CG1 4.31Å; I1029-T1098 HydrophobicContact CD1-CG2 4.31Å; I1029-L1102 HydrophobicContact CD1-CB 3.88Å; I1029-L1102 HydrophobicContact CD1-CD1 4.09Å; I1029-L1102 HydrophobicContact CG1-CD1 4.07Å
1030A86.1Confident77.4Confident51 Ų5154.1 Ų54.142%0.42128%0.279SS..Hα-helixtrans-64.8-39.6177.800000112.6D1026 W1027 S1034D1026-A1030 VanDerWaalsContact O-CB 3.3Å; D1026-A1030 WeakPolarHBondContact O-CB 3.44Å; D1026-A1030 PolarHBondContact O-N 3.32Å; W1027-A1030 PolarHBondContact O-N 3.49Å; A1030-S1034 PolarHBondContact O-N 2.86Å; A1030-S1034 VanDerWaalsContact O-N 3.16Å; A1030-S1034 PolarHBondContact O-OG 2.91Å
1031R81.2Confident74.7Confident66 Ų6654.4 Ų54.425%0.24930%0.298CS..Hα-helixtrans-62.5-50.5174.8-172.9176.6179.9107.7-1.2111W1027 L1028 K1033 S1034 Q1035W1027-R1031 WeakPolarHBondContact O-CB 3.25Å; W1027-R1031 PolarHBondContact O-N 3.39Å; L1028-R1031 PolarHBondContact O-N 3.43Å; R1031-K1033 PolarHBondContact O-N 3.3Å; R1031-S1034 WeakPolarHBondContact O-CB 3.14Å; R1031-S1034 PolarHBondContact O-N 2.66Å; R1031-S1034 VanDerWaalsContact O-N 3.12Å; R1031-Q1035 PolarHBondContact O-N 3.37Å; R1031-Q1035 VanDerWaalsContact O-N 3.13Å
1032K81.6Confident71.8Confident37 Ų3757.7 Ų57.716%0.16133%0.332CS..Hα-helixtrans-62.1-44178-79.3-77.3161.8177.80112.6L1028 I1029 S1034 Q1035 T1036 D1054 V1056 Y1105L1028-K1032 PolarHBondContact O-N 3.37Å; I1029-K1032 PolarHBondContact O-N 2.87Å; K1032-S1034 PolarHBondContact O-N 3.47Å; K1032-Q1035 VanDerWaalsContact CE-OE1 3.28Å; K1032-Q1035 WeakPolarHBondContact O-CB 3.46Å; K1032-Q1035 PolarHBondContact O-N 2.73Å; K1032-T1036 PolarHBondContact O-N 2.94Å; K1032-T1036 PolarHBondContact O-OG1 2.91Å; K1032-T1036 VanDerWaalsContact O-OG1 3.05Å; K1032-D1054 WeakPolarHBondContact CD-OD2 3.47Å; K1032-D1054 VanDerWaalsContact CE-OD2 3.26Å; K1032-D1054 WeakPolarHBondContact CE-OD2 3.38Å; K1032-D1054 IonicContact NZ-OD1 3.86Å; K1032-D1054 PolarHBondContact NZ-OD1 3.24Å; K1032-D1054 IonicContact NZ-OD2 3.89Å; K1032-D1054 PolarHBondContact NZ-OD2 3.04Å; K1032-V1056 HydrophobicContact CG-CG1 4.07Å; K1032-Y1105 HydrophobicContact CB-CE2 3.91Å
1033K80.6Confident68.7Low99 Ų9962 Ų6243%0.4336%0.362SS..Hα-helixtrans-56.5-33174.1-172.2-177.1176.5-171.40113.2I1029 R1031 A1037 Y1105I1029-K1033 VanDerWaalsContact O-CB 3.27Å; I1029-K1033 WeakPolarHBondContact O-CB 3.29Å; I1029-K1033 PolarHBondContact O-N 2.91Å; R1031-K1033 PolarHBondContact O-N 3.3Å; K1033-A1037 PolarHBondContact O-N 3.03Å; K1033-Y1105 HydrophobicContact CB-CD2 4.04Å
1034S72Confident65.8Low53 Ų5362.2 Ų62.237%0.37137%0.374SS..Hα-helixtrans-73.3-39.7176.4-520000111.7A1030 R1031 K1032 A1037A1030-S1034 PolarHBondContact O-N 2.86Å; A1030-S1034 VanDerWaalsContact O-N 3.16Å; A1030-S1034 PolarHBondContact O-OG 2.91Å; R1031-S1034 WeakPolarHBondContact O-CB 3.14Å; R1031-S1034 PolarHBondContact O-N 2.66Å; R1031-S1034 VanDerWaalsContact O-N 3.12Å; K1032-S1034 PolarHBondContact O-N 3.47Å; S1034-A1037 PolarHBondContact O-N 3.26Å
1035Q69.6Low62.8Low76 Ų7669 Ų6936%0.35541%0.411SS..Hα-helixtrans-63.7-48.5175.5-67.9177.4-34.300111.9R1031 K1032 A1037 S1038 E1039R1031-Q1035 PolarHBondContact O-N 3.37Å; R1031-Q1035 VanDerWaalsContact O-N 3.13Å; K1032-Q1035 VanDerWaalsContact CE-OE1 3.28Å; K1032-Q1035 WeakPolarHBondContact O-CB 3.46Å; K1032-Q1035 PolarHBondContact O-N 2.73Å; Q1035-A1037 PolarHBondContact O-N 3.4Å; Q1035-S1038 PolarHBondContact O-N 2.96Å; Q1035-E1039 PolarHBondContact O-N 2.84Å
1036T64Low59.9Low31 Ų3172.3 Ų72.319%0.1944%0.438CS..THydrogen-bonded Turntrans-63.4-14178-42.80000113.6K1032K1032-T1036 PolarHBondContact O-N 2.94Å; K1032-T1036 PolarHBondContact O-OG1 2.91Å; K1032-T1036 VanDerWaalsContact O-OG1 3.05Å
1037A57.8Low57.1Low67 Ų6775.1 Ų75.155%0.55446%0.461SS*.THydrogen-bonded Turntrans-90.2-12.7173.500000113.7K1033 S1034 Q1035K1033-A1037 PolarHBondContact O-N 3.03Å; S1034-A1037 PolarHBondContact O-N 3.26Å; Q1035-A1037 PolarHBondContact O-N 3.4Å
1038S49.4Very low54.4Low72 Ų7282.6 Ų82.650%0.50350%0.498SS..THydrogen-bonded Turntrans-99.5-33.2-178.7-159.60000112.8Q1035 K1040Q1035-S1038 PolarHBondContact O-N 2.96Å; S1038-K1040 PolarHBondContact O-N 3.23Å; S1038-K1040 VanDerWaalsContact O-N 3.08Å
1039E42.5Very low51.7Low145 Ų14586 Ų8668%0.67853%0.525SS*.  trans-62109.5178.1-70.8178.2171.900112.1Q1035Q1035-E1039 PolarHBondContact O-N 2.84Å
1040K40.2Very low49Very low132 Ų13290.4 Ų90.457%0.57456%0.563SS**  trans-66.7138.4169.1-73.8-179.8-179.6173.40109.5S1038 G1042S1038-K1040 PolarHBondContact O-N 3.23Å; S1038-K1040 VanDerWaalsContact O-N 3.08Å; K1040-G1042 PolarHBondContact O-N 3.01Å
1041P31.8Very low46.9Very low144 Ų14491.6 Ų91.694%0.93558%0.581SS**THydrogen-bonded Turntrans-78.353.9-179.134.6-38.1000112.5
1042G29.8Very low45.1Very low69 Ų6997.3 Ų97.371%0.71161%0.61SS**THydrogen-bonded Turntrans-149.11.2-165.200000118.5K1040K1040-G1042 PolarHBondContact O-N 3.01Å
1043S26.8Very low44Very low90 Ų9099.3 Ų99.363%0.62962%0.62SS**  trans-84.1112.9169.544.30000110.4D1045S1043-D1045 PolarHBondContact O-N 3.43Å
1044A29.6Very low43.7Very low78 Ų7896.6 Ų96.665%0.64561%0.61SS**G310 helixtrans-68.8-13.2-173.300000114.6A1046 S1047A1044-A1046 VanDerWaalsContact C-N 3.3Å; A1044-A1046 PolarHBondContact O-N 3.09Å; A1044-S1047 PolarHBondContact O-OG 3.19Å
1045D27.2Very low44.1Very low153 Ų15398 Ų9882%0.81862%0.618SS**G310 helixtrans-79.8-6-176.9-60.7-43000114.1S1043 S1047S1043-D1045 PolarHBondContact O-N 3.43Å; D1045-S1047 PolarHBondContact O-N 3.04Å
1046A30.6Very low44.8Very low68 Ų6894.7 Ų94.756%0.56260%0.603SS**G310 helixtrans-64.2-4.7172.600000114.1A1044 Q1048A1044-A1046 VanDerWaalsContact C-N 3.3Å; A1044-A1046 PolarHBondContact O-N 3.09Å; A1046-Q1048 VanDerWaalsContact C-N 3.26Å; A1046-Q1048 PolarHBondContact O-N 2.69Å
1047S32.6Very low45.7Very low101 Ų10194.8 Ų94.871%0.70660%0.602SS**G310 helixtrans-66.7-13.8-173.9-57.50000115.5A1044 D1045A1044-S1047 PolarHBondContact O-OG 3.19Å; D1045-S1047 PolarHBondContact O-N 3.04Å
1048Q32.8Very low47.1Very low191 Ų19196.2 Ų96.289%0.89360%0.595SS**G310 helixtrans-114.9-4.5-177.2-65.4-168.4-0.200115.2A1046A1046-Q1048 VanDerWaalsContact C-N 3.26Å; A1046-Q1048 PolarHBondContact O-N 2.69Å
1049A30.7Very low48.9Very low72 Ų7293.4 Ų93.460%0.59558%0.577SS**  trans-98.80.9-177.700000114.8G1051 Q1052A1049-G1051 PolarHBondContact O-N 2.81Å; A1049-Q1052 PolarHBondContact O-N 3.42Å
1050A33.1Very low51.2Low103 Ų10386.8 Ų86.885%0.85155%0.546SS*.THydrogen-bonded Turntrans-65.78.4-168.700000116.9
1051G40.8Very low53.5Low76 Ų7680.9 Ų80.978%0.78452%0.521SS*.THydrogen-bonded Turntrans-117.9-12.1-177.900000116.1A1049A1049-G1051 PolarHBondContact O-N 2.81Å
1052Q44.5Very low56.2Low186 Ų18679.1 Ų79.187%0.86950%0.503SS*.SBendtrans-98.6117.2179.1-67.8-167.90.900110.7A1049 D1054A1049-Q1052 PolarHBondContact O-N 3.42Å; Q1052-D1054 PolarHBondContact O-N 3.39Å
1053Q56.7Low59.1Low80 Ų8076.2 Ų76.237%0.37447%0.471SS..PPolyproline II helixtrans-60.9133.4171.8-72.3179.7-21.700110R1120Q1053-R1120 VanDerWaalsContact OE1-NE 3.1Å
1054D74.6Confident62.1Low41 Ų4172 Ų7222%0.21944%0.441CS..PPolyproline II helixtrans-49.8122.8174.8-176.2-26.3000109.9K1032 Q1052 V1056 E1057 K1058K1032-D1054 WeakPolarHBondContact CD-OD2 3.47Å; K1032-D1054 VanDerWaalsContact CE-OD2 3.26Å; K1032-D1054 WeakPolarHBondContact CE-OD2 3.38Å; K1032-D1054 IonicContact NZ-OD1 3.86Å; K1032-D1054 PolarHBondContact NZ-OD1 3.24Å; K1032-D1054 IonicContact NZ-OD2 3.89Å; K1032-D1054 PolarHBondContact NZ-OD2 3.04Å; Q1052-D1054 PolarHBondContact O-N 3.39Å; D1054-V1056 PolarHBondContact O-N 2.65Å; D1054-V1056 VanDerWaalsContact O-N 3.16Å; D1054-V1056 WeakPolarHBondContact OD1-CB 3.27Å; D1054-V1056 PolarHBondContact OD1-N 3.22Å; D1054-E1057 HydrophobicContact CB-CB 4.14Å; D1054-E1057 HydrophobicContact CB-CG 3.97Å; D1054-E1057 PolarHBondContact O-N 3.48Å; D1054-K1058 WeakPolarHBondContact O-CB 3.43Å; D1054-K1058 PolarHBondContact O-N 3.31Å
1055P80.9Confident65.1Low83 Ų8368.9 Ų68.954%0.53942%0.417SS..Hα-helixtrans-58.7-29.7-177.223.3-33.8000112.4A1059P1055-A1059 VanDerWaalsContact O-CB 3.29Å; P1055-A1059 WeakPolarHBondContact O-CB 3.35Å; P1055-A1059 PolarHBondContact O-N 2.82Å
1056V83.8Confident68.1Low6 Ų663.4 Ų63.44%0.03639%0.39CS..Hα-helixtrans-72.7-45.4178.4-176.90000111.2L257 L1028 K1032 D1054 K1058 A1059 V1060L257-V1056 HydrophobicContact CD2-CG2 4.4Å; L1028-V1056 HydrophobicContact CB-CG1 4.26Å; L1028-V1056 HydrophobicContact CD1-CG1 4.36Å; L1028-V1056 HydrophobicContact CD2-CG1 3.98Å; L1028-V1056 HydrophobicContact CG-CG1 4.45Å; K1032-V1056 HydrophobicContact CG-CG1 4.07Å; D1054-V1056 PolarHBondContact O-N 2.65Å; D1054-V1056 VanDerWaalsContact O-N 3.16Å; D1054-V1056 WeakPolarHBondContact OD1-CB 3.27Å; D1054-V1056 PolarHBondContact OD1-N 3.22Å; V1056-K1058 VanDerWaalsContact C-N 3.31Å; V1056-K1058 PolarHBondContact O-N 3.23Å; V1056-A1059 PolarHBondContact O-N 3.08Å; V1056-V1060 HydrophobicContact CG1-CG2 4.47Å; V1056-V1060 WeakPolarHBondContact O-CB 3.25Å; V1056-V1060 WeakPolarHBondContact O-CG2 3.44Å; V1056-V1060 PolarHBondContact O-N 3.01Å
1057E84.3Confident71Confident34 Ų3460.2 Ų60.216%0.15936%0.363CS..Hα-helixtrans-61.6-42175.4-71.5-171.3179.100111.6D1054 A1059 T1061 Y1105 Y1106D1054-E1057 HydrophobicContact CB-CB 4.14Å; D1054-E1057 HydrophobicContact CB-CG 3.97Å; D1054-E1057 PolarHBondContact O-N 3.48Å; E1057-A1059 VanDerWaalsContact C-N 3.31Å; E1057-A1059 PolarHBondContact O-N 3.32Å; E1057-T1061 WeakPolarHBondContact O-CB 3.47Å; E1057-T1061 WeakPolarHBondContact O-CG2 3.44Å; E1057-T1061 PolarHBondContact O-N 2.96Å; E1057-T1061 PolarHBondContact O-OG1 3.04Å; E1057-Y1105 HydrophobicContact CG-CE1 4.31Å; E1057-Y1105 WeakPolarHBondContact OE1-CE1 3.15Å; E1057-Y1105 PolarHBondContact OE1-OH 2.98Å; E1057-Y1105 VanDerWaalsContact OE1-OH 3.1Å; E1057-Y1106 PolarHBondContact OE2-OH 3.5Å
1058K87Confident73.9Confident96 Ų9655.5 Ų55.542%0.41733%0.33SS..Hα-helixtrans-61-39.4175.4177.8-175169.3-167.20111.8D1054 V1056 T1061 L1062D1054-K1058 WeakPolarHBondContact O-CB 3.43Å; D1054-K1058 PolarHBondContact O-N 3.31Å; V1056-K1058 VanDerWaalsContact C-N 3.31Å; V1056-K1058 PolarHBondContact O-N 3.23Å; K1058-T1061 PolarHBondContact O-OG1 3.22Å; K1058-L1062 WeakPolarHBondContact O-CB 3.5Å; K1058-L1062 PolarHBondContact O-N 3.24Å
1059A87.3Confident76.7Confident14 Ų1448.8 Ų48.812%0.11630%0.302CS..Hα-helixtrans-72.1-48.2178.600000112.2F252 L256 P1055 V1056 E1057 T1061 L1062 Q1063F252-A1059 HydrophobicContact CE2-CB 3.91Å; F252-A1059 HydrophobicContact CZ-CB 3.9Å; L256-A1059 HydrophobicContact CD1-CB 3.62Å; L256-A1059 HydrophobicContact CD2-CB 3.76Å; L256-A1059 HydrophobicContact CG-CB 4.35Å; P1055-A1059 VanDerWaalsContact O-CB 3.29Å; P1055-A1059 WeakPolarHBondContact O-CB 3.35Å; P1055-A1059 PolarHBondContact O-N 2.82Å; V1056-A1059 PolarHBondContact O-N 3.08Å; E1057-A1059 VanDerWaalsContact C-N 3.31Å; E1057-A1059 PolarHBondContact O-N 3.32Å; A1059-T1061 PolarHBondContact O-N 2.98Å; A1059-L1062 PolarHBondContact O-N 2.97Å; A1059-Q1063 WeakPolarHBondContact O-CB 3.06Å; A1059-Q1063 PolarHBondContact O-N 3.01Å
1060V89.4Confident79.6Confident5 Ų545.4 Ų45.43%0.0327%0.274CS..Hα-helixtrans-56.9-47176.3164.10000111.4V1025 L1028 I1029 V1056 L1062 Q1063 L1064 L1102V1025-V1060 HydrophobicContact CG1-CG1 3.84Å; L1028-V1060 HydrophobicContact CB-CG2 3.94Å; L1028-V1060 HydrophobicContact CD1-CG2 3.8Å; I1029-V1060 HydrophobicContact CD1-CG1 4.38Å; I1029-V1060 HydrophobicContact CG1-CG1 4.31Å; V1056-V1060 HydrophobicContact CG1-CG2 4.47Å; V1056-V1060 WeakPolarHBondContact O-CB 3.25Å; V1056-V1060 WeakPolarHBondContact O-CG2 3.44Å; V1056-V1060 PolarHBondContact O-N 3.01Å; V1060-L1062 VanDerWaalsContact C-N 3.33Å; V1060-L1062 PolarHBondContact O-N 3.47Å; V1060-Q1063 PolarHBondContact O-N 3.07Å; V1060-L1064 HydrophobicContact CG1-CD1 3.92Å; V1060-L1064 WeakPolarHBondContact O-CB 3.32Å; V1060-L1064 WeakPolarHBondContact O-CG 3.45Å; V1060-L1064 PolarHBondContact O-N 2.94Å; V1060-L1102 HydrophobicContact CG1-CD1 4.12Å; V1060-L1102 HydrophobicContact CG1-CD2 4.35Å
1061T88.8Confident82.3Confident9 Ų940.5 Ų40.56%0.05523%0.233CC..Hα-helixtrans-66.7-32.4179.250.10000113.2E1057 K1058 A1059 G1065 F1121 L1124E1057-T1061 WeakPolarHBondContact O-CB 3.47Å; E1057-T1061 WeakPolarHBondContact O-CG2 3.44Å; E1057-T1061 PolarHBondContact O-N 2.96Å; E1057-T1061 PolarHBondContact O-OG1 3.04Å; K1058-T1061 PolarHBondContact O-OG1 3.22Å; A1059-T1061 PolarHBondContact O-N 2.98Å; T1061-G1065 PolarHBondContact O-N 3.47Å; T1061-G1065 VanDerWaalsContact O-N 3.12Å; T1061-F1121 HydrophobicContact CG2-CB 4.29Å; T1061-F1121 HydrophobicContact CG2-CD2 4.46Å; T1061-L1124 HydrophobicContact CG2-CD2 4.28Å
1062L89.4Confident84.7Confident107 Ų10737.2 Ų37.256%0.5620%0.198SC*.Hα-helixtrans-71.9-47175.2-175.666.2000111.7K1058 A1059 V1060 G1065 T1066K1058-L1062 WeakPolarHBondContact O-CB 3.5Å; K1058-L1062 PolarHBondContact O-N 3.24Å; A1059-L1062 PolarHBondContact O-N 2.97Å; V1060-L1062 VanDerWaalsContact C-N 3.33Å; V1060-L1062 PolarHBondContact O-N 3.47Å; L1062-G1065 PolarHBondContact O-N 3.44Å; L1062-G1065 VanDerWaalsContact O-N 3.13Å; L1062-T1066 PolarHBondContact O-N 2.85Å; L1062-T1066 PolarHBondContact O-OG1 3.25Å
1063Q89.2Confident86.9Confident7 Ų730 Ų303%0.03316%0.164CC..Hα-helixtrans-63.3-45.5-178.6-170.7177.421.500111.6T968 A970 V1021 V1025 A1059 V1060 G1065 T1066 L1067T968-Q1063 HydrophobicContact CG2-CG 4.12Å; A970-Q1063 HydrophobicContact CB-CG 4.47Å; V1021-Q1063 HydrophobicContact CG1-CG 3.92Å; V1025-Q1063 HydrophobicContact CG2-CG 4.36Å; V1025-Q1063 VanDerWaalsContact CG2-OE1 3.25Å; A1059-Q1063 WeakPolarHBondContact O-CB 3.06Å; A1059-Q1063 PolarHBondContact O-N 3.01Å; V1060-Q1063 PolarHBondContact O-N 3.07Å; Q1063-G1065 VanDerWaalsContact C-N 3.32Å; Q1063-G1065 PolarHBondContact O-N 2.97Å; Q1063-T1066 PolarHBondContact O-N 3.5Å; Q1063-L1067 WeakPolarHBondContact O-CB 3.4Å; Q1063-L1067 PolarHBondContact O-N 3.46Å
1064L91.1Very high88.5Confident1 Ų126.3 Ų26.31%0.00515%0.147CC..Hα-helixtrans-62.4-38.7171.9-72.7171.6000111.7L1022 V1025 V1060 T1066 L1067 L1068 T1098 L1099 L1102 L1124L1022-L1064 HydrophobicContact CD2-CD2 4.11Å; V1025-L1064 HydrophobicContact CG1-CD1 3.95Å; V1025-L1064 HydrophobicContact CG1-CD2 4.08Å; V1025-L1064 HydrophobicContact CG1-CG 4.02Å; V1060-L1064 HydrophobicContact CG1-CD1 3.92Å; V1060-L1064 WeakPolarHBondContact O-CB 3.32Å; V1060-L1064 WeakPolarHBondContact O-CG 3.45Å; V1060-L1064 PolarHBondContact O-N 2.94Å; L1064-T1066 PolarHBondContact O-N 3.32Å; L1064-L1067 HydrophobicContact CD2-CD2 4.45Å; L1064-L1067 PolarHBondContact O-N 3.49Å; L1064-L1068 VanDerWaalsContact O-CG 3.26Å; L1064-L1068 WeakPolarHBondContact O-CG 3.25Å; L1064-L1068 PolarHBondContact O-N 3.04Å; L1064-T1098 HydrophobicContact CD2-CG2 4.29Å; L1064-L1099 HydrophobicContact CD1-CD2 4.25Å; L1064-L1102 HydrophobicContact CD1-CD2 3.78Å; L1064-L1124 HydrophobicContact CB-CD1 4.01Å; L1064-L1124 HydrophobicContact CB-CD2 4.07Å; L1064-L1124 HydrophobicContact CD1-CD2 4.2Å
1065G91.6Very high89.2Confident14 Ų1424.4 Ų24.414%0.14414%0.137CC..Hα-helixtrans-57.9-50.1177.100000112.5T1061 L1062 Q1063 L1068 T1069 L1124 L1127T1061-G1065 PolarHBondContact O-N 3.47Å; T1061-G1065 VanDerWaalsContact O-N 3.12Å; L1062-G1065 PolarHBondContact O-N 3.44Å; L1062-G1065 VanDerWaalsContact O-N 3.13Å; Q1063-G1065 VanDerWaalsContact C-N 3.32Å; Q1063-G1065 PolarHBondContact O-N 2.97Å; G1065-L1068 PolarHBondContact O-N 3.34Å; G1065-T1069 PolarHBondContact O-N 3.35Å; G1065-T1069 PolarHBondContact O-OG1 3.48Å; G1065-L1124 VanDerWaalsContact CA-CD1 3.5Å; G1065-L1127 WeakPolarHBondContact O-CD2 3.32Å
1066T91.2Very high89.6Confident38 Ų3822.1 Ų22.123%0.23312%0.119CC..Hα-helixtrans-64.2-39.4175.7-52.80000112.1A970 L974 L1062 Q1063 L1064 T1069 A1070A970-T1066 HydrophobicContact CB-CG2 4.01Å; A970-T1066 WeakPolarHBondContact O-CG2 3.41Å; L974-T1066 HydrophobicContact CB-CG2 4.26Å; L974-T1066 HydrophobicContact CD2-CG2 4.25Å; L1062-T1066 PolarHBondContact O-N 2.85Å; L1062-T1066 PolarHBondContact O-OG1 3.25Å; Q1063-T1066 PolarHBondContact O-N 3.5Å; L1064-T1066 PolarHBondContact O-N 3.32Å; T1066-T1069 PolarHBondContact O-N 2.84Å; T1066-A1070 PolarHBondContact O-N 3.2Å
1067L91.8Very high89.7Confident1 Ų121.8 Ų21.81%0.00512%0.117CC..Hα-helixtrans-63-42.3178.3-163.584.8000112.5L973 V1018 V1021 L1022 Q1063 L1064 T1069 A1070 L1071L973-L1067 HydrophobicContact CD1-CD1 4.41Å; V1018-L1067 HydrophobicContact CB-CD1 4.32Å; V1018-L1067 HydrophobicContact CG1-CD1 4.11Å; V1018-L1067 HydrophobicContact CG1-CD2 4.27Å; V1018-L1067 HydrophobicContact CG1-CG 4.42Å; V1018-L1067 HydrophobicContact CG2-CD1 3.92Å; V1021-L1067 HydrophobicContact CB-CD1 4.4Å; V1021-L1067 HydrophobicContact CG1-CD1 3.95Å; L1022-L1067 HydrophobicContact CD1-CD2 4.49Å; L1022-L1067 HydrophobicContact CD2-CD2 3.52Å; L1022-L1067 HydrophobicContact CG-CD2 3.93Å; Q1063-L1067 WeakPolarHBondContact O-CB 3.4Å; Q1063-L1067 PolarHBondContact O-N 3.46Å; L1064-L1067 HydrophobicContact CD2-CD2 4.45Å; L1064-L1067 PolarHBondContact O-N 3.49Å; L1067-T1069 VanDerWaalsContact C-N 3.31Å; L1067-T1069 PolarHBondContact O-N 3.47Å; L1067-A1070 PolarHBondContact O-N 2.95Å; L1067-L1071 HydrophobicContact CD2-CD1 4.34Å; L1067-L1071 HydrophobicContact CG-CD1 4.24Å; L1067-L1071 WeakPolarHBondContact O-CB 3.38Å; L1067-L1071 WeakPolarHBondContact O-CG 3.44Å; L1067-L1071 PolarHBondContact O-N 2.72Å
1068L92.3Very high89.7Confident2 Ų221.3 Ų21.31%0.0112%0.119CC..Hα-helixtrans-64.2-37177-68.7174.8000111.7L1064 G1065 N1072 T1095 L1099 L1124 L1127 L1132L1064-L1068 VanDerWaalsContact O-CG 3.26Å; L1064-L1068 WeakPolarHBondContact O-CG 3.25Å; L1064-L1068 PolarHBondContact O-N 3.04Å; G1065-L1068 PolarHBondContact O-N 3.34Å; L1068-N1072 WeakPolarHBondContact O-CB 3.24Å; L1068-N1072 PolarHBondContact O-N 2.96Å; L1068-T1095 HydrophobicContact CD2-CG2 3.66Å; L1068-L1099 HydrophobicContact CD1-CD1 4.45Å; L1068-L1099 HydrophobicContact CD1-CD2 4.47Å; L1068-L1099 HydrophobicContact CD2-CD1 4.05Å; L1068-L1124 HydrophobicContact CD1-CD1 3.61Å; L1068-L1124 HydrophobicContact CD1-CG 4.32Å; L1068-L1127 HydrophobicContact CB-CD2 4.04Å; L1068-L1127 HydrophobicContact CB-CG 4.46Å; L1068-L1127 HydrophobicContact CD1-CD2 4.32Å; L1068-L1132 HydrophobicContact CD2-CD2 3.49Å; L1068-L1132 VanDerWaalsContact CD2-CD2 3.49Å
1069T92.2Very high89.4Confident49 Ų4917 Ų1730%0.30110%0.1SC..Hα-helixtrans-65.5-44.9172.6-48.50000111L974 G1065 T1066 L1067 L1071 N1072 E1073L974-T1069 HydrophobicContact CD1-CG2 3.81Å; L974-T1069 HydrophobicContact CD2-CG2 4.4Å; G1065-T1069 PolarHBondContact O-N 3.35Å; G1065-T1069 PolarHBondContact O-OG1 3.48Å; T1066-T1069 PolarHBondContact O-N 2.84Å; L1067-T1069 VanDerWaalsContact C-N 3.31Å; L1067-T1069 PolarHBondContact O-N 3.47Å; T1069-L1071 VanDerWaalsContact C-N 3.34Å; T1069-L1071 PolarHBondContact O-N 3.24Å; T1069-N1072 WeakPolarHBondContact O-CB 3.42Å; T1069-N1072 PolarHBondContact O-N 3.06Å; T1069-E1073 PolarHBondContact O-N 3.36Å
1070A91.1Very high88.8Confident1 Ų121 Ų211%0.00812%0.119CC..Hα-helixtrans-63.7-37.4178.100000112.7L974 C977 T1066 L1067L974-A1070 HydrophobicContact CB-CB 4.1Å; L974-A1070 HydrophobicContact CD1-CB 4.14Å; C977-A1070 HydrophobicContact CB-CB 4.33Å; C977-A1070 VanDerWaalsContact CB-O 3.29Å; C977-A1070 WeakPolarHBondContact CB-O 3.14Å; C977-A1070 PolarHBondContact SG-O 3.38Å; T1066-A1070 PolarHBondContact O-N 3.2Å; L1067-A1070 PolarHBondContact O-N 2.95Å
1071L91.1Very high87.7Confident0 Ų024.2 Ų24.20%014%0.14CC..Hα-helixtrans-71.8-32.9174.5-74.8168.7000112.4L1015 V1018 L1067 T1069 E1073 L1074 V1075 L1088 L1092 T1095 L1132L1015-L1071 HydrophobicContact CD2-CD2 4.42Å; V1018-L1071 HydrophobicContact CG1-CD1 4.42Å; V1018-L1071 HydrophobicContact CG1-CD2 4.39Å; L1067-L1071 HydrophobicContact CD2-CD1 4.34Å; L1067-L1071 HydrophobicContact CG-CD1 4.24Å; L1067-L1071 WeakPolarHBondContact O-CB 3.38Å; L1067-L1071 WeakPolarHBondContact O-CG 3.44Å; L1067-L1071 PolarHBondContact O-N 2.72Å; T1069-L1071 VanDerWaalsContact C-N 3.34Å; T1069-L1071 PolarHBondContact O-N 3.24Å; L1071-E1073 VanDerWaalsContact C-N 3.33Å; L1071-E1073 PolarHBondContact O-N 2.83Å; L1071-L1074 PolarHBondContact O-N 2.89Å; L1071-V1075 WeakPolarHBondContact O-CB 3.43Å; L1071-V1075 WeakPolarHBondContact O-CG2 3.49Å; L1071-V1075 PolarHBondContact O-N 3.19Å; L1071-L1088 HydrophobicContact CD2-CD1 3.98Å; L1071-L1092 HydrophobicContact CB-CD2 4.32Å; L1071-L1092 HydrophobicContact CD1-CD2 4.48Å; L1071-L1092 HydrophobicContact CD2-CD2 4.39Å; L1071-T1095 HydrophobicContact CD1-CG2 3.99Å; L1071-T1095 WeakPolarHBondContact CD1-OG1 3.43Å; L1071-L1132 HydrophobicContact CB-CD1 4.22Å
1072N91.3Very high87.1Confident8 Ų824.3 Ų24.34%0.04314%0.143CC..Hα-helixtrans-57.3-45.2174.3169.982.8000111.7L1068 T1069 V1075 Q1076L1068-N1072 WeakPolarHBondContact O-CB 3.24Å; L1068-N1072 PolarHBondContact O-N 2.96Å; T1069-N1072 WeakPolarHBondContact O-CB 3.42Å; T1069-N1072 PolarHBondContact O-N 3.06Å; N1072-V1075 PolarHBondContact O-N 3.36Å; N1072-Q1076 VanDerWaalsContact CG-NE2 3.34Å; N1072-Q1076 PolarHBondContact ND2-NE2 3.34Å; N1072-Q1076 WeakPolarHBondContact O-CG 3.28Å; N1072-Q1076 PolarHBondContact O-N 3.03Å; N1072-Q1076 VanDerWaalsContact O-N 3.08Å; N1072-Q1076 PolarHBondContact OD1-NE2 3.14Å
1073E90.5Very high86.7Confident35 Ų3524.2 Ų24.216%0.16414%0.143CC..Hα-helixtrans-59.8-47.5176.5-57.1-47.8122.800112L974 C977 Q978 H981 T1069 L1071 V1075 Q1076 T1077L974-E1073 HydrophobicContact CD1-CG 4.49Å; C977-E1073 HydrophobicContact CB-CB 4.05Å; Q978-E1073 HydrophobicContact CG-CG 4.05Å; H981-E1073 HydrophobicContact CB-CB 4.27Å; H981-E1073 IonicContact CE1-OE2 2.76Å; H981-E1073 IonicContact ND1-OE2 2.74Å; H981-E1073 PolarHBondContact ND1-OE2 3.02Å; T1069-E1073 PolarHBondContact O-N 3.36Å; L1071-E1073 VanDerWaalsContact C-N 3.33Å; L1071-E1073 PolarHBondContact O-N 2.83Å; E1073-V1075 PolarHBondContact O-N 2.77Å; E1073-Q1076 PolarHBondContact O-N 2.66Å; E1073-Q1076 VanDerWaalsContact O-N 3.16Å; E1073-T1077 PolarHBondContact O-N 2.75Å; E1073-T1077 PolarHBondContact O-OG1 3.4Å
1074L89.6Confident86.4Confident1 Ų124.2 Ų24.21%0.00514%0.144CC..Hα-helixtrans-65.8-26178.7-66.5-178.9000113.8C977 I980 V1014 L1015 L1071 L1088C977-L1074 HydrophobicContact CB-CD2 4.23Å; C977-L1074 HydrophobicContact CB-CG 4.06Å; C977-L1074 VanDerWaalsContact SG-CD1 3.55Å; C977-L1074 VanDerWaalsContact SG-CG 3.53Å; I980-L1074 HydrophobicContact CB-CD2 4.13Å; I980-L1074 HydrophobicContact CD1-CD2 4.26Å; I980-L1074 HydrophobicContact CG2-CD2 3.72Å; V1014-L1074 HydrophobicContact CG1-CD1 4.14Å; L1015-L1074 HydrophobicContact CD2-CD1 4.14Å; L1015-L1074 HydrophobicContact CG-CD1 4.5Å; L1071-L1074 PolarHBondContact O-N 2.89Å; L1074-L1088 HydrophobicContact CB-CD1 4.19Å; L1074-L1088 HydrophobicContact CB-CD2 4.26Å; L1074-L1088 WeakPolarHBondContact O-CD2 3.28Å
1075V89.3Confident86Confident1 Ų124.4 Ų24.41%0.00615%0.145CC..Hα-helixtrans-81.1-23.9177.2170.50000112I987 L1071 N1072 E1073 L1088 L1092 L1132 Q1135 F1139I987-V1075 VanDerWaalsContact CD1-O 3.23Å; I987-V1075 WeakPolarHBondContact CD1-O 3.21Å; L1071-V1075 WeakPolarHBondContact O-CB 3.43Å; L1071-V1075 WeakPolarHBondContact O-CG2 3.49Å; L1071-V1075 PolarHBondContact O-N 3.19Å; N1072-V1075 PolarHBondContact O-N 3.36Å; E1073-V1075 PolarHBondContact O-N 2.77Å; V1075-L1088 HydrophobicContact CG2-CD1 4.31Å; V1075-L1088 HydrophobicContact CG2-CD2 4.24Å; V1075-L1092 HydrophobicContact CG2-CD1 3.65Å; V1075-L1092 HydrophobicContact CG2-CD2 3.73Å; V1075-L1092 HydrophobicContact CG2-CG 4.25Å; V1075-L1132 HydrophobicContact CG2-CD1 4.26Å; V1075-Q1135 HydrophobicContact CG1-CB 3.7Å; V1075-Q1135 VanDerWaalsContact CG1-O 3.28Å; V1075-Q1135 WeakPolarHBondContact CG1-O 3.45Å; V1075-F1139 HydrophobicContact CG1-CB 3.75Å; V1075-F1139 HydrophobicContact CG1-CG 4.32Å; V1075-F1139 VanDerWaalsContact O-CD2 3.25Å; V1075-F1139 WeakPolarHBondContact O-CD2 3.46Å
1076Q88.4Confident85.7Confident35 Ų3524.3 Ų24.316%0.16414%0.142CC..Hα-helixtrans-83.8-24.1170.2-66.8178.125.100111.7D986 I987 N1072 E1073 Q1135D986-Q1076 CarbonylContact C-O 3.56Å; D986-Q1076 WeakPolarHBondContact CA-O 3.43Å; I987-Q1076 WeakPolarHBondContact CD1-O 3.39Å; I987-Q1076 VanDerWaalsContact CG1-O 3.27Å; I987-Q1076 WeakPolarHBondContact CG1-O 3.48Å; I987-Q1076 PolarHBondContact N-O 3.48Å; N1072-Q1076 VanDerWaalsContact CG-NE2 3.34Å; N1072-Q1076 PolarHBondContact ND2-NE2 3.34Å; N1072-Q1076 WeakPolarHBondContact O-CG 3.28Å; N1072-Q1076 PolarHBondContact O-N 3.03Å; N1072-Q1076 VanDerWaalsContact O-N 3.08Å; N1072-Q1076 PolarHBondContact OD1-NE2 3.14Å; E1073-Q1076 PolarHBondContact O-N 2.66Å; E1073-Q1076 VanDerWaalsContact O-N 3.16Å; Q1076-Q1135 HydrophobicContact CG-CB 4.42Å; Q1076-Q1135 HydrophobicContact CG-CG 4.09Å; Q1076-Q1135 VanDerWaalsContact NE2-NE2 3.16Å
1077T87.6Confident85.5Confident0 Ų023.7 Ų23.70%014%0.138CC..BIsolated β-bridgetrans-65.4134.3-178.4-54.60000114.2I980 H981 L984 G985 E1073 L1079I980-T1077 HydrophobicContact CG2-CG2 4.33Å; H981-T1077 WeakPolarHBondContact CA-OG1 3.24Å; H981-T1077 WeakPolarHBondContact CB-OG1 3.2Å; H981-T1077 PolarHBondContact CD2-OG1 3.29Å; L984-T1077 HydrophobicContact CB-CG2 3.5Å; L984-T1077 HydrophobicContact CD1-CG2 3.9Å; L984-T1077 HydrophobicContact CG-CG2 4.32Å; G985-T1077 CarbonylContact O-C 3.5Å; G985-T1077 WeakPolarHBondContact O-CA 3.36Å; E1073-T1077 PolarHBondContact O-N 2.75Å; E1073-T1077 PolarHBondContact O-OG1 3.4Å; T1077-L1079 HydrophobicContact CG2-CD2 3.89Å; T1077-L1079 HydrophobicContact CG2-CG 4.14Å; T1077-L1079 PolarHBondContact O-N 3.1Å
1078A83.7Confident85.3Confident24 Ų2423.7 Ų23.720%0.19814%0.138CC..  trans-70.666.4172.300000113.6G985 D986 L1080G985-A1078 PolarHBondContact O-N 3.1Å; D986-A1078 WeakPolarHBondContact O-CB 3.49Å; A1078-L1080 PolarHBondContact O-N 2.8Å
1079L80.5Confident85.2Confident4 Ų423.9 Ų23.92%0.02114%0.139CC..PPolyproline II helixtrans-67.6130.1-179.8-65.3175.5000112.5L984 T1077 L1088 F1139L984-L1079 HydrophobicContact CD1-CD2 3.75Å; T1077-L1079 HydrophobicContact CG2-CD2 3.89Å; T1077-L1079 HydrophobicContact CG2-CG 4.14Å; T1077-L1079 PolarHBondContact O-N 3.1Å; L1079-L1088 HydrophobicContact CD1-CD2 3.56Å; L1079-F1139 HydrophobicContact CD1-CE2 4.3Å; L1079-F1139 HydrophobicContact CD1-CZ 4.34Å
1080L74.3Confident85Confident99 Ų9927.8 Ų27.852%0.51815%0.148SC..PPolyproline II helixtrans-53.9129.4173.8-75.8167.4000112.1A1078 G1082 T1085A1078-L1080 PolarHBondContact O-N 2.8Å; L1080-G1082 PolarHBondContact O-N 3.5Å; L1080-T1085 PolarHBondContact O-OG1 2.81Å
1081P67.5Low85Confident72 Ų7228.2 Ų28.247%0.46815%0.15SC..THydrogen-bonded Turntrans-56.4122.6179.8-27.734.8000113.2
1082G76.4Confident85Confident12 Ų1228.2 Ų28.212%0.12415%0.15CC..THydrogen-bonded Turntrans156.3-148.9176.700000113.6L1080 C1084 T1085 V1086L1080-G1082 PolarHBondContact O-N 3.5Å; G1082-C1084 PolarHBondContact O-N 3.25Å; G1082-C1084 VanDerWaalsContact O-N 3.09Å; G1082-T1085 PolarHBondContact N-OG1 2.65Å; G1082-T1085 WeakPolarHBondContact O-CB 3.42Å; G1082-T1085 PolarHBondContact O-N 3.09Å; G1082-T1085 VanDerWaalsContact O-N 3.13Å; G1082-V1086 PolarHBondContact O-N 3.2Å; G1082-V1086 VanDerWaalsContact O-N 3.17Å
1083N81.3Confident85.1Confident105 Ų10528.8 Ų28.856%0.56116%0.155SC*.Hα-helixtrans-55.9-29.8-175.1-69.13.8000113.9T1087N1083-T1087 WeakPolarHBondContact O-CB 3.5Å; N1083-T1087 PolarHBondContact O-N 2.88Å; N1083-T1087 PolarHBondContact O-OG1 3.38Å
1084C82.2Confident85.2Confident6 Ų630 Ų304%0.04116%0.158CC..Hα-helixtrans-67.9-49.4178.4-161.90000111T1008 L1012 G1082 V1086 T1087 L1088T1008-C1084 HydrophobicContact CG2-CB 4.09Å; L1012-C1084 HydrophobicContact CD2-CB 4.25Å; L1012-C1084 HydrophobicContact CG-CB 4.48Å; G1082-C1084 PolarHBondContact O-N 3.25Å; G1082-C1084 VanDerWaalsContact O-N 3.09Å; C1084-V1086 PolarHBondContact O-N 3.44Å; C1084-T1087 PolarHBondContact O-N 2.9Å; C1084-L1088 PolarHBondContact O-N 3.18Å
1085T82.6Confident85.3Confident5 Ų530 Ų303%0.03116%0.158CC..Hα-helixtrans-55.2-48.7174.3-37.40000111.6L1080 G1082 T1087 L1088 L1089 F1139 A1143L1080-T1085 PolarHBondContact O-OG1 2.81Å; G1082-T1085 PolarHBondContact N-OG1 2.65Å; G1082-T1085 WeakPolarHBondContact O-CB 3.42Å; G1082-T1085 PolarHBondContact O-N 3.09Å; G1082-T1085 VanDerWaalsContact O-N 3.13Å; T1085-T1087 VanDerWaalsContact C-N 3.32Å; T1085-T1087 PolarHBondContact O-N 3.34Å; T1085-L1088 PolarHBondContact O-N 3.39Å; T1085-L1089 WeakPolarHBondContact O-CG 3.31Å; T1085-L1089 PolarHBondContact O-N 2.79Å; T1085-F1139 HydrophobicContact CG2-CE1 4Å; T1085-F1139 HydrophobicContact CG2-CZ 3.78Å; T1085-A1143 HydrophobicContact CG2-CB 4.06Å
1086V84Confident85.6Confident12 Ų1230 Ų307%0.07316%0.157CC..Hα-helixtrans-63.6-37.9179.41800000111.8G1082 C1084 R1090 L1170G1082-V1086 PolarHBondContact O-N 3.2Å; G1082-V1086 VanDerWaalsContact O-N 3.17Å; C1084-V1086 PolarHBondContact O-N 3.44Å; V1086-R1090 PolarHBondContact O-N 2.92Å; V1086-L1170 HydrophobicContact CG2-CD1 3.49Å; V1086-L1170 VanDerWaalsContact CG2-CD1 3.49Å
1087T87Confident85.9Confident26 Ų2630.4 Ų30.416%0.1617%0.167CC..Hα-helixtrans-71.1-44.6178.6-54.50000110.8L1015 N1083 C1084 T1085 L1089 R1090 E1091L1015-T1087 HydrophobicContact CB-CG2 4.04Å; L1015-T1087 HydrophobicContact CD1-CG2 4.03Å; N1083-T1087 WeakPolarHBondContact O-CB 3.5Å; N1083-T1087 PolarHBondContact O-N 2.88Å; N1083-T1087 PolarHBondContact O-OG1 3.38Å; C1084-T1087 PolarHBondContact O-N 2.9Å; T1085-T1087 VanDerWaalsContact C-N 3.32Å; T1085-T1087 PolarHBondContact O-N 3.34Å; T1087-L1089 PolarHBondContact O-N 2.75Å; T1087-R1090 WeakPolarHBondContact O-CB 3.48Å; T1087-R1090 PolarHBondContact O-N 3.25Å; T1087-R1090 VanDerWaalsContact O-N 3.08Å; T1087-E1091 HydrophobicContact CG2-CG 4.4Å; T1087-E1091 WeakPolarHBondContact O-CG 2.91Å; T1087-E1091 PolarHBondContact O-N 3.48Å
1088L89.6Confident86.1Confident0 Ų030.4 Ų30.40%017%0.167CC..Hα-helixtrans-57.9-45.7174.7176.861.1000111.8L1015 L1071 L1074 V1075 L1079 C1084 T1085 R1090 E1091 L1092 F1139L1015-L1088 HydrophobicContact CD1-CB 4.07Å; L1015-L1088 HydrophobicContact CD2-CB 4.29Å; L1015-L1088 HydrophobicContact CD2-CD1 3.79Å; L1071-L1088 HydrophobicContact CD2-CD1 3.98Å; L1074-L1088 HydrophobicContact CB-CD1 4.19Å; L1074-L1088 HydrophobicContact CB-CD2 4.26Å; L1074-L1088 WeakPolarHBondContact O-CD2 3.28Å; V1075-L1088 HydrophobicContact CG2-CD1 4.31Å; V1075-L1088 HydrophobicContact CG2-CD2 4.24Å; L1079-L1088 HydrophobicContact CD1-CD2 3.56Å; C1084-L1088 PolarHBondContact O-N 3.18Å; T1085-L1088 PolarHBondContact O-N 3.39Å; L1088-R1090 VanDerWaalsContact C-N 3.26Å; L1088-R1090 PolarHBondContact O-N 3.3Å; L1088-E1091 PolarHBondContact O-N 3.13Å; L1088-L1092 HydrophobicContact CD1-CD1 4.11Å; L1088-L1092 HydrophobicContact CD1-CD2 4.42Å; L1088-L1092 HydrophobicContact CD1-CG 4.01Å; L1088-L1092 HydrophobicContact CG-CD1 3.96Å; L1088-L1092 HydrophobicContact CG-CG 4.34Å; L1088-L1092 VanDerWaalsContact O-CG 3.25Å; L1088-L1092 WeakPolarHBondContact O-CG 3.49Å; L1088-L1092 PolarHBondContact O-N 3Å; L1088-F1139 HydrophobicContact CD2-CE1 4.06Å; L1088-F1139 HydrophobicContact CD2-CE2 3.96Å; L1088-F1139 HydrophobicContact CD2-CZ 3.64Å
1089L88.4Confident86.6Confident7 Ų729.4 Ų29.44%0.03716%0.159CC..Hα-helixtrans-58.7-36.4176-70.9169.8000112.8T1085 T1087 S1093 F1139 I1140 A1176 I1177 L1180T1085-L1089 WeakPolarHBondContact O-CG 3.31Å; T1085-L1089 PolarHBondContact O-N 2.79Å; T1087-L1089 PolarHBondContact O-N 2.75Å; L1089-S1093 WeakPolarHBondContact O-CB 3.24Å; L1089-S1093 PolarHBondContact O-N 2.79Å; L1089-S1093 VanDerWaalsContact O-N 3.13Å; L1089-F1139 HydrophobicContact CD2-CD1 4.02Å; L1089-F1139 HydrophobicContact CD2-CE1 3.95Å; L1089-F1139 HydrophobicContact CG-CE1 4.12Å; L1089-I1140 HydrophobicContact CD2-CG1 4.4Å; L1089-A1176 HydrophobicContact CB-CB 4.05Å; L1089-A1176 HydrophobicContact CD1-CB 4.4Å; L1089-I1177 HydrophobicContact CD1-CD1 4.45Å; L1089-I1177 HydrophobicContact CD1-CG1 3.79Å; L1089-I1177 HydrophobicContact CD2-CG1 4.45Å; L1089-L1180 HydrophobicContact CD2-CD2 3.67Å
1090R89.7Confident87.2Confident131 Ų13129.6 Ų29.649%0.49416%0.16SC..Hα-helixtrans-67.7-47.6174.6-169.1-172.5-57.3108.85.1111.5V1086 T1087 L1088 L1092 S1093 R1094V1086-R1090 PolarHBondContact O-N 2.92Å; T1087-R1090 WeakPolarHBondContact O-CB 3.48Å; T1087-R1090 PolarHBondContact O-N 3.25Å; T1087-R1090 VanDerWaalsContact O-N 3.08Å; L1088-R1090 VanDerWaalsContact C-N 3.26Å; L1088-R1090 PolarHBondContact O-N 3.3Å; R1090-L1092 VanDerWaalsContact C-N 3.33Å; R1090-L1092 PolarHBondContact O-N 3.41Å; R1090-S1093 WeakPolarHBondContact O-CB 3.47Å; R1090-S1093 PolarHBondContact O-N 3.01Å; R1090-R1094 PolarHBondContact O-N 2.91Å
1091E90.4Very high88Confident9 Ų927 Ų274%0.04215%0.148CC..Hα-helixtrans-66.6-33.8-179.6-60.7-35.3122.400112.7L1015 V1018 D1019 T1087 L1088 R1094 T1095L1015-E1091 HydrophobicContact CB-CG 4.13Å; L1015-E1091 HydrophobicContact CD2-CB 4.07Å; L1015-E1091 HydrophobicContact CD2-CG 3.89Å; V1018-E1091 HydrophobicContact CG1-CB 4.41Å; D1019-E1091 WeakPolarHBondContact CB-OE2 3.35Å; T1087-E1091 HydrophobicContact CG2-CG 4.4Å; T1087-E1091 WeakPolarHBondContact O-CG 2.91Å; T1087-E1091 PolarHBondContact O-N 3.48Å; L1088-E1091 PolarHBondContact O-N 3.13Å; E1091-R1094 PolarHBondContact O-N 3.2Å; E1091-T1095 WeakPolarHBondContact O-CB 3.5Å; E1091-T1095 PolarHBondContact O-N 3.15Å; E1091-T1095 PolarHBondContact O-OG1 3.4Å
1092L91.6Very high89.1Confident0 Ų023.8 Ų23.80%013%0.127CC..Hα-helixtrans-64-47.4170.3-67.7167.6000111.1L1071 V1075 L1088 R1090 R1094 T1095 Y1096 L1132 L1180L1071-L1092 HydrophobicContact CB-CD2 4.32Å; L1071-L1092 HydrophobicContact CD1-CD2 4.48Å; L1071-L1092 HydrophobicContact CD2-CD2 4.39Å; V1075-L1092 HydrophobicContact CG2-CD1 3.65Å; V1075-L1092 HydrophobicContact CG2-CD2 3.73Å; V1075-L1092 HydrophobicContact CG2-CG 4.25Å; L1088-L1092 HydrophobicContact CD1-CD1 4.11Å; L1088-L1092 HydrophobicContact CD1-CD2 4.42Å; L1088-L1092 HydrophobicContact CD1-CG 4.01Å; L1088-L1092 HydrophobicContact CG-CD1 3.96Å; L1088-L1092 HydrophobicContact CG-CG 4.34Å; L1088-L1092 VanDerWaalsContact O-CG 3.25Å; L1088-L1092 WeakPolarHBondContact O-CG 3.49Å; L1088-L1092 PolarHBondContact O-N 3Å; R1090-L1092 VanDerWaalsContact C-N 3.33Å; R1090-L1092 PolarHBondContact O-N 3.41Å; L1092-R1094 VanDerWaalsContact C-N 3.28Å; L1092-R1094 PolarHBondContact O-N 3.34Å; L1092-T1095 WeakPolarHBondContact O-CB 3.13Å; L1092-T1095 PolarHBondContact O-N 3.39Å; L1092-T1095 VanDerWaalsContact O-N 3.14Å; L1092-Y1096 VanDerWaalsContact O-CD2 3.28Å; L1092-Y1096 WeakPolarHBondContact O-CD2 3.43Å; L1092-Y1096 PolarHBondContact O-N 3.48Å; L1092-L1132 HydrophobicContact CD2-CD1 3.97Å; L1092-L1132 HydrophobicContact CD2-CD2 4.34Å; L1092-L1180 HydrophobicContact CB-CD1 3.68Å; L1092-L1180 HydrophobicContact CB-CD2 4.15Å; L1092-L1180 HydrophobicContact CD1-CD2 4.13Å
1093S91.6Very high89.8Confident20 Ų2023.2 Ų23.214%0.1412%0.121CC..Hα-helixtrans-60.1-39.7177.3-178.30000111.4L1089 R1090 A1097 N1179 S1183L1089-S1093 WeakPolarHBondContact O-CB 3.24Å; L1089-S1093 PolarHBondContact O-N 2.79Å; L1089-S1093 VanDerWaalsContact O-N 3.13Å; R1090-S1093 WeakPolarHBondContact O-CB 3.47Å; R1090-S1093 PolarHBondContact O-N 3.01Å; S1093-A1097 PolarHBondContact O-N 3.1Å; S1093-A1097 VanDerWaalsContact O-N 3.14Å; S1093-N1179 PolarHBondContact OG-O 3.48Å; S1093-S1183 PolarHBondContact O-OG 3.45Å; S1093-S1183 PolarHBondContact OG-OG 3.11Å
1094R92.8Very high90.2Very high62 Ų6222.1 Ų22.123%0.23411%0.111CC..Hα-helixtrans-63.1-47.1172.6-169.1180173.2150.68111.5D1019 L1022 D1023 R1090 E1091 L1092 Y1096 A1097 T1098D1019-R1094 VanDerWaalsContact CG-NH1 3.27Å; D1019-R1094 WeakPolarHBondContact OD1-CD 3.35Å; D1019-R1094 IonicContact OD1-CZ 2.71Å; D1019-R1094 IonicContact OD1-NE 3.71Å; D1019-R1094 IonicContact OD1-NH1 3.21Å; D1019-R1094 PolarHBondContact OD1-NH1 3.41Å; D1019-R1094 IonicContact OD2-NH1 3.41Å; D1019-R1094 PolarHBondContact OD2-NH1 3.07Å; L1022-R1094 HydrophobicContact CD1-CB 4.23Å; L1022-R1094 HydrophobicContact CD1-CG 3.95Å; D1023-R1094 IonicContact OD1-CZ 2.85Å; D1023-R1094 IonicContact OD1-NH1 2.77Å; D1023-R1094 IonicContact OD1-NH2 3.92Å; D1023-R1094 PolarHBondContact OD1-NH2 2.68Å; D1023-R1094 IonicContact OD2-CZ 3.7Å; D1023-R1094 IonicContact OD2-NH1 3.82Å; D1023-R1094 PolarHBondContact OD2-NH1 2.78Å; D1023-R1094 IonicContact OD2-NH2 3.12Å; D1023-R1094 PolarHBondContact OD2-NH2 2.9Å; R1090-R1094 PolarHBondContact O-N 2.91Å; E1091-R1094 PolarHBondContact O-N 3.2Å; L1092-R1094 VanDerWaalsContact C-N 3.28Å; L1092-R1094 PolarHBondContact O-N 3.34Å; R1094-Y1096 PolarHBondContact O-N 3.03Å; R1094-A1097 WeakPolarHBondContact O-CA 3.29Å; R1094-A1097 VanDerWaalsContact O-CB 3.3Å; R1094-A1097 WeakPolarHBondContact O-CB 3.21Å; R1094-A1097 PolarHBondContact O-N 3.15Å; R1094-T1098 PolarHBondContact O-N 3.07Å; R1094-T1098 PolarHBondContact O-OG1 2.66Å
1095T93.4Very high90.4Very high0 Ų022.4 Ų22.40%011%0.112CC..Hα-helixtrans-58.1-45.6178.6-58.70000112L1068 L1071 E1091 L1092 A1097 T1098 L1099L1068-T1095 HydrophobicContact CD2-CG2 3.66Å; L1071-T1095 HydrophobicContact CD1-CG2 3.99Å; L1071-T1095 WeakPolarHBondContact CD1-OG1 3.43Å; E1091-T1095 WeakPolarHBondContact O-CB 3.5Å; E1091-T1095 PolarHBondContact O-N 3.15Å; E1091-T1095 PolarHBondContact O-OG1 3.4Å; L1092-T1095 WeakPolarHBondContact O-CB 3.13Å; L1092-T1095 PolarHBondContact O-N 3.39Å; L1092-T1095 VanDerWaalsContact O-N 3.14Å; T1095-A1097 VanDerWaalsContact C-N 3.3Å; T1095-A1097 PolarHBondContact O-N 3.42Å; T1095-T1098 PolarHBondContact O-N 3.18Å; T1095-L1099 WeakPolarHBondContact O-CG 3.36Å; T1095-L1099 PolarHBondContact O-N 2.96Å
1096Y94.2Very high90.6Very high0 Ų022.5 Ų22.50%011%0.111CC..Hα-helixtrans-66.2-30174.6-78.6-75.5000112.9L1092 R1094 L1099 T1100 L1132 T1133 L1180 I1184 Y1187L1092-Y1096 VanDerWaalsContact O-CD2 3.28Å; L1092-Y1096 WeakPolarHBondContact O-CD2 3.43Å; L1092-Y1096 PolarHBondContact O-N 3.48Å; R1094-Y1096 PolarHBondContact O-N 3.03Å; Y1096-L1099 HydrophobicContact CD1-CD1 4.3Å; Y1096-T1100 WeakPolarHBondContact O-CB 3.45Å; Y1096-T1100 PolarHBondContact O-N 3.33Å; Y1096-T1100 PolarHBondContact O-OG1 2.82Å; Y1096-L1132 HydrophobicContact CE2-CD2 4Å; Y1096-L1132 HydrophobicContact CE2-CG 4.45Å; Y1096-T1133 VanDerWaalsContact OH-CA 3.22Å; Y1096-T1133 WeakPolarHBondContact OH-CA 3.35Å; Y1096-T1133 PolarHBondContact OH-N 2.95Å; Y1096-T1133 PolarHBondContact OH-OG1 3.33Å; Y1096-L1180 HydrophobicContact CD2-CD1 3.89Å; Y1096-L1180 HydrophobicContact CE2-CD1 4.2Å; Y1096-I1184 HydrophobicContact CD1-CG1 4.04Å; Y1096-I1184 HydrophobicContact CD2-CD1 4.41Å; Y1096-I1184 HydrophobicContact CD2-CG1 3.71Å; Y1096-I1184 HydrophobicContact CE1-CG1 4Å; Y1096-I1184 HydrophobicContact CE2-CD1 4.04Å; Y1096-I1184 HydrophobicContact CE2-CG1 3.69Å; Y1096-I1184 HydrophobicContact CG-CG1 3.91Å; Y1096-Y1187 AromaticContact CD1-CD1 3.78Å; Y1096-Y1187 HydrophobicContact CD1-CD1 3.78Å; Y1096-Y1187 HydrophobicContact CD1-CE1 4.39Å; Y1096-Y1187 HydrophobicContact CD1-CG 4.1Å; Y1096-Y1187 AromaticContact CE1-CD1 3.99Å; Y1096-Y1187 HydrophobicContact CE1-CD1 3.99Å; Y1096-Y1187 HydrophobicContact CE1-CE1 4.34Å
1097A94.3Very high90.7Very high45 Ų4523 Ų2337%0.37211%0.113SC..Hα-helixtrans-67.1-45.5172.200000111.8S1093 R1094 T1095 T1100 T1101S1093-A1097 PolarHBondContact O-N 3.1Å; S1093-A1097 VanDerWaalsContact O-N 3.14Å; R1094-A1097 WeakPolarHBondContact O-CA 3.29Å; R1094-A1097 VanDerWaalsContact O-CB 3.3Å; R1094-A1097 WeakPolarHBondContact O-CB 3.21Å; R1094-A1097 PolarHBondContact O-N 3.15Å; T1095-A1097 VanDerWaalsContact C-N 3.3Å; T1095-A1097 PolarHBondContact O-N 3.42Å; A1097-T1100 CarbonylContact O-C 3.57Å; A1097-T1100 WeakPolarHBondContact O-CA 3.19Å; A1097-T1100 VanDerWaalsContact O-CB 3.29Å; A1097-T1100 WeakPolarHBondContact O-CB 3.49Å; A1097-T1100 PolarHBondContact O-N 3.15Å; A1097-T1101 PolarHBondContact O-N 3.39Å
1098T93.5Very high90.5Very high0 Ų024.8 Ų24.80%012%0.12CC..Hα-helixtrans-64.6-39.4174.8-52.20000112.2L1022 V1025 D1026 I1029 L1064 R1094 T1095 T1100 T1101 L1102L1022-T1098 HydrophobicContact CD2-CG2 4.07Å; V1025-T1098 HydrophobicContact CB-CG2 4.35Å; V1025-T1098 HydrophobicContact CG1-CG2 3.71Å; D1026-T1098 WeakPolarHBondContact OD2-CB 3.45Å; D1026-T1098 WeakPolarHBondContact OD2-CG2 3.43Å; D1026-T1098 PolarHBondContact OD2-OG1 3.17Å; I1029-T1098 HydrophobicContact CD1-CG2 4.31Å; L1064-T1098 HydrophobicContact CD2-CG2 4.29Å; R1094-T1098 PolarHBondContact O-N 3.07Å; R1094-T1098 PolarHBondContact O-OG1 2.66Å; T1095-T1098 PolarHBondContact O-N 3.18Å; T1098-T1100 PolarHBondContact O-N 3.16Å; T1098-T1101 WeakPolarHBondContact CA-OG1 3.48Å; T1098-T1101 PolarHBondContact O-N 3.14Å; T1098-T1101 PolarHBondContact O-OG1 3.27Å; T1098-L1102 PolarHBondContact O-N 3.31Å
1099L92.8Very high90.1Very high3 Ų325.5 Ų25.52%0.01613%0.126CC..Hα-helixtrans-61.4-36169.9-73.2176000111.5L1064 L1068 T1095 Y1096 L1102 V1103 L1124 Y1187L1064-L1099 HydrophobicContact CD1-CD2 4.25Å; L1068-L1099 HydrophobicContact CD1-CD1 4.45Å; L1068-L1099 HydrophobicContact CD1-CD2 4.47Å; L1068-L1099 HydrophobicContact CD2-CD1 4.05Å; T1095-L1099 WeakPolarHBondContact O-CG 3.36Å; T1095-L1099 PolarHBondContact O-N 2.96Å; Y1096-L1099 HydrophobicContact CD1-CD1 4.3Å; L1099-L1102 PolarHBondContact O-N 3.21Å; L1099-V1103 VanDerWaalsContact O-CG2 3.29Å; L1099-V1103 WeakPolarHBondContact O-CG2 3.21Å; L1099-V1103 PolarHBondContact O-N 2.9Å; L1099-L1124 HydrophobicContact CD2-CD2 4.18Å; L1099-L1124 HydrophobicContact CD2-CG 4.47Å; L1099-Y1187 HydrophobicContact CB-CD2 3.85Å; L1099-Y1187 HydrophobicContact CB-CE2 3.56Å; L1099-Y1187 HydrophobicContact CD1-CE1 4.47Å; L1099-Y1187 HydrophobicContact CD1-CE2 4.37Å; L1099-Y1187 HydrophobicContact CG-CE2 4.49Å
1100T92.7Very high89.5Confident7 Ų726.3 Ų26.34%0.04313%0.132CC..Hα-helixtrans-71.4-34.3176-590000112.7Y1096 A1097 T1098 K1104 Y1187 Y1190Y1096-T1100 WeakPolarHBondContact O-CB 3.45Å; Y1096-T1100 PolarHBondContact O-N 3.33Å; Y1096-T1100 PolarHBondContact O-OG1 2.82Å; A1097-T1100 CarbonylContact O-C 3.57Å; A1097-T1100 WeakPolarHBondContact O-CA 3.19Å; A1097-T1100 VanDerWaalsContact O-CB 3.29Å; A1097-T1100 WeakPolarHBondContact O-CB 3.49Å; A1097-T1100 PolarHBondContact O-N 3.15Å; T1098-T1100 PolarHBondContact O-N 3.16Å; T1100-K1104 HydrophobicContact CG2-CD 4.21Å; T1100-K1104 WeakPolarHBondContact O-CB 3.28Å; T1100-K1104 WeakPolarHBondContact O-CD 3.34Å; T1100-K1104 VanDerWaalsContact O-CG 3.24Å; T1100-K1104 WeakPolarHBondContact O-CG 3.47Å; T1100-K1104 PolarHBondContact O-N 3.49Å; T1100-Y1187 VanDerWaalsContact OG1-CA 3.32Å; T1100-Y1187 WeakPolarHBondContact OG1-CA 3.28Å; T1100-Y1187 WeakPolarHBondContact OG1-CB 3.12Å; T1100-Y1190 HydrophobicContact CG2-CD2 3.5Å; T1100-Y1190 HydrophobicContact CG2-CE2 4.13Å; T1100-Y1190 HydrophobicContact CG2-CG 4.15Å
1101T91.8Very high88.5Confident46 Ų4623.9 Ų23.928%0.28214%0.14SC..Hα-helixtrans-66.1-40.6172.759.10000110.7D1026 A1097 T1098 K1104 Y1105D1026-T1101 PolarHBondContact OD1-OG1 2.86Å; A1097-T1101 PolarHBondContact O-N 3.39Å; T1098-T1101 WeakPolarHBondContact CA-OG1 3.48Å; T1098-T1101 PolarHBondContact O-N 3.14Å; T1098-T1101 PolarHBondContact O-OG1 3.27Å; T1101-K1104 WeakPolarHBondContact O-CB 3.31Å; T1101-K1104 PolarHBondContact O-N 3.22Å; T1101-Y1105 PolarHBondContact O-N 3.32Å
1102L90.8Very high87.4Confident4 Ų427.3 Ų27.32%0.02117%0.165CC..Hα-helixtrans-62.6-44.9173.4-172.963.5000112.8I1029 V1060 L1064 T1098 L1099 K1104 Y1105 Y1106 F1121 L1124I1029-L1102 HydrophobicContact CD1-CB 3.88Å; I1029-L1102 HydrophobicContact CD1-CD1 4.09Å; I1029-L1102 HydrophobicContact CG1-CD1 4.07Å; V1060-L1102 HydrophobicContact CG1-CD1 4.12Å; V1060-L1102 HydrophobicContact CG1-CD2 4.35Å; L1064-L1102 HydrophobicContact CD1-CD2 3.78Å; T1098-L1102 PolarHBondContact O-N 3.31Å; L1099-L1102 PolarHBondContact O-N 3.21Å; L1102-K1104 VanDerWaalsContact C-N 3.33Å; L1102-K1104 PolarHBondContact O-N 3.49Å; L1102-Y1105 HydrophobicContact CD1-CD1 4.45Å; L1102-Y1105 WeakPolarHBondContact O-CB 3.49Å; L1102-Y1105 PolarHBondContact O-N 3.27Å; L1102-Y1106 HydrophobicContact CD1-CD2 4.19Å; L1102-Y1106 HydrophobicContact CD1-CE2 3.69Å; L1102-Y1106 HydrophobicContact CD2-CE2 4.44Å; L1102-Y1106 HydrophobicContact CG-CD2 4.12Å; L1102-Y1106 HydrophobicContact CG-CE2 3.87Å; L1102-Y1106 WeakPolarHBondContact O-CD2 3.25Å; L1102-Y1106 PolarHBondContact O-N 3.13Å; L1102-F1121 HydrophobicContact CD2-CD2 4Å; L1102-F1121 HydrophobicContact CD2-CE2 3.88Å; L1102-F1121 HydrophobicContact CG-CD2 4.35Å; L1102-F1121 HydrophobicContact CG-CE2 3.97Å; L1102-L1124 HydrophobicContact CD2-CD2 4Å
1103V90.3Very high85.8Confident0 Ų033.8 Ų33.80%020%0.195CC..Hα-helixtrans-60.3-42.7174.1172.80000111L1099 Y1105 Y1106 I1107 F1121 Y1187 L1191 L1194L1099-V1103 VanDerWaalsContact O-CG2 3.29Å; L1099-V1103 WeakPolarHBondContact O-CG2 3.21Å; L1099-V1103 PolarHBondContact O-N 2.9Å; V1103-Y1105 VanDerWaalsContact C-N 3.31Å; V1103-Y1105 PolarHBondContact O-N 2.86Å; V1103-Y1106 PolarHBondContact O-N 3.02Å; V1103-I1107 HydrophobicContact CG1-CD1 3.98Å; V1103-I1107 HydrophobicContact CG1-CG1 4.46Å; V1103-I1107 VanDerWaalsContact O-CG1 3.29Å; V1103-I1107 WeakPolarHBondContact O-CG1 3.38Å; V1103-I1107 PolarHBondContact O-N 3.27Å; V1103-F1121 HydrophobicContact CG2-CZ 3.99Å; V1103-Y1187 HydrophobicContact CG2-CD2 4.15Å; V1103-Y1187 HydrophobicContact CG2-CE2 3.68Å; V1103-L1191 HydrophobicContact CG1-CD2 4.36Å; V1103-L1191 HydrophobicContact CG2-CD2 3.66Å; V1103-L1191 HydrophobicContact CG2-CG 4.2Å; V1103-L1194 HydrophobicContact CG1-CB 4.13Å; V1103-L1194 HydrophobicContact CG1-CD2 4.08Å
1104K89.8Confident83.8Confident81 Ų8142.7 Ų42.735%0.35223%0.234SC..Hα-helixtrans-62.9-35.3176.3-75.1164.8179167.10112.6T1100 T1101 L1102 Q1108 Y1190T1100-K1104 HydrophobicContact CG2-CD 4.21Å; T1100-K1104 WeakPolarHBondContact O-CB 3.28Å; T1100-K1104 WeakPolarHBondContact O-CD 3.34Å; T1100-K1104 VanDerWaalsContact O-CG 3.24Å; T1100-K1104 WeakPolarHBondContact O-CG 3.47Å; T1100-K1104 PolarHBondContact O-N 3.49Å; T1101-K1104 WeakPolarHBondContact O-CB 3.31Å; T1101-K1104 PolarHBondContact O-N 3.22Å; L1102-K1104 VanDerWaalsContact C-N 3.33Å; L1102-K1104 PolarHBondContact O-N 3.49Å; K1104-Q1108 PolarHBondContact O-N 3.02Å; K1104-Y1190 HydrophobicContact CD-CE1 4.48Å; K1104-Y1190 HydrophobicContact CG-CD1 3.96Å; K1104-Y1190 HydrophobicContact CG-CE1 4.1Å; K1104-Y1190 HydrophobicContact CG-CG 4.27Å
1105Y87.8Confident82Confident13 Ų1341.5 Ų41.55%0.05124%0.241CC..Hα-helixtrans-63.4-51.3172.6168.2-101.6000111.4K1032 K1033 E1057 T1101 L1102 V1103 I1107 Q1108 A1109K1032-Y1105 HydrophobicContact CB-CE2 3.91Å; K1033-Y1105 HydrophobicContact CB-CD2 4.04Å; E1057-Y1105 HydrophobicContact CG-CE1 4.31Å; E1057-Y1105 WeakPolarHBondContact OE1-CE1 3.15Å; E1057-Y1105 PolarHBondContact OE1-OH 2.98Å; E1057-Y1105 VanDerWaalsContact OE1-OH 3.1Å; T1101-Y1105 PolarHBondContact O-N 3.32Å; L1102-Y1105 HydrophobicContact CD1-CD1 4.45Å; L1102-Y1105 WeakPolarHBondContact O-CB 3.49Å; L1102-Y1105 PolarHBondContact O-N 3.27Å; V1103-Y1105 VanDerWaalsContact C-N 3.31Å; V1103-Y1105 PolarHBondContact O-N 2.86Å; Y1105-I1107 VanDerWaalsContact C-N 3.29Å; Y1105-I1107 PolarHBondContact O-N 3.44Å; Y1105-Q1108 WeakPolarHBondContact O-CA 3.29Å; Y1105-Q1108 WeakPolarHBondContact O-CB 3.33Å; Y1105-Q1108 PolarHBondContact O-N 3.17Å; Y1105-A1109 PolarHBondContact O-N 3.4Å
1106Y86.4Confident80.6Confident6 Ų646.4 Ų46.42%0.02428%0.275CS..Hα-helixtrans-63.4-31.2176.6-75.4-65.7000113.3E1057 L1102 V1103 Q1108 A1109 C1110 L1117 P1118 F1121E1057-Y1106 PolarHBondContact OE2-OH 3.5Å; L1102-Y1106 HydrophobicContact CD1-CD2 4.19Å; L1102-Y1106 HydrophobicContact CD1-CE2 3.69Å; L1102-Y1106 HydrophobicContact CD2-CE2 4.44Å; L1102-Y1106 HydrophobicContact CG-CD2 4.12Å; L1102-Y1106 HydrophobicContact CG-CE2 3.87Å; L1102-Y1106 WeakPolarHBondContact O-CD2 3.25Å; L1102-Y1106 PolarHBondContact O-N 3.13Å; V1103-Y1106 PolarHBondContact O-N 3.02Å; Y1106-Q1108 PolarHBondContact O-N 3.23Å; Y1106-A1109 PolarHBondContact O-N 2.96Å; Y1106-C1110 VanDerWaalsContact O-CB 3.3Å; Y1106-C1110 WeakPolarHBondContact O-CB 3.18Å; Y1106-C1110 PolarHBondContact O-N 3.04Å; Y1106-C1110 PolarHBondContact O-SG 2.85Å; Y1106-L1117 HydrophobicContact CD1-CD2 4.25Å; Y1106-L1117 HydrophobicContact CG-CD2 4.3Å; Y1106-P1118 HydrophobicContact CE1-CG 3.91Å; Y1106-F1121 HydrophobicContact CD2-CD1 4.25Å; Y1106-F1121 AromaticContact CD2-CD2 3.73Å; Y1106-F1121 HydrophobicContact CD2-CD2 3.73Å; Y1106-F1121 HydrophobicContact CD2-CE1 4.15Å; Y1106-F1121 AromaticContact CD2-CE2 3.62Å; Y1106-F1121 HydrophobicContact CD2-CE2 3.62Å; Y1106-F1121 HydrophobicContact CD2-CG 4.04Å; Y1106-F1121 AromaticContact CD2-CZ 3.83Å; Y1106-F1121 HydrophobicContact CD2-CZ 3.83Å; Y1106-F1121 HydrophobicContact CE2-CB 4.25Å; Y1106-F1121 HydrophobicContact CE2-CD1 4.37Å; Y1106-F1121 AromaticContact CE2-CD2 3.39Å; Y1106-F1121 HydrophobicContact CE2-CD2 3.39Å; Y1106-F1121 AromaticContact CE2-CE2 3.75Å; Y1106-F1121 HydrophobicContact CE2-CE2 3.75Å; Y1106-F1121 AromaticContact CE2-CG 3.74Å; Y1106-F1121 HydrophobicContact CE2-CG 3.74Å; Y1106-F1121 HydrophobicContact CE2-CZ 4.36Å
1107I86.2Confident79.7Confident22 Ų2247.2 Ų47.211%0.11328%0.279CS..Hα-helixtrans-60.6-31.5171.1-72.9168.9000112.3V1103 Y1105 Y1190 T1193 L1194 K1197V1103-I1107 HydrophobicContact CG1-CD1 3.98Å; V1103-I1107 HydrophobicContact CG1-CG1 4.46Å; V1103-I1107 VanDerWaalsContact O-CG1 3.29Å; V1103-I1107 WeakPolarHBondContact O-CG1 3.38Å; V1103-I1107 PolarHBondContact O-N 3.27Å; Y1105-I1107 VanDerWaalsContact C-N 3.29Å; Y1105-I1107 PolarHBondContact O-N 3.44Å; I1107-Y1190 HydrophobicContact CD1-CD1 4.04Å; I1107-T1193 HydrophobicContact CD1-CG2 4.09Å; I1107-L1194 HydrophobicContact CD1-CB 4.21Å; I1107-L1194 HydrophobicContact CG1-CB 3.78Å; I1107-L1194 HydrophobicContact CG1-CD1 3.84Å; I1107-L1194 HydrophobicContact CG1-CG 4.32Å; I1107-K1197 HydrophobicContact CG2-CD 4.14Å
1108Q82.9Confident79.1Confident64 Ų6446.1 Ų46.130%0.29927%0.268SS..Hα-helixtrans-80.8-45.8176-175178.1-26.700110.9K1104 Y1105 Y1106 C1110 A1111 S1112K1104-Q1108 PolarHBondContact O-N 3.02Å; Y1105-Q1108 WeakPolarHBondContact O-CA 3.29Å; Y1105-Q1108 WeakPolarHBondContact O-CB 3.33Å; Y1105-Q1108 PolarHBondContact O-N 3.17Å; Y1106-Q1108 PolarHBondContact O-N 3.23Å; Q1108-C1110 PolarHBondContact O-N 3.17Å; Q1108-A1111 WeakPolarHBondContact O-CB 3.47Å; Q1108-A1111 PolarHBondContact O-N 2.87Å; Q1108-S1112 PolarHBondContact O-N 3.09Å
1109A79.6Confident78.5Confident15 Ų1549.4 Ų49.412%0.12429%0.291CS..Hα-helixtrans-62.9-41.6178.300000112.9Y1105 Y1106 A1111 S1112 Q1113Y1105-A1109 PolarHBondContact O-N 3.4Å; Y1106-A1109 PolarHBondContact O-N 2.96Å; A1109-A1111 PolarHBondContact O-N 3.11Å; A1109-A1111 VanDerWaalsContact O-N 3.12Å; A1109-S1112 PolarHBondContact O-N 3.38Å; A1109-S1112 VanDerWaalsContact O-N 3.1Å; A1109-S1112 PolarHBondContact O-OG 3.17Å; A1109-S1112 VanDerWaalsContact O-OG 3.06Å; A1109-Q1113 PolarHBondContact O-N 2.97Å
1110C76.1Confident78Confident25 Ų2554 Ų5417%0.16931%0.308CS..Hα-helixtrans-67.9-6.9174-64.60000114.1Y1106 Q1108 Q1113Y1106-C1110 VanDerWaalsContact O-CB 3.3Å; Y1106-C1110 WeakPolarHBondContact O-CB 3.18Å; Y1106-C1110 PolarHBondContact O-N 3.04Å; Y1106-C1110 PolarHBondContact O-SG 2.85Å; Q1108-C1110 PolarHBondContact O-N 3.17Å; C1110-Q1113 CarbonylContact C-O 3.59Å
1111A70.4Confident77.8Confident79 Ų7953.8 Ų53.865%0.65331%0.307SS*.Hα-helixtrans-92.6-21.2172.200000112.8Q1108 A1109Q1108-A1111 WeakPolarHBondContact O-CB 3.47Å; Q1108-A1111 PolarHBondContact O-N 2.87Å; A1109-A1111 PolarHBondContact O-N 3.11Å; A1109-A1111 VanDerWaalsContact O-N 3.12Å
1112S66.1Low77.5Confident81 Ų8154 Ų5457%0.56631%0.305SS*.Hα-helixtrans-98.2-32.9175.552.90000113.2Q1108 A1109Q1108-S1112 PolarHBondContact O-N 3.09Å; A1109-S1112 PolarHBondContact O-N 3.38Å; A1109-S1112 VanDerWaalsContact O-N 3.1Å; A1109-S1112 PolarHBondContact O-OG 3.17Å; A1109-S1112 VanDerWaalsContact O-OG 3.06Å
1113Q58.8Low77.3Confident137 Ų13761.3 Ų61.364%0.6434%0.337SS*.SBendtrans-113.2140.3176.1-62.8-175.20.900111.5A1109 C1110 G1115A1109-Q1113 PolarHBondContact O-N 2.97Å; C1110-Q1113 CarbonylContact C-O 3.59Å; Q1113-G1115 PolarHBondContact O-N 3Å
1114H49.1Very low77.3Confident207 Ų20761.6 Ų61.696%0.95834%0.338SS*.  trans-72.881.9-177.4-83.4-30.3000113.7S1116H1114-S1116 PolarHBondContact O-N 3.41Å
1115G54.6Low77.2Confident36 Ų3657.7 Ų57.737%0.37132%0.321SS..SBendtrans89.2-7.613700000120Q1113Q1113-G1115 PolarHBondContact O-N 3Å
1116S63.8Low77.2Confident103 Ų10362 Ų6272%0.7234%0.34SS*.  trans-88.6111.7177.258.70000112.6H1114H1114-S1116 PolarHBondContact O-N 3.41Å
1117L75.8Confident77.3Confident17 Ų1763.7 Ų63.79%0.08935%0.349CS..  trans-77.4143.4167.4-77.4172.5000111Y1106 S1119 F1121 L1194 S1198 V1200 L1202Y1106-L1117 HydrophobicContact CD1-CD2 4.25Å; Y1106-L1117 HydrophobicContact CG-CD2 4.3Å; L1117-S1119 PolarHBondContact O-N 3.16Å; L1117-F1121 HydrophobicContact CD2-CD1 4.17Å; L1117-F1121 HydrophobicContact CD2-CE1 4.36Å; L1117-L1194 HydrophobicContact CD1-CG 4.49Å; L1117-L1194 HydrophobicContact CD2-CD1 4.37Å; L1117-L1194 HydrophobicContact CD2-CD2 4.33Å; L1117-S1198 WeakPolarHBondContact CD1-OG 3.41Å; L1117-V1200 HydrophobicContact CD1-CB 4.22Å; L1117-V1200 HydrophobicContact CD1-CG2 4.3Å; L1117-L1202 HydrophobicContact CD1-CD1 4.08Å; L1117-L1202 HydrophobicContact CD1-CD2 4.39Å
1118P82Confident77.5Confident22 Ų2262.6 Ų62.614%0.14334%0.344CS..  trans-64.6128.3172.6-23.234.5000111.7Y1106 R1120 F1121 E1122Y1106-P1118 HydrophobicContact CE1-CG 3.91Å; P1118-R1120 PolarHBondContact O-N 3.07Å; P1118-F1121 HydrophobicContact CB-CB 4.34Å; P1118-F1121 WeakPolarHBondContact O-CA 3.39Å; P1118-F1121 WeakPolarHBondContact O-CB 3.35Å; P1118-F1121 PolarHBondContact O-N 3.17Å; P1118-E1122 PolarHBondContact O-N 2.93Å
1119S80.8Confident77.6Confident69 Ų6959.8 Ų59.848%0.48333%0.332SS..Hα-helixtrans-59.1-21.1178.2610000114.4L1117 K1123L1117-S1119 PolarHBondContact O-N 3.16Å; S1119-K1123 WeakPolarHBondContact O-CG 3.49Å; S1119-K1123 PolarHBondContact O-N 3.06Å
1120R83.3Confident77.9Confident99 Ų9961.8 Ų61.837%0.37435%0.345SS..Hα-helixtrans-68.6-40.3170.5-65.6177.5-177-102.8-10.3112Q1053 P1118 K1123 L1124Q1053-R1120 VanDerWaalsContact OE1-NE 3.1Å; P1118-R1120 PolarHBondContact O-N 3.07Å; R1120-K1123 PolarHBondContact O-N 3.37Å; R1120-L1124 PolarHBondContact O-N 2.82Å
1121F86.7Confident78.2Confident3 Ų365.1 Ų65.11%0.01336%0.358CS..Hα-helixtrans-68.2-39.8177.3176-101.6000111.1T1061 L1102 V1103 Y1106 L1117 P1118 K1123 L1124 V1125 L1194 L1202T1061-F1121 HydrophobicContact CG2-CB 4.29Å; T1061-F1121 HydrophobicContact CG2-CD2 4.46Å; L1102-F1121 HydrophobicContact CD2-CD2 4Å; L1102-F1121 HydrophobicContact CD2-CE2 3.88Å; L1102-F1121 HydrophobicContact CG-CD2 4.35Å; L1102-F1121 HydrophobicContact CG-CE2 3.97Å; V1103-F1121 HydrophobicContact CG2-CZ 3.99Å; Y1106-F1121 HydrophobicContact CD2-CD1 4.25Å; Y1106-F1121 AromaticContact CD2-CD2 3.73Å; Y1106-F1121 HydrophobicContact CD2-CD2 3.73Å; Y1106-F1121 HydrophobicContact CD2-CE1 4.15Å; Y1106-F1121 AromaticContact CD2-CE2 3.62Å; Y1106-F1121 HydrophobicContact CD2-CE2 3.62Å; Y1106-F1121 HydrophobicContact CD2-CG 4.04Å; Y1106-F1121 AromaticContact CD2-CZ 3.83Å; Y1106-F1121 HydrophobicContact CD2-CZ 3.83Å; Y1106-F1121 HydrophobicContact CE2-CB 4.25Å; Y1106-F1121 HydrophobicContact CE2-CD1 4.37Å; Y1106-F1121 AromaticContact CE2-CD2 3.39Å; Y1106-F1121 HydrophobicContact CE2-CD2 3.39Å; Y1106-F1121 AromaticContact CE2-CE2 3.75Å; Y1106-F1121 HydrophobicContact CE2-CE2 3.75Å; Y1106-F1121 AromaticContact CE2-CG 3.74Å; Y1106-F1121 HydrophobicContact CE2-CG 3.74Å; Y1106-F1121 HydrophobicContact CE2-CZ 4.36Å; L1117-F1121 HydrophobicContact CD2-CD1 4.17Å; L1117-F1121 HydrophobicContact CD2-CE1 4.36Å; P1118-F1121 HydrophobicContact CB-CB 4.34Å; P1118-F1121 WeakPolarHBondContact O-CA 3.39Å; P1118-F1121 WeakPolarHBondContact O-CB 3.35Å; P1118-F1121 PolarHBondContact O-N 3.17Å; F1121-K1123 VanDerWaalsContact C-N 3.33Å; F1121-K1123 PolarHBondContact O-N 3.32Å; F1121-L1124 WeakPolarHBondContact O-CB 3.34Å; F1121-L1124 PolarHBondContact O-N 2.79Å; F1121-L1124 VanDerWaalsContact O-N 3.13Å; F1121-V1125 HydrophobicContact CD1-CG2 4.34Å; F1121-V1125 HydrophobicContact CE1-CG2 3.86Å; F1121-V1125 HydrophobicContact CE2-CG2 4.13Å; F1121-V1125 HydrophobicContact CZ-CG2 3.75Å; F1121-V1125 WeakPolarHBondContact O-CG2 3.46Å; F1121-V1125 PolarHBondContact O-N 3.49Å; F1121-L1194 HydrophobicContact CE1-CD2 3.65Å; F1121-L1194 HydrophobicContact CZ-CD2 3.97Å; F1121-L1202 HydrophobicContact CE1-CD1 4.25Å
1122E85.9Confident79Confident52 Ų5261.4 Ų61.424%0.24333%0.327CS..Hα-helixtrans-60-42.2172.8-61.8-174.4-174.100112.2P1118 L1124 V1125 K1126 L1202P1118-E1122 PolarHBondContact O-N 2.93Å; E1122-L1124 VanDerWaalsContact C-N 3.34Å; E1122-L1124 PolarHBondContact O-N 2.62Å; E1122-V1125 PolarHBondContact O-N 3.15Å; E1122-K1126 PolarHBondContact O-N 3.4Å; E1122-L1202 HydrophobicContact CB-CD2 4.49Å; E1122-L1202 HydrophobicContact CG-CD2 4Å
1123K87.4Confident80Confident157 Ų15758 Ų5868%0.68330%0.303SS*.Hα-helixtrans-62.8-38.2173.4-73.1177.9-179.1-172.70112.5S1119 R1120 F1121 K1126 L1127S1119-K1123 WeakPolarHBondContact O-CG 3.49Å; S1119-K1123 PolarHBondContact O-N 3.06Å; R1120-K1123 PolarHBondContact O-N 3.37Å; F1121-K1123 VanDerWaalsContact C-N 3.33Å; F1121-K1123 PolarHBondContact O-N 3.32Å; K1123-K1126 PolarHBondContact O-N 2.96Å; K1123-L1127 WeakPolarHBondContact O-CB 3.38Å; K1123-L1127 PolarHBondContact O-N 3.17Å
1124L89.1Confident81.4Confident5 Ų553.7 Ų53.73%0.02629%0.287CS..Hα-helixtrans-64.4-43.3175.7-174.870000111.8T1061 L1064 G1065 L1068 L1099 L1102 R1120 F1121 E1122 K1126 L1127 S1128T1061-L1124 HydrophobicContact CG2-CD2 4.28Å; L1064-L1124 HydrophobicContact CB-CD1 4.01Å; L1064-L1124 HydrophobicContact CB-CD2 4.07Å; L1064-L1124 HydrophobicContact CD1-CD2 4.2Å; G1065-L1124 VanDerWaalsContact CA-CD1 3.5Å; L1068-L1124 HydrophobicContact CD1-CD1 3.61Å; L1068-L1124 HydrophobicContact CD1-CG 4.32Å; L1099-L1124 HydrophobicContact CD2-CD2 4.18Å; L1099-L1124 HydrophobicContact CD2-CG 4.47Å; L1102-L1124 HydrophobicContact CD2-CD2 4Å; R1120-L1124 PolarHBondContact O-N 2.82Å; F1121-L1124 WeakPolarHBondContact O-CB 3.34Å; F1121-L1124 PolarHBondContact O-N 2.79Å; F1121-L1124 VanDerWaalsContact O-N 3.13Å; E1122-L1124 VanDerWaalsContact C-N 3.34Å; E1122-L1124 PolarHBondContact O-N 2.62Å; L1124-K1126 VanDerWaalsContact C-N 3.34Å; L1124-L1127 WeakPolarHBondContact O-CB 3.42Å; L1124-L1127 PolarHBondContact O-N 3.33Å; L1124-S1128 PolarHBondContact O-N 3.45Å; L1124-S1128 PolarHBondContact O-OG 3.47Å
1125V88.6Confident83.1Confident0 Ų046.7 Ų46.70%025%0.254CS..Hα-helixtrans-66.5-36.1175.3176.90000111.4F1121 E1122 S1128 G1129 L1191 L1202 M1206F1121-V1125 HydrophobicContact CD1-CG2 4.34Å; F1121-V1125 HydrophobicContact CE1-CG2 3.86Å; F1121-V1125 HydrophobicContact CE2-CG2 4.13Å; F1121-V1125 HydrophobicContact CZ-CG2 3.75Å; F1121-V1125 WeakPolarHBondContact O-CG2 3.46Å; F1121-V1125 PolarHBondContact O-N 3.49Å; E1122-V1125 PolarHBondContact O-N 3.15Å; V1125-S1128 PolarHBondContact O-OG 2.99Å; V1125-G1129 PolarHBondContact O-N 2.96Å; V1125-G1129 VanDerWaalsContact O-N 3.16Å; V1125-L1191 HydrophobicContact CG1-CD1 3.88Å; V1125-L1191 HydrophobicContact CG1-CD2 3.9Å; V1125-L1191 HydrophobicContact CG2-CD2 3.94Å; V1125-L1202 HydrophobicContact CG1-CB 4.2Å; V1125-M1206 HydrophobicContact CG1-CE 3.85Å; V1125-M1206 WeakPolarHBondContact O-CE 3.37Å
1126K88.8Confident84.7Confident104 Ų10445 Ų4545%0.45224%0.237SC..Hα-helixtrans-62.4-46.1171.2-176.1179.4178.5-173.30111.4E1122 K1123 L1124 G1129 S1130 Y1205E1122-K1126 PolarHBondContact O-N 3.4Å; K1123-K1126 PolarHBondContact O-N 2.96Å; L1124-K1126 VanDerWaalsContact C-N 3.34Å; K1126-G1129 PolarHBondContact O-N 3.47Å; K1126-S1130 PolarHBondContact O-N 3.47Å; K1126-S1130 PolarHBondContact O-OG 2.92Å; K1126-S1130 VanDerWaalsContact O-OG 3.11Å; K1126-Y1205 HydrophobicContact CB-CD1 4.15Å; K1126-Y1205 HydrophobicContact CB-CD2 3.89Å; K1126-Y1205 HydrophobicContact CB-CE1 4.46Å; K1126-Y1205 HydrophobicContact CB-CE2 4.21Å; K1126-Y1205 HydrophobicContact CB-CG 3.84Å; K1126-Y1205 HydrophobicContact CD-CD1 3.94Å; K1126-Y1205 HydrophobicContact CD-CE1 3.84Å; K1126-Y1205 HydrophobicContact CG-CD1 3.7Å; K1126-Y1205 HydrophobicContact CG-CD2 4.37Å; K1126-Y1205 HydrophobicContact CG-CE1 4.09Å; K1126-Y1205 HydrophobicContact CG-CG 3.85Å
1127L88.5Confident85.7Confident40 Ų4041.2 Ų41.221%0.20921%0.207CC..Hα-helixtrans-60.2-46.4-179.3-175.270000112G1065 L1068 K1123 L1124 G1129 H1131G1065-L1127 WeakPolarHBondContact O-CD2 3.32Å; L1068-L1127 HydrophobicContact CB-CD2 4.04Å; L1068-L1127 HydrophobicContact CB-CG 4.46Å; L1068-L1127 HydrophobicContact CD1-CD2 4.32Å; K1123-L1127 WeakPolarHBondContact O-CB 3.38Å; K1123-L1127 PolarHBondContact O-N 3.17Å; L1124-L1127 WeakPolarHBondContact O-CB 3.42Å; L1124-L1127 PolarHBondContact O-N 3.33Å; L1127-G1129 VanDerWaalsContact C-N 3.34Å; L1127-G1129 PolarHBondContact O-N 3.25Å; L1127-H1131 HydrophobicContact CD1-CB 4.45Å; L1127-H1131 WeakPolarHBondContact O-CB 3.39Å; L1127-H1131 PolarHBondContact O-N 3.03Å
1128S89.5Confident86.1Confident0 Ų043 Ų430%022%0.22CC..Iπ-helixtrans-63-40176.6600000112L1124 V1125 L1132 T1133 Y1187L1124-S1128 PolarHBondContact O-N 3.45Å; L1124-S1128 PolarHBondContact O-OG 3.47Å; V1125-S1128 PolarHBondContact O-OG 2.99Å; S1128-L1132 PolarHBondContact O-N 2.91Å; S1128-T1133 PolarHBondContact O-N 3.42Å; S1128-T1133 PolarHBondContact O-OG1 3.4Å; S1128-Y1187 PolarHBondContact OG-OH 3.03Å
1129G85.1Confident86.2Confident5 Ų541.9 Ų41.95%0.05221%0.214CC..Iπ-helixtrans-75.2-34.1-178.500000115.8V1125 K1126 L1127 P1134 Y1205 M1206V1125-G1129 PolarHBondContact O-N 2.96Å; V1125-G1129 VanDerWaalsContact O-N 3.16Å; K1126-G1129 PolarHBondContact O-N 3.47Å; L1127-G1129 VanDerWaalsContact C-N 3.34Å; L1127-G1129 PolarHBondContact O-N 3.25Å; G1129-P1134 WeakPolarHBondContact O-CD 3.47Å; G1129-Y1205 CarbonylContact C-O 3.54Å; G1129-M1206 WeakPolarHBondContact CA-SD 3.43Å
1130S85.3Confident86.3Confident57 Ų5739 Ų3940%0.39919%0.192SC..Iπ-helixtrans-97.4-29.2-176.471.20000114.9K1126K1126-S1130 PolarHBondContact O-N 3.47Å; K1126-S1130 PolarHBondContact O-OG 2.92Å; K1126-S1130 VanDerWaalsContact O-OG 3.11Å
1131H82.6Confident86.3Confident95 Ų9536.8 Ų36.844%0.4419%0.19SC..Iπ-helixtrans-101.7-59.2178.9-64.8-98.6000111.4L1127 Q1135L1127-H1131 HydrophobicContact CD1-CB 4.45Å; L1127-H1131 WeakPolarHBondContact O-CB 3.39Å; L1127-H1131 PolarHBondContact O-N 3.03Å; H1131-Q1135 VanDerWaalsContact O-CG 3.28Å; H1131-Q1135 WeakPolarHBondContact O-CG 3.43Å
1132L87.3Confident86Confident1 Ų139.6 Ų39.61%0.00520%0.201CC..Iπ-helixtrans-74.6-53-169.6-169.266.2000113.5L1068 L1071 V1075 L1092 Y1096 S1128 Q1135 C1136L1068-L1132 HydrophobicContact CD2-CD2 3.49Å; L1068-L1132 VanDerWaalsContact CD2-CD2 3.49Å; L1071-L1132 HydrophobicContact CB-CD1 4.22Å; V1075-L1132 HydrophobicContact CG2-CD1 4.26Å; L1092-L1132 HydrophobicContact CD2-CD1 3.97Å; L1092-L1132 HydrophobicContact CD2-CD2 4.34Å; Y1096-L1132 HydrophobicContact CE2-CD2 4Å; Y1096-L1132 HydrophobicContact CE2-CG 4.45Å; S1128-L1132 PolarHBondContact O-N 2.91Å; L1132-Q1135 PolarHBondContact O-N 3.29Å; L1132-C1136 PolarHBondContact O-N 2.96Å; L1132-C1136 PolarHBondContact O-SG 3.1Å; L1132-C1136 VanDerWaalsContact O-SG 3.34Å
1133T87.8Confident85.5Confident9 Ų938.2 Ų38.26%0.05520%0.199CC..Hα-helixtrans-58.4-43.7-172.5-570000114Y1096 S1128 Y1137 I1184Y1096-T1133 VanDerWaalsContact OH-CA 3.22Å; Y1096-T1133 WeakPolarHBondContact OH-CA 3.35Å; Y1096-T1133 PolarHBondContact OH-N 2.95Å; Y1096-T1133 PolarHBondContact OH-OG1 3.33Å; S1128-T1133 PolarHBondContact O-N 3.42Å; S1128-T1133 PolarHBondContact O-OG1 3.4Å; T1133-Y1137 HydrophobicContact CG2-CD2 4.41Å; T1133-Y1137 HydrophobicContact CG2-CE2 3.86Å; T1133-Y1137 VanDerWaalsContact O-CD2 3.23Å; T1133-Y1137 WeakPolarHBondContact O-CD2 3.18Å; T1133-Y1137 PolarHBondContact O-N 3.49Å; T1133-I1184 HydrophobicContact CG2-CG2 4.14Å
1134P86.8Confident84.8Confident47 Ų4735.7 Ų35.731%0.30519%0.189SC..Hα-helixtrans-63.2-46.4176.5-21.834.9000111.9G1129 C1136 Y1137 S1138G1129-P1134 WeakPolarHBondContact O-CD 3.47Å; P1134-C1136 VanDerWaalsContact C-N 3.32Å; P1134-C1136 PolarHBondContact O-N 2.98Å; P1134-Y1137 PolarHBondContact O-N 2.71Å; P1134-S1138 PolarHBondContact O-N 3.47Å; P1134-S1138 PolarHBondContact O-OG 2.85Å
1135Q86.6Confident83.6Confident60 Ų6037.9 Ų37.928%0.2821%0.205SC..Hα-helixtrans-68.5-30.9-177.7-58.6-65.635.500112.3V1075 Q1076 H1131 L1132 Y1137 S1138 F1139V1075-Q1135 HydrophobicContact CG1-CB 3.7Å; V1075-Q1135 VanDerWaalsContact CG1-O 3.28Å; V1075-Q1135 WeakPolarHBondContact CG1-O 3.45Å; Q1076-Q1135 HydrophobicContact CG-CB 4.42Å; Q1076-Q1135 HydrophobicContact CG-CG 4.09Å; Q1076-Q1135 VanDerWaalsContact NE2-NE2 3.16Å; H1131-Q1135 VanDerWaalsContact O-CG 3.28Å; H1131-Q1135 WeakPolarHBondContact O-CG 3.43Å; L1132-Q1135 PolarHBondContact O-N 3.29Å; Q1135-Y1137 VanDerWaalsContact C-N 3.25Å; Q1135-Y1137 PolarHBondContact O-N 2.94Å; Q1135-S1138 WeakPolarHBondContact O-CB 3.11Å; Q1135-S1138 PolarHBondContact O-N 2.91Å; Q1135-S1138 PolarHBondContact OE1-OG 3.44Å; Q1135-F1139 WeakPolarHBondContact O-CB 3.39Å; Q1135-F1139 PolarHBondContact O-N 3.3Å
1136C86.9Confident82Confident0 Ų040.6 Ų40.60%023%0.233CC..Hα-helixtrans-58-37.2169.6-71.80000112.4L1132 P1134 I1140L1132-C1136 PolarHBondContact O-N 2.96Å; L1132-C1136 PolarHBondContact O-SG 3.1Å; L1132-C1136 VanDerWaalsContact O-SG 3.34Å; P1134-C1136 VanDerWaalsContact C-N 3.32Å; P1134-C1136 PolarHBondContact O-N 2.98Å; C1136-I1140 WeakPolarHBondContact O-CB 3.43Å; C1136-I1140 WeakPolarHBondContact O-CD1 3.46Å; C1136-I1140 WeakPolarHBondContact O-CG1 3.35Å; C1136-I1140 PolarHBondContact O-N 2.93Å
1137Y85.9Confident79.8Confident23 Ų2342 Ų429%0.0924%0.242CC..Hα-helixtrans-73.6-34.1176.1-69.6-59000112.9T1133 P1134 Q1135 I1140 T1141 S1209T1133-Y1137 HydrophobicContact CG2-CD2 4.41Å; T1133-Y1137 HydrophobicContact CG2-CE2 3.86Å; T1133-Y1137 VanDerWaalsContact O-CD2 3.23Å; T1133-Y1137 WeakPolarHBondContact O-CD2 3.18Å; T1133-Y1137 PolarHBondContact O-N 3.49Å; P1134-Y1137 PolarHBondContact O-N 2.71Å; Q1135-Y1137 VanDerWaalsContact C-N 3.25Å; Q1135-Y1137 PolarHBondContact O-N 2.94Å; Y1137-I1140 HydrophobicContact CD1-CD1 4.33Å; Y1137-T1141 PolarHBondContact O-N 3.34Å; Y1137-T1141 PolarHBondContact O-OG1 2.93Å; Y1137-S1209 WeakPolarHBondContact OH-CB 3.45Å
1138S83.6Confident77.2Confident54 Ų5443.9 Ų43.938%0.37826%0.258SS..Hα-helixtrans-61.1-51.2170-48.90000110.6P1134 Q1135 I1140 T1141 Y1142P1134-S1138 PolarHBondContact O-N 3.47Å; P1134-S1138 PolarHBondContact O-OG 2.85Å; Q1135-S1138 WeakPolarHBondContact O-CB 3.11Å; Q1135-S1138 PolarHBondContact O-N 2.91Å; Q1135-S1138 PolarHBondContact OE1-OG 3.44Å; S1138-I1140 PolarHBondContact O-N 2.9Å; S1138-T1141 WeakPolarHBondContact O-CA 3.38Å; S1138-T1141 VanDerWaalsContact O-CB 3.32Å; S1138-T1141 WeakPolarHBondContact O-CB 3.46Å; S1138-T1141 PolarHBondContact O-N 3.16Å; S1138-Y1142 PolarHBondContact O-N 2.75Å
1139F84.7Confident74.3Confident0 Ų050.7 Ų50.70%029%0.294CS..Hα-helixtrans-61.5-41.1179-174.6-95.6000113.6I987 V1075 L1079 T1085 L1088 L1089 Q1135 T1141 Y1142 A1143I987-F1139 HydrophobicContact CD1-CB 4.48Å; I987-F1139 HydrophobicContact CD1-CD2 3.59Å; I987-F1139 HydrophobicContact CD1-CE2 4.31Å; V1075-F1139 HydrophobicContact CG1-CB 3.75Å; V1075-F1139 HydrophobicContact CG1-CG 4.32Å; V1075-F1139 VanDerWaalsContact O-CD2 3.25Å; V1075-F1139 WeakPolarHBondContact O-CD2 3.46Å; L1079-F1139 HydrophobicContact CD1-CE2 4.3Å; L1079-F1139 HydrophobicContact CD1-CZ 4.34Å; T1085-F1139 HydrophobicContact CG2-CE1 4Å; T1085-F1139 HydrophobicContact CG2-CZ 3.78Å; L1088-F1139 HydrophobicContact CD2-CE1 4.06Å; L1088-F1139 HydrophobicContact CD2-CE2 3.96Å; L1088-F1139 HydrophobicContact CD2-CZ 3.64Å; L1089-F1139 HydrophobicContact CD2-CD1 4.02Å; L1089-F1139 HydrophobicContact CD2-CE1 3.95Å; L1089-F1139 HydrophobicContact CG-CE1 4.12Å; Q1135-F1139 WeakPolarHBondContact O-CB 3.39Å; Q1135-F1139 PolarHBondContact O-N 3.3Å; F1139-T1141 PolarHBondContact O-N 3.02Å; F1139-Y1142 PolarHBondContact O-N 3.43Å; F1139-A1143 VanDerWaalsContact O-CB 3.29Å; F1139-A1143 WeakPolarHBondContact O-CB 3.43Å; F1139-A1143 PolarHBondContact O-N 2.92Å
1140I82.9Confident71.8Confident7 Ų756.8 Ų56.84%0.03633%0.333CS..Hα-helixtrans-58.9-40.7172.8-73.1162.8000110.3L1089 C1136 Y1137 S1138 A1143 Q1144 I1177 L1180 I1181L1089-I1140 HydrophobicContact CD2-CG1 4.4Å; C1136-I1140 WeakPolarHBondContact O-CB 3.43Å; C1136-I1140 WeakPolarHBondContact O-CD1 3.46Å; C1136-I1140 WeakPolarHBondContact O-CG1 3.35Å; C1136-I1140 PolarHBondContact O-N 2.93Å; Y1137-I1140 HydrophobicContact CD1-CD1 4.33Å; S1138-I1140 PolarHBondContact O-N 2.9Å; I1140-A1143 PolarHBondContact O-N 3.07Å; I1140-Q1144 WeakPolarHBondContact O-CB 3.49Å; I1140-Q1144 VanDerWaalsContact O-CG 3.24Å; I1140-Q1144 WeakPolarHBondContact O-CG 3.44Å; I1140-Q1144 PolarHBondContact O-N 2.78Å; I1140-Q1144 VanDerWaalsContact O-N 3.11Å; I1140-Q1144 PolarHBondContact O-OE1 3.18Å; I1140-I1177 HydrophobicContact CD1-CG2 4.44Å; I1140-I1177 HydrophobicContact CG1-CG2 4.3Å; I1140-I1177 HydrophobicContact CG2-CG2 3.73Å; I1140-L1180 HydrophobicContact CD1-CD2 4.01Å; I1140-L1180 HydrophobicContact CD1-CG 4.47Å; I1140-L1180 HydrophobicContact CG1-CD2 4.31Å; I1140-I1181 HydrophobicContact CD1-CG1 4.2Å
1141T82.3Confident69.5Low54 Ų5457 Ų5733%0.33134%0.344SS..Hα-helixtrans-67-45.5179.1-47.80000110.7Y1137 S1138 F1139 A1143 Q1144 S1145 R1215Y1137-T1141 PolarHBondContact O-N 3.34Å; Y1137-T1141 PolarHBondContact O-OG1 2.93Å; S1138-T1141 WeakPolarHBondContact O-CA 3.38Å; S1138-T1141 VanDerWaalsContact O-CB 3.32Å; S1138-T1141 WeakPolarHBondContact O-CB 3.46Å; S1138-T1141 PolarHBondContact O-N 3.16Å; F1139-T1141 PolarHBondContact O-N 3.02Å; T1141-A1143 PolarHBondContact O-N 3.42Å; T1141-Q1144 CarbonylContact O-C 3.6Å; T1141-Q1144 WeakPolarHBondContact O-CB 3.4Å; T1141-Q1144 PolarHBondContact O-N 3.21Å; T1141-Q1144 VanDerWaalsContact O-N 3.11Å; T1141-S1145 WeakPolarHBondContact O-CB 3.16Å; T1141-S1145 PolarHBondContact O-N 2.96Å; T1141-S1145 PolarHBondContact O-OG 2.76Å; T1141-R1215 PolarHBondContact OG1-NH1 3.44Å
1142Y80.4Confident66.9Low62 Ų6260.5 Ų60.524%0.24337%0.366CS..Hα-helixtrans-58.7-46173.7171.2-101.8000113I987 S1138 F1139 Q1144 S1145 G1146I987-Y1142 HydrophobicContact CB-CD2 4.38Å; I987-Y1142 HydrophobicContact CB-CG 4.45Å; I987-Y1142 HydrophobicContact CD1-CD1 4.06Å; I987-Y1142 HydrophobicContact CD1-CG 4.18Å; I987-Y1142 HydrophobicContact CG1-CD1 3.94Å; I987-Y1142 HydrophobicContact CG1-CD2 4.1Å; I987-Y1142 HydrophobicContact CG1-CE1 4.21Å; I987-Y1142 HydrophobicContact CG1-CE2 4.34Å; I987-Y1142 HydrophobicContact CG1-CG 3.88Å; I987-Y1142 HydrophobicContact CG2-CD2 3.7Å; I987-Y1142 HydrophobicContact CG2-CE2 4.49Å; I987-Y1142 HydrophobicContact CG2-CG 3.79Å; S1138-Y1142 PolarHBondContact O-N 2.75Å; F1139-Y1142 PolarHBondContact O-N 3.43Å; Y1142-Q1144 PolarHBondContact O-N 3.16Å; Y1142-S1145 WeakPolarHBondContact CA-OG 3.26Å; Y1142-S1145 PolarHBondContact O-N 3.32Å; Y1142-S1145 VanDerWaalsContact O-N 3.17Å; Y1142-S1145 PolarHBondContact O-OG 3.42Å; Y1142-G1146 PolarHBondContact O-N 3.13Å; Y1142-G1146 VanDerWaalsContact O-N 3.1Å
1143A76.5Confident64.4Low23 Ų2367.3 Ų67.319%0.1940%0.402CS..Hα-helixtrans-65-18.9177.300000113.3T1085 F1139 I1140 T1141T1085-A1143 HydrophobicContact CG2-CB 4.06Å; F1139-A1143 VanDerWaalsContact O-CB 3.29Å; F1139-A1143 WeakPolarHBondContact O-CB 3.43Å; F1139-A1143 PolarHBondContact O-N 2.92Å; I1140-A1143 PolarHBondContact O-N 3.07Å; T1141-A1143 PolarHBondContact O-N 3.42Å
1144Q72.1Confident61.9Low103 Ų10375.8 Ų75.848%0.48144%0.438SS..Hα-helixtrans-93.2-33.7172-71.1172.1-29.900112.6I1140 T1141 Y1142 I1177I1140-Q1144 WeakPolarHBondContact O-CB 3.49Å; I1140-Q1144 VanDerWaalsContact O-CG 3.24Å; I1140-Q1144 WeakPolarHBondContact O-CG 3.44Å; I1140-Q1144 PolarHBondContact O-N 2.78Å; I1140-Q1144 VanDerWaalsContact O-N 3.11Å; I1140-Q1144 PolarHBondContact O-OE1 3.18Å; T1141-Q1144 CarbonylContact O-C 3.6Å; T1141-Q1144 WeakPolarHBondContact O-CB 3.4Å; T1141-Q1144 PolarHBondContact O-N 3.21Å; T1141-Q1144 VanDerWaalsContact O-N 3.11Å; Y1142-Q1144 PolarHBondContact O-N 3.16Å; Q1144-I1177 HydrophobicContact CG-CD1 4.29Å
1145S63.3Low59.3Low51 Ų5183.8 Ų83.836%0.35747%0.468SS..Hα-helixtrans-86.9-7.4-174.969.40000114.6T1141 Y1142 E1147 S1148T1141-S1145 WeakPolarHBondContact O-CB 3.16Å; T1141-S1145 PolarHBondContact O-N 2.96Å; T1141-S1145 PolarHBondContact O-OG 2.76Å; Y1142-S1145 WeakPolarHBondContact CA-OG 3.26Å; Y1142-S1145 PolarHBondContact O-N 3.32Å; Y1142-S1145 VanDerWaalsContact O-N 3.17Å; Y1142-S1145 PolarHBondContact O-OG 3.42Å; S1145-E1147 PolarHBondContact O-N 2.85Å; S1145-S1148 PolarHBondContact O-N 3.31Å
1146G55.1Low56.8Low58 Ų5887.7 Ų87.760%0.59848%0.484SS*.THydrogen-bonded Turntrans-61.57.3171.800000115.7Y1142Y1142-G1146 PolarHBondContact O-N 3.13Å; Y1142-G1146 VanDerWaalsContact O-N 3.1Å
1147E43Very low54.2Low134 Ų13498 Ų9863%0.62653%0.529SS*.THydrogen-bonded Turntrans-89.2-13.2176.7-63.8-166.3138.700114.3S1145S1145-E1147 PolarHBondContact O-N 2.85Å
1148S33.7Very low51.6Low78 Ų78107 Ų10755%0.54557%0.569SS.*  trans-135.491.7-172.761.40000114.2S1145S1145-S1148 PolarHBondContact O-N 3.31Å
1149N29.4Very low49.2Very low143 Ų143111.8 Ų111.877%0.76558%0.578SS**  trans-141.988.7161.8-148.38.9000111.4G1151N1149-G1151 VanDerWaalsContact C-N 3.28Å; N1149-G1151 PolarHBondContact O-N 2.74Å
1150P32.8Very low46.9Very low134 Ų134116.7 Ų116.787%0.8761%0.605SS**  trans-88.448.8-176.237.3-35.6000112.3
1151G35.4Very low44.8Very low60 Ų60124.9 Ų124.962%0.61964%0.643SS**  trans-161.156.2-166.700000117.4N1149N1149-G1151 VanDerWaalsContact C-N 3.28Å; N1149-G1151 PolarHBondContact O-N 2.74Å
1152D28.7Very low43Very low169 Ų169127.6 Ų127.690%0.90466%0.659SS**  trans-158.7108.4146.9-164.614.5000110.6
1153D34.2Very low41.3Very low145 Ų145129 Ų12978%0.77567%0.671SS**  trans-120.6152.1-167.7-157.63.2000113
1154K35.3Very low39.7Very low186 Ų186130.9 Ų130.981%0.80969%0.687SS**SBendtrans89.848178.5-51.8165.1-177.2165.50118.7
1155K33.2Very low38.4Very low216 Ų216129.1 Ų129.194%0.93969%0.689SS**SBendtrans-159.4-5.4142.2-116.8164.5-171.9175.10119.5
1156K34Very low37.7Very low142 Ų142128.5 Ų128.562%0.61769%0.687SS**  trans-108.624.4-168.3-91176-176.5162.80117.6K1158 R1159K1156-K1158 PolarHBondContact O-N 2.94Å; K1156-R1159 PolarHBondContact O-N 3.43Å; K1156-R1159 VanDerWaalsContact O-N 3.14Å
1157K32Very low37.2Very low216 Ų216127.7 Ų127.794%0.93967%0.673SS**THydrogen-bonded Turntrans-63.43.9-172.6-145.6173.5-172.9172.80117.4
1158K31.2Very low37.4Very low213 Ų213123.5 Ų123.593%0.92666%0.661SS**THydrogen-bonded Turntrans-118.64.2177.1-142.3177.4-173.6178.70114.9K1156K1156-K1158 PolarHBondContact O-N 2.94Å
1159R33.9Very low38.1Very low153 Ų153124.5 Ų124.558%0.57766%0.655SS**THydrogen-bonded Turntrans-110.6-11.9-176.6-159.1168.8178175.4-4.6114.2K1156K1156-R1159 PolarHBondContact O-N 3.43Å; K1156-R1159 VanDerWaalsContact O-N 3.14Å
1160N34.8Very low39Very low104 Ų104119.5 Ų119.556%0.55663%0.629SS**Hα-helixtrans-81.2-29.9-167-70.610.1000115.2V1162 N1163 A1164N1160-V1162 VanDerWaalsContact C-N 3.34Å; N1160-V1162 PolarHBondContact O-N 3.45Å; N1160-N1163 PolarHBondContact O-N 3.06Å; N1160-A1164 PolarHBondContact O-N 3.49Å; N1160-A1164 VanDerWaalsContact O-N 3.1Å
1161E40.4Very low39.8Very low179 Ų179117.6 Ų117.684%0.83661%0.61SS**Hα-helixtrans-64.6-36.3-179.3-68.4-177.5151.900113A1165E1161-A1165 PolarHBondContact O-N 2.9Å
1162V43.3Very low40.6Very low111 Ų111125.1 Ų125.167%0.67362%0.62SS**Hα-helixtrans-71.3-38.4179.2-177.90000111.3N1160 A1165 A1166N1160-V1162 VanDerWaalsContact C-N 3.34Å; N1160-V1162 PolarHBondContact O-N 3.45Å; V1162-A1165 PolarHBondContact O-N 3.23Å; V1162-A1166 PolarHBondContact O-N 3.35Å; V1162-A1166 VanDerWaalsContact O-N 3.09Å
1163N44.2Very low41.7Very low91 Ų91120.1 Ų120.149%0.48759%0.591SS.*Hα-helixtrans-70.3-36.7179.3-72.88.6000112N1160 A1165 A1166 S1167N1160-N1163 PolarHBondContact O-N 3.06Å; N1163-A1165 VanDerWaalsContact C-N 3.35Å; N1163-A1165 PolarHBondContact O-N 3.48Å; N1163-A1166 PolarHBondContact O-N 3.33Å; N1163-S1167 PolarHBondContact O-N 2.93Å
1164A43.7Very low42.6Very low63 Ų63116.8 Ų116.852%0.52158%0.576SS.*Hα-helixtrans-61.8-41.6174.500000112N1160 S1167 A1168N1160-A1164 PolarHBondContact O-N 3.49Å; N1160-A1164 VanDerWaalsContact O-N 3.1Å; A1164-S1167 PolarHBondContact O-N 3.48Å; A1164-A1168 WeakPolarHBondContact O-CB 3.45Å; A1164-A1168 PolarHBondContact O-N 3.13Å
1165A45.6Very low43.9Very low65 Ų65112.7 Ų112.754%0.53757%0.567SS.*Hα-helixtrans-67.7-34.5175.300000113E1161 V1162 N1163 K1169E1161-A1165 PolarHBondContact O-N 2.9Å; V1162-A1165 PolarHBondContact O-N 3.23Å; N1163-A1165 VanDerWaalsContact C-N 3.35Å; N1163-A1165 PolarHBondContact O-N 3.48Å; A1165-K1169 PolarHBondContact O-N 3.39Å; A1165-K1169 VanDerWaalsContact O-N 3.13Å
1166A47.4Very low45.8Very low38 Ų38103.2 Ų103.231%0.31453%0.529SS..Hα-helixtrans-68.3-42.9174.500000112.1V1162 N1163 K1169 L1170V1162-A1166 PolarHBondContact O-N 3.35Å; V1162-A1166 VanDerWaalsContact O-N 3.09Å; N1163-A1166 PolarHBondContact O-N 3.33Å; A1166-K1169 WeakPolarHBondContact O-CB 3.31Å; A1166-K1169 PolarHBondContact O-N 2.89Å; A1166-K1169 VanDerWaalsContact O-N 3.15Å; A1166-L1170 PolarHBondContact O-N 3.01Å
1167S45.3Very low48Very low41 Ų4197.6 Ų97.629%0.28751%0.505SS..Hα-helixtrans-63.9-44.2174.2-177.90000111.9N1163 A1164 K1169 L1170 L1171N1163-S1167 PolarHBondContact O-N 2.93Å; A1164-S1167 PolarHBondContact O-N 3.48Å; S1167-K1169 PolarHBondContact O-N 2.83Å; S1167-K1169 VanDerWaalsContact O-N 3.13Å; S1167-L1170 WeakPolarHBondContact O-CA 3.36Å; S1167-L1170 VanDerWaalsContact O-CB 3.24Å; S1167-L1170 WeakPolarHBondContact O-CB 3.32Å; S1167-L1170 PolarHBondContact O-N 2.99Å; S1167-L1171 PolarHBondContact O-N 3.17Å
1168A46.5Very low50.4Low46 Ų4690.9 Ų90.938%0.3848%0.484SS..Hα-helixtrans-61.9-21.8173.300000113.8A1164 R1172A1164-A1168 WeakPolarHBondContact O-CB 3.45Å; A1164-A1168 PolarHBondContact O-N 3.13Å; A1168-R1172 WeakPolarHBondContact O-CG 3.42Å
1169K49.8Very low53Low99 Ų9985 Ų8543%0.4346%0.462SS..Hα-helixtrans-82.1-39170.8-164.9177.7-176.2-91.50111.7A1165 A1166 S1167 L1171 R1172 E1173A1165-K1169 PolarHBondContact O-N 3.39Å; A1165-K1169 VanDerWaalsContact O-N 3.13Å; A1166-K1169 WeakPolarHBondContact O-CB 3.31Å; A1166-K1169 PolarHBondContact O-N 2.89Å; A1166-K1169 VanDerWaalsContact O-N 3.15Å; S1167-K1169 PolarHBondContact O-N 2.83Å; S1167-K1169 VanDerWaalsContact O-N 3.13Å; K1169-L1171 VanDerWaalsContact C-N 3.29Å; K1169-L1171 PolarHBondContact O-N 2.98Å; K1169-R1172 CarbonylContact O-C 2.95Å; K1169-R1172 PolarHBondContact O-N 3.25Å; K1169-E1173 VanDerWaalsContact CE-OE1 3.32Å; K1169-E1173 WeakPolarHBondContact CE-OE1 3.48Å; K1169-E1173 IonicContact NZ-OE1 2.95Å; K1169-E1173 PolarHBondContact NZ-OE1 2.97Å; K1169-E1173 IonicContact NZ-OE2 3.38Å; K1169-E1173 PolarHBondContact O-N 3.31Å
1170L48.6Very low55.5Low39 Ų3977.7 Ų77.720%0.20444%0.435CS..Hα-helixtrans-55.4-45.4171.6-154.583.6000111V1086 A1166 S1167 R1172 E1173 T1174V1086-L1170 HydrophobicContact CG2-CD1 3.49Å; V1086-L1170 VanDerWaalsContact CG2-CD1 3.49Å; A1166-L1170 PolarHBondContact O-N 3.01Å; S1167-L1170 WeakPolarHBondContact O-CA 3.36Å; S1167-L1170 VanDerWaalsContact O-CB 3.24Å; S1167-L1170 WeakPolarHBondContact O-CB 3.32Å; S1167-L1170 PolarHBondContact O-N 2.99Å; L1170-R1172 VanDerWaalsContact C-N 3.3Å; L1170-R1172 PolarHBondContact O-N 3.3Å; L1170-E1173 CarbonylContact O-C 3.54Å; L1170-E1173 PolarHBondContact O-N 3.25Å; L1170-T1174 PolarHBondContact O-N 2.77Å
1171L48.2Very low58Low93 Ų9374.6 Ų74.649%0.48742%0.418SS..Hα-helixtrans-60.1-32.9174.6-80.6161000113.6S1167 K1169 T1174S1167-L1171 PolarHBondContact O-N 3.17Å; K1169-L1171 VanDerWaalsContact C-N 3.29Å; K1169-L1171 PolarHBondContact O-N 2.98Å; L1171-T1174 VanDerWaalsContact O-CG2 3.28Å; L1171-T1174 WeakPolarHBondContact O-CG2 3.46Å; L1171-T1174 PolarHBondContact O-OG1 3.19Å
1172R52.7Low60.3Low219 Ų21971.5 Ų71.583%0.82640%0.402SS*.Hα-helixtrans-80.8-21173.7-68.7177.4-171.7174.94.1113.5A1168 K1169 L1170A1168-R1172 WeakPolarHBondContact O-CG 3.42Å; K1169-R1172 CarbonylContact O-C 2.95Å; K1169-R1172 PolarHBondContact O-N 3.25Å; L1170-R1172 VanDerWaalsContact C-N 3.3Å; L1170-R1172 PolarHBondContact O-N 3.3Å
1173E50.8Low62.5Low64 Ų6466.9 Ų66.930%0.29937%0.374SS..THydrogen-bonded Turntrans-99.119.5179-69.3179.4-163.400112.5K1169 L1170 T1175 A1176K1169-E1173 VanDerWaalsContact CE-OE1 3.32Å; K1169-E1173 WeakPolarHBondContact CE-OE1 3.48Å; K1169-E1173 IonicContact NZ-OE1 2.95Å; K1169-E1173 PolarHBondContact NZ-OE1 2.97Å; K1169-E1173 IonicContact NZ-OE2 3.38Å; K1169-E1173 PolarHBondContact O-N 3.31Å; L1170-E1173 CarbonylContact O-C 3.54Å; L1170-E1173 PolarHBondContact O-N 3.25Å; E1173-T1175 PolarHBondContact O-N 2.89Å; E1173-A1176 PolarHBondContact O-N 3.44Å
1174T53.1Low64.6Low75 Ų7562.5 Ų62.546%0.4635%0.351SS..THydrogen-bonded Turntrans-61.21.9179.436.70000115.7L1170 L1171 A1176 P1178L1170-T1174 PolarHBondContact O-N 2.77Å; L1171-T1174 VanDerWaalsContact O-CG2 3.28Å; L1171-T1174 WeakPolarHBondContact O-CG2 3.46Å; L1171-T1174 PolarHBondContact O-OG1 3.19Å; T1174-A1176 VanDerWaalsContact C-N 3.28Å; T1174-A1176 PolarHBondContact O-N 3.32Å; T1174-P1178 WeakPolarHBondContact O-CD 3.43Å
1175T63.3Low66.8Low100 Ų10061.9 Ų61.961%0.61334%0.337SS*.THydrogen-bonded Turntrans-69.1-22.4173.856.40000113.4E1173 N1179E1173-T1175 PolarHBondContact O-N 2.89Å; T1175-N1179 WeakPolarHBondContact O-CB 3.42Å; T1175-N1179 PolarHBondContact O-N 3.4Å; T1175-N1179 PolarHBondContact O-ND2 3.46Å; T1175-N1179 VanDerWaalsContact O-ND2 3.17Å
1176A72.8Confident68.9Low16 Ų1660.8 Ų60.813%0.13232%0.321CS..Hα-helixtrans-67.8-38.9-177.500000113.7L1089 E1173 T1174 N1179 L1180L1089-A1176 HydrophobicContact CB-CB 4.05Å; L1089-A1176 HydrophobicContact CD1-CB 4.4Å; E1173-A1176 PolarHBondContact O-N 3.44Å; T1174-A1176 VanDerWaalsContact C-N 3.28Å; T1174-A1176 PolarHBondContact O-N 3.32Å; A1176-N1179 PolarHBondContact O-N 2.9Å; A1176-L1180 PolarHBondContact O-N 2.88Å
1177I80.6Confident71Confident24 Ų2459 Ų5912%0.12331%0.306CS..Hα-helixtrans-68.1-49.5-177.6-62.8171.2000111.7L1089 I1140 Q1144 N1179 L1180 I1181L1089-I1177 HydrophobicContact CD1-CD1 4.45Å; L1089-I1177 HydrophobicContact CD1-CG1 3.79Å; L1089-I1177 HydrophobicContact CD2-CG1 4.45Å; I1140-I1177 HydrophobicContact CD1-CG2 4.44Å; I1140-I1177 HydrophobicContact CG1-CG2 4.3Å; I1140-I1177 HydrophobicContact CG2-CG2 3.73Å; Q1144-I1177 HydrophobicContact CG-CD1 4.29Å; I1177-N1179 VanDerWaalsContact C-N 3.28Å; I1177-N1179 PolarHBondContact O-N 3.33Å; I1177-L1180 PolarHBondContact O-N 3.3Å; I1177-I1181 HydrophobicContact CG2-CD1 3.99Å; I1177-I1181 WeakPolarHBondContact O-CG1 3.41Å; I1177-I1181 PolarHBondContact O-N 3.4Å
1178P82.8Confident73.1Confident75 Ų7558.1 Ų58.149%0.48730%0.298SS..Hα-helixtrans-58.1-37.4172.7-25.835.5000113.3T1174 I1181 F1182T1174-P1178 WeakPolarHBondContact O-CD 3.43Å; P1178-I1181 PolarHBondContact O-N 2.93Å; P1178-F1182 VanDerWaalsContact O-CB 3.28Å; P1178-F1182 WeakPolarHBondContact O-CB 3.42Å; P1178-F1182 PolarHBondContact O-N 3.47Å
1179N85.6Confident75.2Confident89 Ų8961.2 Ų61.248%0.47630%0.303SS..Hα-helixtrans-65.8-39.3176.8-73.8-17000112.3S1093 T1175 A1176 I1177 S1183S1093-N1179 PolarHBondContact OG-O 3.48Å; T1175-N1179 WeakPolarHBondContact O-CB 3.42Å; T1175-N1179 PolarHBondContact O-N 3.4Å; T1175-N1179 PolarHBondContact O-ND2 3.46Å; T1175-N1179 VanDerWaalsContact O-ND2 3.17Å; A1176-N1179 PolarHBondContact O-N 2.9Å; I1177-N1179 VanDerWaalsContact C-N 3.28Å; I1177-N1179 PolarHBondContact O-N 3.33Å; N1179-S1183 WeakPolarHBondContact O-CB 3.41Å; N1179-S1183 PolarHBondContact O-N 2.9Å; N1179-S1183 PolarHBondContact O-OG 2.67Å; N1179-S1183 VanDerWaalsContact O-OG 3.08Å
1180L86.6Confident77.1Confident0 Ų059.8 Ų59.80%030%0.295CS..Hα-helixtrans-63.8-48.9173.6175.255.4000111.3L1089 L1092 Y1096 I1140 A1176 I1177 F1182 S1183 I1184L1089-L1180 HydrophobicContact CD2-CD2 3.67Å; L1092-L1180 HydrophobicContact CB-CD1 3.68Å; L1092-L1180 HydrophobicContact CB-CD2 4.15Å; L1092-L1180 HydrophobicContact CD1-CD2 4.13Å; Y1096-L1180 HydrophobicContact CD2-CD1 3.89Å; Y1096-L1180 HydrophobicContact CE2-CD1 4.2Å; I1140-L1180 HydrophobicContact CD1-CD2 4.01Å; I1140-L1180 HydrophobicContact CD1-CG 4.47Å; I1140-L1180 HydrophobicContact CG1-CD2 4.31Å; A1176-L1180 PolarHBondContact O-N 2.88Å; I1177-L1180 PolarHBondContact O-N 3.3Å; L1180-F1182 VanDerWaalsContact C-N 3.32Å; L1180-F1182 PolarHBondContact O-N 2.79Å; L1180-S1183 PolarHBondContact O-N 3.12Å; L1180-S1183 VanDerWaalsContact O-N 3.15Å; L1180-I1184 HydrophobicContact CD1-CD1 4Å; L1180-I1184 HydrophobicContact CD1-CG1 4.29Å; L1180-I1184 HydrophobicContact CG-CD1 4.14Å; L1180-I1184 WeakPolarHBondContact O-CG1 3.43Å; L1180-I1184 PolarHBondContact O-N 2.99Å
1181I86.4Confident79Confident39 Ų3957.9 Ų57.920%0.229%0.285CS..Hα-helixtrans-58.7-45.3177.7-64.6168.2000110.6I1140 I1177 P1178 S1183 I1184 E1185I1140-I1181 HydrophobicContact CD1-CG1 4.2Å; I1177-I1181 HydrophobicContact CG2-CD1 3.99Å; I1177-I1181 WeakPolarHBondContact O-CG1 3.41Å; I1177-I1181 PolarHBondContact O-N 3.4Å; P1178-I1181 PolarHBondContact O-N 2.93Å; I1181-S1183 PolarHBondContact O-N 3.36Å; I1181-I1184 PolarHBondContact O-N 3.24Å; I1181-E1185 HydrophobicContact CG2-CG 4.49Å; I1181-E1185 WeakPolarHBondContact O-CG 3.34Å; I1181-E1185 PolarHBondContact O-N 3.17Å
1182F88.6Confident80.8Confident114 Ų11456.7 Ų56.750%0.528%0.279SS..Hα-helixtrans-61.3-40.8176.2176.6-98.6000112.7P1178 L1180 I1184 E1185 Q1186P1178-F1182 VanDerWaalsContact O-CB 3.28Å; P1178-F1182 WeakPolarHBondContact O-CB 3.42Å; P1178-F1182 PolarHBondContact O-N 3.47Å; L1180-F1182 VanDerWaalsContact C-N 3.32Å; L1180-F1182 PolarHBondContact O-N 2.79Å; F1182-I1184 VanDerWaalsContact C-N 3.34Å; F1182-I1184 PolarHBondContact O-N 3.33Å; F1182-E1185 PolarHBondContact O-N 3.21Å; F1182-Q1186 HydrophobicContact CD1-CG 4.2Å; F1182-Q1186 HydrophobicContact CE1-CG 3.71Å; F1182-Q1186 HydrophobicContact CE2-CG 4.11Å; F1182-Q1186 VanDerWaalsContact CE2-NE2 3.34Å; F1182-Q1186 HydrophobicContact CZ-CG 3.67Å; F1182-Q1186 WeakPolarHBondContact O-CG 3.26Å; F1182-Q1186 PolarHBondContact O-N 3.36Å
1183S89.6Confident82.4Confident14 Ų1449 Ų4910%0.09826%0.256CS..Hα-helixtrans-63.4-38.9176.1-68.10000112.2S1093 N1179 L1180 I1181 Q1186 Y1187S1093-S1183 PolarHBondContact O-OG 3.45Å; S1093-S1183 PolarHBondContact OG-OG 3.11Å; N1179-S1183 WeakPolarHBondContact O-CB 3.41Å; N1179-S1183 PolarHBondContact O-N 2.9Å; N1179-S1183 PolarHBondContact O-OG 2.67Å; N1179-S1183 VanDerWaalsContact O-OG 3.08Å; L1180-S1183 PolarHBondContact O-N 3.12Å; L1180-S1183 VanDerWaalsContact O-N 3.15Å; I1181-S1183 PolarHBondContact O-N 3.36Å; S1183-Q1186 PolarHBondContact O-N 2.83Å; S1183-Y1187 WeakPolarHBondContact O-CB 3.4Å; S1183-Y1187 PolarHBondContact O-N 3.19Å
1184I89.6Confident84.1Confident0 Ų046 Ų460%024%0.242CC..Hα-helixtrans-65.3-48.8173.9-63.5165.4000110.3Y1096 T1133 L1180 I1181 F1182 Q1186 Y1187 E1188Y1096-I1184 HydrophobicContact CD1-CG1 4.04Å; Y1096-I1184 HydrophobicContact CD2-CD1 4.41Å; Y1096-I1184 HydrophobicContact CD2-CG1 3.71Å; Y1096-I1184 HydrophobicContact CE1-CG1 4Å; Y1096-I1184 HydrophobicContact CE2-CD1 4.04Å; Y1096-I1184 HydrophobicContact CE2-CG1 3.69Å; Y1096-I1184 HydrophobicContact CG-CG1 3.91Å; T1133-I1184 HydrophobicContact CG2-CG2 4.14Å; L1180-I1184 HydrophobicContact CD1-CD1 4Å; L1180-I1184 HydrophobicContact CD1-CG1 4.29Å; L1180-I1184 HydrophobicContact CG-CD1 4.14Å; L1180-I1184 WeakPolarHBondContact O-CG1 3.43Å; L1180-I1184 PolarHBondContact O-N 2.99Å; I1181-I1184 PolarHBondContact O-N 3.24Å; F1182-I1184 VanDerWaalsContact C-N 3.34Å; F1182-I1184 PolarHBondContact O-N 3.33Å; I1184-Q1186 VanDerWaalsContact C-N 3.3Å; I1184-Q1186 PolarHBondContact O-N 2.73Å; I1184-Y1187 WeakPolarHBondContact O-CB 3.45Å; I1184-Y1187 PolarHBondContact O-N 3.2Å; I1184-Y1187 VanDerWaalsContact O-N 3.08Å; I1184-E1188 PolarHBondContact O-N 3.4Å
1185E89Confident85.6Confident49 Ų4943 Ų4323%0.22922%0.224CC..Hα-helixtrans-58.2-38.7176.4-73.3-174.4171.400112.2I1181 F1182 K1189 R1212I1181-E1185 HydrophobicContact CG2-CG 4.49Å; I1181-E1185 WeakPolarHBondContact O-CG 3.34Å; I1181-E1185 PolarHBondContact O-N 3.17Å; F1182-E1185 PolarHBondContact O-N 3.21Å; E1185-K1189 VanDerWaalsContact O-CB 3.28Å; E1185-K1189 WeakPolarHBondContact O-CB 3.45Å; E1185-K1189 PolarHBondContact O-N 2.99Å; E1185-K1189 VanDerWaalsContact O-N 3.1Å; E1185-R1212 IonicContact OE1-CZ 2.85Å; E1185-R1212 IonicContact OE1-NE 2.67Å; E1185-R1212 PolarHBondContact OE1-NE 2.92Å; E1185-R1212 IonicContact OE1-NH2 3.64Å; E1185-R1212 PolarHBondContact OE1-NH2 3.36Å; E1185-R1212 IonicContact OE2-NH2 3.87Å; E1185-R1212 PolarHBondContact OE2-NH2 3.28Å
1186Q89.9Confident86.6Confident42 Ų4246.4 Ų46.420%0.19623%0.231CC..Hα-helixtrans-67.5-42.3173.8-69.9-44.3-64.900112.1F1182 S1183 I1184 K1189 Y1190F1182-Q1186 HydrophobicContact CD1-CG 4.2Å; F1182-Q1186 HydrophobicContact CE1-CG 3.71Å; F1182-Q1186 HydrophobicContact CE2-CG 4.11Å; F1182-Q1186 VanDerWaalsContact CE2-NE2 3.34Å; F1182-Q1186 HydrophobicContact CZ-CG 3.67Å; F1182-Q1186 WeakPolarHBondContact O-CG 3.26Å; F1182-Q1186 PolarHBondContact O-N 3.36Å; S1183-Q1186 PolarHBondContact O-N 2.83Å; I1184-Q1186 VanDerWaalsContact C-N 3.3Å; I1184-Q1186 PolarHBondContact O-N 2.73Å; Q1186-K1189 PolarHBondContact O-N 3.47Å; Q1186-Y1190 VanDerWaalsContact O-CD2 3.23Å; Q1186-Y1190 WeakPolarHBondContact O-CD2 3.31Å; Q1186-Y1190 PolarHBondContact O-N 2.68Å
1187Y91.3Very high87.1Confident1 Ų151 Ų510%0.00425%0.247CC..Hα-helixtrans-59.4-50.2178.5176.6-121.2000111.5Y1096 L1099 T1100 V1103 S1128 S1183 I1184 K1189 Y1190 L1191 M1206Y1096-Y1187 AromaticContact CD1-CD1 3.78Å; Y1096-Y1187 HydrophobicContact CD1-CD1 3.78Å; Y1096-Y1187 HydrophobicContact CD1-CE1 4.39Å; Y1096-Y1187 HydrophobicContact CD1-CG 4.1Å; Y1096-Y1187 AromaticContact CE1-CD1 3.99Å; Y1096-Y1187 HydrophobicContact CE1-CD1 3.99Å; Y1096-Y1187 HydrophobicContact CE1-CE1 4.34Å; L1099-Y1187 HydrophobicContact CB-CD2 3.85Å; L1099-Y1187 HydrophobicContact CB-CE2 3.56Å; L1099-Y1187 HydrophobicContact CD1-CE1 4.47Å; L1099-Y1187 HydrophobicContact CD1-CE2 4.37Å; L1099-Y1187 HydrophobicContact CG-CE2 4.49Å; T1100-Y1187 VanDerWaalsContact OG1-CA 3.32Å; T1100-Y1187 WeakPolarHBondContact OG1-CA 3.28Å; T1100-Y1187 WeakPolarHBondContact OG1-CB 3.12Å; V1103-Y1187 HydrophobicContact CG2-CD2 4.15Å; V1103-Y1187 HydrophobicContact CG2-CE2 3.68Å; S1128-Y1187 PolarHBondContact OG-OH 3.03Å; S1183-Y1187 WeakPolarHBondContact O-CB 3.4Å; S1183-Y1187 PolarHBondContact O-N 3.19Å; I1184-Y1187 WeakPolarHBondContact O-CB 3.45Å; I1184-Y1187 PolarHBondContact O-N 3.2Å; I1184-Y1187 VanDerWaalsContact O-N 3.08Å; Y1187-K1189 PolarHBondContact O-N 3.47Å; Y1187-Y1190 PolarHBondContact O-N 2.93Å; Y1187-L1191 HydrophobicContact CD1-CD1 4Å; Y1187-L1191 HydrophobicContact CD2-CD1 4.4Å; Y1187-L1191 HydrophobicContact CD2-CG 4.37Å; Y1187-L1191 HydrophobicContact CE1-CD1 3.56Å; Y1187-L1191 HydrophobicContact CE1-CG 4.48Å; Y1187-L1191 HydrophobicContact CE2-CD1 3.97Å; Y1187-L1191 HydrophobicContact CE2-CD2 4.32Å; Y1187-L1191 HydrophobicContact CE2-CG 4.05Å; Y1187-L1191 HydrophobicContact CG-CD1 4.41Å; Y1187-L1191 WeakPolarHBondContact O-CG 3.38Å; Y1187-L1191 PolarHBondContact O-N 3.21Å; Y1187-M1206 HydrophobicContact CE1-CE 3.86Å
1188E89.1Confident86.9Confident23 Ų2350.1 Ų50.111%0.10724%0.244CC..Hα-helixtrans-56.4-48.2174.7-70.7176.6-162.400111.8I1184 Y1190 L1191 I1192I1184-E1188 PolarHBondContact O-N 3.4Å; E1188-Y1190 VanDerWaalsContact C-N 3.32Å; E1188-Y1190 PolarHBondContact O-N 3.14Å; E1188-L1191 WeakPolarHBondContact O-CB 3.47Å; E1188-L1191 PolarHBondContact O-N 3.37Å; E1188-L1191 VanDerWaalsContact O-N 3.11Å; E1188-I1192 VanDerWaalsContact O-CG1 3.31Å; E1188-I1192 WeakPolarHBondContact O-CG1 3.34Å; E1188-I1192 PolarHBondContact O-N 3.09Å
1189K90.3Very high86.5Confident111 Ų11156 Ų5648%0.48326%0.262SS..Hα-helixtrans-56.6-41.5178.2175.7-174.5173.3-172.50113.1E1185 Q1186 Y1187 T1193E1185-K1189 VanDerWaalsContact O-CB 3.28Å; E1185-K1189 WeakPolarHBondContact O-CB 3.45Å; E1185-K1189 PolarHBondContact O-N 2.99Å; E1185-K1189 VanDerWaalsContact O-N 3.1Å; Q1186-K1189 PolarHBondContact O-N 3.47Å; Y1187-K1189 PolarHBondContact O-N 3.47Å; K1189-T1193 PolarHBondContact O-N 2.86Å; K1189-T1193 PolarHBondContact O-OG1 2.89Å
1190Y89.8Confident86.3Confident68 Ų6853.6 Ų53.627%0.26725%0.25SS..Hα-helixtrans-75.8-33.4176.6-77.1-72.9000112.1T1100 K1104 I1107 Q1186 Y1187 E1188 T1193 L1194T1100-Y1190 HydrophobicContact CG2-CD2 3.5Å; T1100-Y1190 HydrophobicContact CG2-CE2 4.13Å; T1100-Y1190 HydrophobicContact CG2-CG 4.15Å; K1104-Y1190 HydrophobicContact CD-CE1 4.48Å; K1104-Y1190 HydrophobicContact CG-CD1 3.96Å; K1104-Y1190 HydrophobicContact CG-CE1 4.1Å; K1104-Y1190 HydrophobicContact CG-CG 4.27Å; I1107-Y1190 HydrophobicContact CD1-CD1 4.04Å; Q1186-Y1190 VanDerWaalsContact O-CD2 3.23Å; Q1186-Y1190 WeakPolarHBondContact O-CD2 3.31Å; Q1186-Y1190 PolarHBondContact O-N 2.68Å; Y1187-Y1190 PolarHBondContact O-N 2.93Å; E1188-Y1190 VanDerWaalsContact C-N 3.32Å; E1188-Y1190 PolarHBondContact O-N 3.14Å; Y1190-T1193 WeakPolarHBondContact O-CB 3.31Å; Y1190-T1193 PolarHBondContact O-N 3.2Å; Y1190-T1193 VanDerWaalsContact O-N 3.14Å; Y1190-L1194 PolarHBondContact O-N 2.87Å
1191L88.1Confident86Confident0 Ų057.9 Ų57.90%027%0.273CS..Hα-helixtrans-62.4-40.3171.7-77.4177.1000113.1V1103 V1125 Y1187 E1188 T1193 L1194 S1195 L1202 M1203 M1206V1103-L1191 HydrophobicContact CG1-CD2 4.36Å; V1103-L1191 HydrophobicContact CG2-CD2 3.66Å; V1103-L1191 HydrophobicContact CG2-CG 4.2Å; V1125-L1191 HydrophobicContact CG1-CD1 3.88Å; V1125-L1191 HydrophobicContact CG1-CD2 3.9Å; V1125-L1191 HydrophobicContact CG2-CD2 3.94Å; Y1187-L1191 HydrophobicContact CD1-CD1 4Å; Y1187-L1191 HydrophobicContact CD2-CD1 4.4Å; Y1187-L1191 HydrophobicContact CD2-CG 4.37Å; Y1187-L1191 HydrophobicContact CE1-CD1 3.56Å; Y1187-L1191 HydrophobicContact CE1-CG 4.48Å; Y1187-L1191 HydrophobicContact CE2-CD1 3.97Å; Y1187-L1191 HydrophobicContact CE2-CD2 4.32Å; Y1187-L1191 HydrophobicContact CE2-CG 4.05Å; Y1187-L1191 HydrophobicContact CG-CD1 4.41Å; Y1187-L1191 WeakPolarHBondContact O-CG 3.38Å; Y1187-L1191 PolarHBondContact O-N 3.21Å; E1188-L1191 WeakPolarHBondContact O-CB 3.47Å; E1188-L1191 PolarHBondContact O-N 3.37Å; E1188-L1191 VanDerWaalsContact O-N 3.11Å; L1191-T1193 VanDerWaalsContact C-N 3.26Å; L1191-T1193 PolarHBondContact O-N 3.46Å; L1191-L1194 PolarHBondContact O-N 3.05Å; L1191-S1195 WeakPolarHBondContact O-CB 3.44Å; L1191-S1195 PolarHBondContact O-N 3.04Å; L1191-S1195 PolarHBondContact O-OG 3.38Å; L1191-L1202 HydrophobicContact CD2-CD1 4.08Å; L1191-M1203 HydrophobicContact CB-SD 3.93Å; L1191-M1206 HydrophobicContact CD1-CE 3.82Å; L1191-M1206 HydrophobicContact CD1-CG 4.47Å
1192I87Confident85.8Confident68 Ų6856.1 Ų56.135%0.34926%0.264SS..Hα-helixtrans-59.2-41.4172.4-65.2166.6000110.2E1188 K1196 M1203E1188-I1192 VanDerWaalsContact O-CG1 3.31Å; E1188-I1192 WeakPolarHBondContact O-CG1 3.34Å; E1188-I1192 PolarHBondContact O-N 3.09Å; I1192-K1196 HydrophobicContact CG2-CD 4.37Å; I1192-K1196 WeakPolarHBondContact O-CG 3.45Å; I1192-K1196 PolarHBondContact O-N 3.17Å; I1192-M1203 HydrophobicContact CD1-CE 4.29Å; I1192-M1203 HydrophobicContact CG1-CE 3.92Å; I1192-M1203 HydrophobicContact CG1-CG 3.84Å; I1192-M1203 HydrophobicContact CG1-SD 3.63Å
1193T86.5Confident85.5Confident57 Ų5752.9 Ų52.935%0.3525%0.251SS..Hα-helixtrans-67.3-40.8178.4-55.50000111.7I1107 K1189 Y1190 L1191 K1197I1107-T1193 HydrophobicContact CD1-CG2 4.09Å; K1189-T1193 PolarHBondContact O-N 2.86Å; K1189-T1193 PolarHBondContact O-OG1 2.89Å; Y1190-T1193 WeakPolarHBondContact O-CB 3.31Å; Y1190-T1193 PolarHBondContact O-N 3.2Å; Y1190-T1193 VanDerWaalsContact O-N 3.14Å; L1191-T1193 VanDerWaalsContact C-N 3.26Å; L1191-T1193 PolarHBondContact O-N 3.46Å; T1193-K1197 PolarHBondContact O-N 3.29Å
1194L85.4Confident84.9Confident0 Ų057.9 Ų57.90%027%0.273CS..Hα-helixtrans-66.4-48.5176.1-178.155.4000111.4V1103 I1107 L1117 F1121 Y1190 L1191 K1196 K1197 S1198 L1202V1103-L1194 HydrophobicContact CG1-CB 4.13Å; V1103-L1194 HydrophobicContact CG1-CD2 4.08Å; I1107-L1194 HydrophobicContact CD1-CB 4.21Å; I1107-L1194 HydrophobicContact CG1-CB 3.78Å; I1107-L1194 HydrophobicContact CG1-CD1 3.84Å; I1107-L1194 HydrophobicContact CG1-CG 4.32Å; L1117-L1194 HydrophobicContact CD1-CG 4.49Å; L1117-L1194 HydrophobicContact CD2-CD1 4.37Å; L1117-L1194 HydrophobicContact CD2-CD2 4.33Å; F1121-L1194 HydrophobicContact CE1-CD2 3.65Å; F1121-L1194 HydrophobicContact CZ-CD2 3.97Å; Y1190-L1194 PolarHBondContact O-N 2.87Å; L1191-L1194 PolarHBondContact O-N 3.05Å; L1194-K1196 VanDerWaalsContact C-N 3.28Å; L1194-K1196 PolarHBondContact O-N 2.76Å; L1194-K1197 CarbonylContact O-C 3.57Å; L1194-K1197 WeakPolarHBondContact O-CA 3.47Å; L1194-K1197 PolarHBondContact O-N 3.31Å; L1194-S1198 PolarHBondContact O-N 3.08Å; L1194-S1198 PolarHBondContact O-OG 3.47Å; L1194-L1202 HydrophobicContact CD2-CD1 3.94Å; L1194-L1202 HydrophobicContact CG-CD1 4.16Å
1195S85.6Confident84.4Confident14 Ų1461.3 Ų61.310%0.09829%0.286CS..Hα-helixtrans-57.1-40.1-179.8-57.50000112.5L1191 K1197 K1199 V1200 L1202L1191-S1195 WeakPolarHBondContact O-CB 3.44Å; L1191-S1195 PolarHBondContact O-N 3.04Å; L1191-S1195 PolarHBondContact O-OG 3.38Å; S1195-K1197 VanDerWaalsContact C-N 3.29Å; S1195-K1197 PolarHBondContact O-N 2.9Å; S1195-K1199 WeakPolarHBondContact O-CA 3.46Å; S1195-K1199 PolarHBondContact O-N 2.92Å; S1195-V1200 VanDerWaalsContact CA-O 3.26Å; S1195-V1200 WeakPolarHBondContact CA-O 3.49Å; S1195-V1200 WeakPolarHBondContact CB-O 3.37Å; S1195-V1200 PolarHBondContact OG-O 3.16Å; S1195-L1202 WeakPolarHBondContact OG-CB 3.29Å; S1195-L1202 PolarHBondContact OG-N 3.44Å
1196K84.6Confident83.7Confident171 Ų17159.9 Ų59.974%0.74328%0.28SS*.Hα-helixtrans-64.7-30.1174.8-74.1176.9-179.6-177.40113.3I1192 L1194I1192-K1196 HydrophobicContact CG2-CD 4.37Å; I1192-K1196 WeakPolarHBondContact O-CG 3.45Å; I1192-K1196 PolarHBondContact O-N 3.17Å; L1194-K1196 VanDerWaalsContact C-N 3.28Å; L1194-K1196 PolarHBondContact O-N 2.76Å
1197K82.1Confident82.7Confident111 Ų11166.5 Ų66.548%0.48331%0.308SS..Hα-helixtrans-87.7-42.3179.3-74.4-173172.4-164.80113.3I1107 T1193 L1194 S1195 K1199I1107-K1197 HydrophobicContact CG2-CD 4.14Å; T1193-K1197 PolarHBondContact O-N 3.29Å; L1194-K1197 CarbonylContact O-C 3.57Å; L1194-K1197 WeakPolarHBondContact O-CA 3.47Å; L1194-K1197 PolarHBondContact O-N 3.31Å; S1195-K1197 VanDerWaalsContact C-N 3.29Å; S1195-K1197 PolarHBondContact O-N 2.9Å; K1197-K1199 VanDerWaalsContact C-N 3.35Å
1198S77.6Confident81.1Confident7 Ų774.4 Ų74.45%0.04935%0.349CS..Hα-helixtrans-79.7-16.1-179.364.90000113.7L1117 L1194 V1200L1117-S1198 WeakPolarHBondContact CD1-OG 3.41Å; L1194-S1198 PolarHBondContact O-N 3.08Å; L1194-S1198 PolarHBondContact O-OG 3.47Å; S1198-V1200 PolarHBondContact O-N 2.92Å; S1198-V1200 PolarHBondContact OG-N 3.31Å
1199K74.9Confident79.4Confident198 Ų19875.5 Ų75.586%0.86136%0.359SS*.  trans655.5-170.6-49.2179.1-177.4175.60114.5S1195 K1197S1195-K1199 WeakPolarHBondContact O-CA 3.46Å; S1195-K1199 PolarHBondContact O-N 2.92Å; K1197-K1199 VanDerWaalsContact C-N 3.35Å
1200V80.8Confident77.6Confident39 Ų3973.6 Ų73.624%0.23636%0.357CS..  trans-90.7126.9172.6-178.90000109.1L1117 S1195 S1198 L1202L1117-V1200 HydrophobicContact CD1-CB 4.22Å; L1117-V1200 HydrophobicContact CD1-CG2 4.3Å; S1195-V1200 VanDerWaalsContact CA-O 3.26Å; S1195-V1200 WeakPolarHBondContact CA-O 3.49Å; S1195-V1200 WeakPolarHBondContact CB-O 3.37Å; S1195-V1200 PolarHBondContact OG-O 3.16Å; S1198-V1200 PolarHBondContact O-N 2.92Å; S1198-V1200 PolarHBondContact OG-N 3.31Å; V1200-L1202 HydrophobicContact CG1-CD2 3.83Å; V1200-L1202 HydrophobicContact CG1-CG 4.35Å; V1200-L1202 PolarHBondContact O-N 3.44Å
1201N80.7Confident75.5Confident90 Ų9072.1 Ų72.148%0.48136%0.357SS..  trans-79.582.5178.5-173.310.1000111.7M1203 Q1204N1201-M1203 VanDerWaalsContact C-N 3.29Å; N1201-M1203 PolarHBondContact O-N 3.02Å; N1201-M1203 PolarHBondContact OD1-N 3.49Å; N1201-Q1204 VanDerWaalsContact O-CD 3.27Å; N1201-Q1204 VanDerWaalsContact O-CG 3.22Å; N1201-Q1204 WeakPolarHBondContact O-CG 3.47Å
1202L81.9Confident73.7Confident1 Ų181.5 Ų81.51%0.00539%0.392CS..G310 helixtrans-72.2-24.6177.9-56.6173.2000112.6L1117 F1121 E1122 V1125 L1191 L1194 S1195 V1200 Q1204 Y1205L1117-L1202 HydrophobicContact CD1-CD1 4.08Å; L1117-L1202 HydrophobicContact CD1-CD2 4.39Å; F1121-L1202 HydrophobicContact CE1-CD1 4.25Å; E1122-L1202 HydrophobicContact CB-CD2 4.49Å; E1122-L1202 HydrophobicContact CG-CD2 4Å; V1125-L1202 HydrophobicContact CG1-CB 4.2Å; L1191-L1202 HydrophobicContact CD2-CD1 4.08Å; L1194-L1202 HydrophobicContact CD2-CD1 3.94Å; L1194-L1202 HydrophobicContact CG-CD1 4.16Å; S1195-L1202 WeakPolarHBondContact OG-CB 3.29Å; S1195-L1202 PolarHBondContact OG-N 3.44Å; V1200-L1202 HydrophobicContact CG1-CD2 3.83Å; V1200-L1202 HydrophobicContact CG1-CG 4.35Å; V1200-L1202 PolarHBondContact O-N 3.44Å; L1202-Q1204 PolarHBondContact O-N 3.3Å; L1202-Y1205 PolarHBondContact O-N 3.46Å
1203M81.1Confident71.8Confident47 Ų4783.6 Ų83.623%0.23240%0.404CS..G310 helixtrans-68.6-14.9-178.7-67.8-56.9-62.400113.6L1191 I1192 N1201 Y1205 M1206L1191-M1203 HydrophobicContact CB-SD 3.93Å; I1192-M1203 HydrophobicContact CD1-CE 4.29Å; I1192-M1203 HydrophobicContact CG1-CE 3.92Å; I1192-M1203 HydrophobicContact CG1-CG 3.84Å; I1192-M1203 HydrophobicContact CG1-SD 3.63Å; N1201-M1203 VanDerWaalsContact C-N 3.29Å; N1201-M1203 PolarHBondContact O-N 3.02Å; N1201-M1203 PolarHBondContact OD1-N 3.49Å; M1203-Y1205 PolarHBondContact O-N 2.86Å; M1203-Y1205 VanDerWaalsContact O-N 3.11Å; M1203-M1206 HydrophobicContact CE-CB 3.95Å; M1203-M1206 HydrophobicContact CE-CG 4.31Å; M1203-M1206 PolarHBondContact O-N 3.01Å; M1203-M1206 HydrophobicContact SD-CG 4.38Å
1204Q78.8Confident69.6Low119 Ų11990.5 Ų90.556%0.55643%0.43SS*.G310 helixtrans-61.6-17.4175.176.1-168.7-6.100113.9N1201 L1202N1201-Q1204 VanDerWaalsContact O-CD 3.27Å; N1201-Q1204 VanDerWaalsContact O-CG 3.22Å; N1201-Q1204 WeakPolarHBondContact O-CG 3.47Å; L1202-Q1204 PolarHBondContact O-N 3.3Å
1205Y77.6Confident68Low71 Ų7196.3 Ų96.328%0.27845%0.451SS..G310 helixtrans-96-4.3177.1-52.4-54.9000113.7K1126 G1129 L1202 M1203K1126-Y1205 HydrophobicContact CB-CD1 4.15Å; K1126-Y1205 HydrophobicContact CB-CD2 3.89Å; K1126-Y1205 HydrophobicContact CB-CE1 4.46Å; K1126-Y1205 HydrophobicContact CB-CE2 4.21Å; K1126-Y1205 HydrophobicContact CB-CG 3.84Å; K1126-Y1205 HydrophobicContact CD-CD1 3.94Å; K1126-Y1205 HydrophobicContact CD-CE1 3.84Å; K1126-Y1205 HydrophobicContact CG-CD1 3.7Å; K1126-Y1205 HydrophobicContact CG-CD2 4.37Å; K1126-Y1205 HydrophobicContact CG-CE1 4.09Å; K1126-Y1205 HydrophobicContact CG-CG 3.85Å; G1129-Y1205 CarbonylContact C-O 3.54Å; L1202-Y1205 PolarHBondContact O-N 3.46Å; M1203-Y1205 PolarHBondContact O-N 2.86Å; M1203-Y1205 VanDerWaalsContact O-N 3.11Å
1206M75.8Confident66.2Low20 Ų20102 Ų10210%0.09948%0.479CS..  trans-106.7124.6179.6-62.3-68159.700109.2V1125 G1129 Y1187 L1191 M1203V1125-M1206 HydrophobicContact CG1-CE 3.85Å; V1125-M1206 WeakPolarHBondContact O-CE 3.37Å; G1129-M1206 WeakPolarHBondContact CA-SD 3.43Å; Y1187-M1206 HydrophobicContact CE1-CE 3.86Å; L1191-M1206 HydrophobicContact CD1-CE 3.82Å; L1191-M1206 HydrophobicContact CD1-CG 4.47Å; M1203-M1206 HydrophobicContact CE-CB 3.95Å; M1203-M1206 HydrophobicContact CE-CG 4.31Å; M1203-M1206 PolarHBondContact O-N 3.01Å; M1203-M1206 HydrophobicContact SD-CG 4.38Å
1207K66.9Low64.4Low180 Ų18098 Ų9878%0.78347%0.466SS*.PPolyproline II helixtrans-78.6141.7166.9-68-180179177.50108.7S1209K1207-S1209 PolarHBondContact O-N 3.47Å
1208L57.6Low62.9Low168 Ų16895.3 Ų95.388%0.8847%0.465SS*.PPolyproline II helixtrans-55.7135.4174.2-82149.8000110.4T1210L1208-T1210 PolarHBondContact O-N 3.02Å
1209S54.7Low61.8Low45 Ų4598.3 Ų98.332%0.31549%0.49SS..PPolyproline II helixtrans-68.9118.8-173.745.60000112.6Y1137 K1207 S1211Y1137-S1209 WeakPolarHBondContact OH-CB 3.45Å; K1207-S1209 PolarHBondContact O-N 3.47Å; S1209-S1211 VanDerWaalsContact C-N 3.25Å; S1209-S1211 PolarHBondContact O-N 2.7Å
1210T51.7Low60.6Low72 Ų7292.6 Ų92.644%0.44247%0.472SS..  trans-90.625.2178.356.20000112.7L1208 R1215L1208-T1210 PolarHBondContact O-N 3.02Å; T1210-R1215 PolarHBondContact O-NE 3.08Å; T1210-R1215 PolarHBondContact O-NH2 3.44Å
1211S45.9Very low59.1Low36 Ų3695.2 Ų95.225%0.25248%0.484SS..THydrogen-bonded Turntrans-83.8-11.5-176.6510000114S1209S1209-S1211 VanDerWaalsContact C-N 3.25Å; S1209-S1211 PolarHBondContact O-N 2.7Å
1212R51.5Low58Low198 Ų19894.9 Ų94.975%0.74748%0.482SS*.THydrogen-bonded Turntrans-111.99.4174.1-56.7-173.6-171.4-157.92.2113.1E1185E1185-R1212 IonicContact OE1-CZ 2.85Å; E1185-R1212 IonicContact OE1-NE 2.67Å; E1185-R1212 PolarHBondContact OE1-NE 2.92Å; E1185-R1212 IonicContact OE1-NH2 3.64Å; E1185-R1212 PolarHBondContact OE1-NH2 3.36Å; E1185-R1212 IonicContact OE2-NH2 3.87Å; E1185-R1212 PolarHBondContact OE2-NH2 3.28Å
1213D45.2Very low56.9Low112 Ų11296.9 Ų96.960%0.59950%0.499SS*.SBendtrans-85.8153.2-179.4-133.3-25.2000111.2R1215D1213-R1215 PolarHBondContact O-N 3.26Å
1214F41.4Very low55.7Low202 Ų20296.8 Ų96.889%0.88651%0.505SS*.  trans-71.992.9178.9-85.9-89.7000110.7I1216F1214-I1216 PolarHBondContact O-N 3.46Å
1215R50.7Low55Low121 Ų12195.3 Ų95.346%0.45750%0.501SS..  trans-78.598.7175.2-64-176.2-177.1-163.9-3.7110.7T1141 T1210 D1213T1141-R1215 PolarHBondContact OG1-NH1 3.44Å; T1210-R1215 PolarHBondContact O-NE 3.08Å; T1210-R1215 PolarHBondContact O-NH2 3.44Å; D1213-R1215 PolarHBondContact O-N 3.26Å
1216I48.1Very low54.2Low133 Ų13397.9 Ų97.968%0.68252%0.515SS*.  trans-76.7119.5162-59.2174.2000106.7F1214 A1218 L1221F1214-I1216 PolarHBondContact O-N 3.46Å; I1216-A1218 PolarHBondContact O-N 2.96Å; I1216-A1218 VanDerWaalsContact O-N 3.09Å; I1216-L1221 HydrophobicContact CG2-CD2 4.28Å
1217N48.3Very low53.2Low88 Ų88103.8 Ų103.847%0.47154%0.543SS..  trans-76.597.7176.5-170.6-6.6000109.1A1219 T1220 L1221N1217-A1219 VanDerWaalsContact C-N 3.27Å; N1217-A1219 PolarHBondContact O-N 3.3Å; N1217-A1219 PolarHBondContact OD1-N 3.41Å; N1217-T1220 WeakPolarHBondContact CB-OG1 3.39Å; N1217-T1220 PolarHBondContact ND2-OG1 3.13Å; N1217-T1220 PolarHBondContact O-N 2.96Å; N1217-L1221 PolarHBondContact O-N 2.71Å
1218A49.5Very low52.6Low55 Ų55102 Ų10246%0.45554%0.537SS..Hα-helixtrans-54.5-42.7-176.700000111.9I1216 T1220 L1221 D1222I1216-A1218 PolarHBondContact O-N 2.96Å; I1216-A1218 VanDerWaalsContact O-N 3.09Å; A1218-T1220 VanDerWaalsContact C-N 3.29Å; A1218-T1220 PolarHBondContact O-N 3.48Å; A1218-L1221 CarbonylContact O-C 3.31Å; A1218-L1221 WeakPolarHBondContact O-CA 3.28Å; A1218-L1221 WeakPolarHBondContact O-CB 3.5Å; A1218-L1221 PolarHBondContact O-N 3.24Å; A1218-D1222 WeakPolarHBondContact O-CB 3.36Å; A1218-D1222 VanDerWaalsContact O-CG 3.23Å; A1218-D1222 PolarHBondContact O-N 2.98Å
1219A53.7Low52.2Low69 Ų69101.7 Ų101.757%0.5753%0.531SS*.Hα-helixtrans-61.2-33.7177.900000113.5N1217 A1223N1217-A1219 VanDerWaalsContact C-N 3.27Å; N1217-A1219 PolarHBondContact O-N 3.3Å; N1217-A1219 PolarHBondContact OD1-N 3.41Å; A1219-A1223 WeakPolarHBondContact O-CB 3.28Å; A1219-A1223 PolarHBondContact O-N 2.99Å
1220T49.9Very low51.8Low78 Ų78107.8 Ų107.848%0.47956%0.555SS.*Hα-helixtrans-78.7-28.4175-31.60000112.2N1217 A1218 A1224N1217-T1220 WeakPolarHBondContact CB-OG1 3.39Å; N1217-T1220 PolarHBondContact ND2-OG1 3.13Å; N1217-T1220 PolarHBondContact O-N 2.96Å; A1218-T1220 VanDerWaalsContact C-N 3.29Å; A1218-T1220 PolarHBondContact O-N 3.48Å; T1220-A1224 WeakPolarHBondContact O-CB 3.41Å; T1220-A1224 PolarHBondContact O-N 2.99Å; T1220-A1224 VanDerWaalsContact O-N 3.09Å
1221L50.3Low51.6Low94 Ų94110.1 Ų110.149%0.49257%0.569SS.*Hα-helixtrans-70.7-46.5173.3-167.274.5000110.5I1216 N1217 A1218 A1224 L1225I1216-L1221 HydrophobicContact CG2-CD2 4.28Å; N1217-L1221 PolarHBondContact O-N 2.71Å; A1218-L1221 CarbonylContact O-C 3.31Å; A1218-L1221 WeakPolarHBondContact O-CA 3.28Å; A1218-L1221 WeakPolarHBondContact O-CB 3.5Å; A1218-L1221 PolarHBondContact O-N 3.24Å; L1221-A1224 CarbonylContact O-C 3.54Å; L1221-A1224 PolarHBondContact O-N 3.21Å; L1221-L1225 HydrophobicContact CG-CD1 4.23Å; L1221-L1225 WeakPolarHBondContact O-CB 3.23Å; L1221-L1225 VanDerWaalsContact O-CG 3.23Å; L1221-L1225 WeakPolarHBondContact O-CG 3.38Å; L1221-L1225 PolarHBondContact O-N 3.2Å
1222D57.2Low51.3Low84 Ų84111.3 Ų111.345%0.44959%0.587SS.*Hα-helixtrans-66.7-41178.8-64.2-27000111.2A1218 L1225 Q1226A1218-D1222 WeakPolarHBondContact O-CB 3.36Å; A1218-D1222 VanDerWaalsContact O-CG 3.23Å; A1218-D1222 PolarHBondContact O-N 2.98Å; D1222-L1225 PolarHBondContact O-N 2.94Å; D1222-Q1226 WeakPolarHBondContact O-CB 3.2Å; D1222-Q1226 WeakPolarHBondContact O-CG 3.11Å; D1222-Q1226 PolarHBondContact O-N 2.89Å
1223A59.8Low50.9Low43 Ų43110.4 Ų110.436%0.35559%0.591SS.*Hα-helixtrans-62.4-42.1171.400000112.3A1219 L1225 Q1226 E1227A1219-A1223 WeakPolarHBondContact O-CB 3.28Å; A1219-A1223 PolarHBondContact O-N 2.99Å; A1223-L1225 VanDerWaalsContact C-N 3.29Å; A1223-L1225 PolarHBondContact O-N 3.02Å; A1223-Q1226 PolarHBondContact O-N 3.14Å; A1223-E1227 WeakPolarHBondContact O-CG 3.42Å; A1223-E1227 PolarHBondContact O-N 3.37Å
1224A54.9Low50.4Low44 Ų44111.3 Ų111.336%0.36460%0.601SS.*Hα-helixtrans-70.6-23.3176.700000113.5T1220 L1221 Q1228T1220-A1224 WeakPolarHBondContact O-CB 3.41Å; T1220-A1224 PolarHBondContact O-N 2.99Å; T1220-A1224 VanDerWaalsContact O-N 3.09Å; L1221-A1224 CarbonylContact O-C 3.54Å; L1221-A1224 PolarHBondContact O-N 3.21Å; A1224-Q1228 WeakPolarHBondContact O-CG 3.3Å
1225L63.8Low50Low88 Ų88110.6 Ų110.646%0.46160%0.6SS.*Hα-helixtrans-77.1-41.3170.6-72.7165.1000110.8L1221 D1222 A1223 Q1228 E1229L1221-L1225 HydrophobicContact CG-CD1 4.23Å; L1221-L1225 WeakPolarHBondContact O-CB 3.23Å; L1221-L1225 VanDerWaalsContact O-CG 3.23Å; L1221-L1225 WeakPolarHBondContact O-CG 3.38Å; L1221-L1225 PolarHBondContact O-N 3.2Å; D1222-L1225 PolarHBondContact O-N 2.94Å; A1223-L1225 VanDerWaalsContact C-N 3.29Å; A1223-L1225 PolarHBondContact O-N 3.02Å; L1225-Q1228 WeakPolarHBondContact O-CB 3.29Å; L1225-Q1228 PolarHBondContact O-N 2.93Å; L1225-Q1228 VanDerWaalsContact O-N 3.11Å; L1225-E1229 PolarHBondContact O-N 3.39Å
1226Q61.5Low48.9Very low126 Ų126113.6 Ų113.659%0.58962%0.62SS**Hα-helixtrans-64.2-41.6174.8-73.5172.7-3.700112.4D1222 A1223 Q1228 E1229 E1230D1222-Q1226 WeakPolarHBondContact O-CB 3.2Å; D1222-Q1226 WeakPolarHBondContact O-CG 3.11Å; D1222-Q1226 PolarHBondContact O-N 2.89Å; A1223-Q1226 PolarHBondContact O-N 3.14Å; Q1226-Q1228 PolarHBondContact O-N 3.03Å; Q1226-E1229 PolarHBondContact O-N 3.19Å; Q1226-E1229 VanDerWaalsContact O-N 3.09Å; Q1226-E1230 PolarHBondContact O-N 3.26Å
1227E55.3Low48Very low144 Ų144112.3 Ų112.367%0.67362%0.622SS**Hα-helixtrans-62.1-25.4172.3-74.8-175.6166.500113A1223 T1231A1223-E1227 WeakPolarHBondContact O-CG 3.42Å; A1223-E1227 PolarHBondContact O-N 3.37Å; E1227-T1231 PolarHBondContact O-OG1 3.17Å
1228Q53.3Low47.1Very low143 Ų143116 Ų11667%0.66864%0.637SS**Hα-helixtrans-82.7-24.8173.5-75.6-178.116.300113.5A1224 L1225 Q1226 T1231A1224-Q1228 WeakPolarHBondContact O-CG 3.3Å; L1225-Q1228 WeakPolarHBondContact O-CB 3.29Å; L1225-Q1228 PolarHBondContact O-N 2.93Å; L1225-Q1228 VanDerWaalsContact O-N 3.11Å; Q1226-Q1228 PolarHBondContact O-N 3.03Å; Q1228-T1231 PolarHBondContact O-OG1 3.23Å
1229E50.1Low46.1Very low160 Ų160119.8 Ų119.875%0.74865%0.649SS**Hα-helixtrans-80.1-39.7174.8-70.9-175158.800111.8L1225 Q1226 T1231 G1232L1225-E1229 PolarHBondContact O-N 3.39Å; Q1226-E1229 PolarHBondContact O-N 3.19Å; Q1226-E1229 VanDerWaalsContact O-N 3.09Å; E1229-T1231 PolarHBondContact O-N 3.32Å; E1229-G1232 PolarHBondContact O-N 3.4Å
1230E46.4Very low44.9Very low174 Ų174120.2 Ų120.281%0.81365%0.653SS**Hα-helixtrans-67.9-19.5177.9-71.5-162.1154.400114.1Q1226 G1232Q1226-E1230 PolarHBondContact O-N 3.26Å; E1230-G1232 VanDerWaalsContact C-N 3.33Å
1231T46.2Very low43.9Very low120 Ų120125.9 Ų125.974%0.73667%0.674SS**THydrogen-bonded Turntrans-87.52.9177.844.30000114.1E1227 Q1228 E1229E1227-T1231 PolarHBondContact O-OG1 3.17Å; Q1228-T1231 PolarHBondContact O-OG1 3.23Å; E1229-T1231 PolarHBondContact O-N 3.32Å
1232G41.2Very low42.9Very low61 Ų61130.8 Ų130.863%0.62970%0.695SS**SBendtrans-86.4-20.8-176.200000116.9E1229 E1230E1229-G1232 PolarHBondContact O-N 3.4Å; E1230-G1232 VanDerWaalsContact C-N 3.33Å
1233E41.9Very low41.5Very low180 Ų180132 Ų13284%0.84171%0.709SS**SBendtrans-128.863.5-167.9-66.2-162160.600115
1234T34.2Very low39.9Very low131 Ų131139.2 Ų139.280%0.80474%0.736SS**SBendtrans-162136144.80.10000115.3
1235Q33Very low38.8Very low186 Ų186146.3 Ų146.387%0.86976%0.762SS**  trans75.181.2158.5-61.4-178.4-15.500119.4
1236E28.3Very low37.4Very low185 Ų185148 Ų14886%0.86478%0.777SS**  trans-80.8161.6140.6-72.9-169.1133.400111.2
1237S29Very low35.8Very low106 Ų106151.9 Ų151.974%0.74179%0.793SS**  trans67.6134172.968.80000116
1238Q29.4Very low34.7Very low165 Ų165156.3 Ų156.377%0.77180%0.803SS**  cis-159.1166.75.8-101.4158-30.300107.4
1239D28.4Very low33.7Very low134 Ų134158.9 Ų158.972%0.71781%0.812SS**  cis-155.2143.2-1.7-119.6-21000108.4
1240A28.6Very low32.7Very low79 Ų79161.4 Ų161.465%0.65382%0.82SS**  84.8121.3100.500000117.8
1241E28.4Very low31.9Very low196 Ų196163.2 Ų163.292%0.91682%0.82SS**  trans64.9137.2166.8-56.4-176.3161.400116.9
1242E29Very low31.5Very low198 Ų198167.5 Ų167.593%0.92583%0.828SS**  cis-130.1168.819.6-116.6-175.7163.100113.5
1243S28Very low31.4Very low109 Ų109176.1 Ų176.176%0.76285%0.852SS**  trans-116.4139.7-164.657.20000116
1244Q28Very low30.9Very low195 Ų195175.9 Ų175.991%0.91185%0.853SS**  trans-144.4125.9149.9-73.3-161.8-5.900111.4
1245E31.4Very low30.7Very low193 Ų193178.3 Ų178.390%0.90286%0.855SS**  trans-74.6147.7177.4-73.8-169.3120.900113.9
1246P33Very low30.6Very low122 Ų122177.8 Ų177.879%0.79285%0.854SS**  trans-120.5151.8147.635.2-25.8000114
1247K29.2Very low30.7Very low209 Ų209177.4 Ų177.491%0.90985%0.854SS**  trans-79.4152-169.9-72.9173.9177.2170.10115
1248R31.3Very low30.8Very low237 Ų237181.9 Ų181.989%0.89486%0.861SS**  trans-73.3139.8-175.8-80.1177.2167-176.6-3.3116.1
1249K33.6Very low30.9Very low197 Ų197183 Ų18386%0.85787%0.867SS**  28142.7128.1-61.7-179.5174.6178.90120.3
1250K28.3Very low31.1Very low212 Ų212186.5 Ų186.592%0.92288%0.878SS**  trans-138.1134.6133.5-111.5178.2-176177.40113
1251R30.6Very low31.3Very low212 Ų212194.8 Ų194.880%0.890%0.895SS**  trans-63.8155.1168.2-90.8172.6161.1167.8-7.5111.2
1252K36.6Very low31.5Very low210 Ų210194.7 Ų194.791%0.91389%0.893SS**  -129.7146.3124.2-84.7-171.9173.5-179.20108.7
1253Q39Very low31.7Very low242 Ų242194.4 Ų194.4100%1.13189%0.89SS**  trans-860173.9-69.9171.4-79.600109.6

Retrieved 1,253 of 1,253 residues in 327.8 ms (Link to these results)

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