A0A0D9RDB6_CHLSB Loading...

Mitochondrial basic amino acids transporter

AlphaFold DB , UniProt , Accession A0A0D9RDB6, Species CHLSB (Chlorocebus sabaeus, Green monkey), Gene SLC25A29, Length 306 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
1M57.9Low70.5Confident197 Ų19761 Ų6197%0.9736%0.359SS*.  0-65.40-75-156.5-78.800113.2D4 F5M1-D4 WeakPolarHBondContact CA-OD2 3.35Å; M1-D4 PolarHBondContact N-OD2 3.42Å; M1-D4 PolarHBondContact O-N 3.41Å; M1-F5 WeakPolarHBondContact O-CB 3.49Å; M1-F5 PolarHBondContact O-N 3.43Å
2A69.3Low70.5Confident74 Ų7457.5 Ų57.561%0.61235%0.345SS*.Hα-helixtrans-65.2-40.4-179.100000113.2F5 L6A2-F5 PolarHBondContact O-N 2.98Å; A2-L6 WeakPolarHBondContact O-CG 3.43Å; A2-L6 PolarHBondContact O-N 2.9Å
3L72.4Confident71Confident72 Ų7257.3 Ų57.338%0.37734%0.344SS..Hα-helixtrans-65.4-42.7175.7-73172.8000112.8F5 L6 A7 A276L3-F5 VanDerWaalsContact C-N 3.29Å; L3-F5 PolarHBondContact O-N 3.38Å; L3-L6 PolarHBondContact O-N 3.47Å; L3-A7 WeakPolarHBondContact O-CB 3.38Å; L3-A7 PolarHBondContact O-N 2.95Å; L3-A276 HydrophobicContact CD1-CB 4.17Å; L3-A276 HydrophobicContact CD2-CB 3.71Å; L3-A276 HydrophobicContact CG-CB 4.48Å
4D70.1Confident71.3Confident63 Ų6354.4 Ų54.434%0.33733%0.33SS..Hα-helixtrans-63.7-37.6176.3-48.7-62.7000111.4M1 G8M1-D4 WeakPolarHBondContact CA-OD2 3.35Å; M1-D4 PolarHBondContact N-OD2 3.42Å; M1-D4 PolarHBondContact O-N 3.41Å; D4-G8 PolarHBondContact O-N 3.23Å
5F70.6Confident71.3Confident73 Ų7351.1 Ų51.132%0.3231%0.311SS..Hα-helixtrans-65.9-44.7174.5177.5-98.1000112.2M1 A2 L3 G8 C9 N73 F77M1-F5 WeakPolarHBondContact O-CB 3.49Å; M1-F5 PolarHBondContact O-N 3.43Å; A2-F5 PolarHBondContact O-N 2.98Å; L3-F5 VanDerWaalsContact C-N 3.29Å; L3-F5 PolarHBondContact O-N 3.38Å; F5-G8 PolarHBondContact O-N 2.88Å; F5-C9 VanDerWaalsContact CZ-SG 3.59Å; F5-C9 WeakPolarHBondContact O-CB 3.39Å; F5-C9 PolarHBondContact O-N 3.47Å; F5-C9 PolarHBondContact O-SG 3.33Å; F5-N73 HydrophobicContact CE2-CB 4.36Å; F5-F77 AromaticContact CD2-CD2 3.81Å; F5-F77 HydrophobicContact CD2-CD2 3.81Å; F5-F77 AromaticContact CD2-CE2 3.66Å; F5-F77 HydrophobicContact CD2-CE2 3.66Å; F5-F77 HydrophobicContact CD2-CZ 4.46Å; F5-F77 AromaticContact CE2-CD2 3.53Å; F5-F77 HydrophobicContact CE2-CD2 3.53Å; F5-F77 AromaticContact CE2-CE2 3.63Å; F5-F77 HydrophobicContact CE2-CE2 3.63Å
6L74.1Confident71.6Confident101 Ų10149.7 Ų49.753%0.52930%0.302SS..Hα-helixtrans-63.1-44.7176.1-77.2168.2000111.8A2 L3 G8 C9 A10A2-L6 WeakPolarHBondContact O-CG 3.43Å; A2-L6 PolarHBondContact O-N 2.9Å; L3-L6 PolarHBondContact O-N 3.47Å; L6-G8 VanDerWaalsContact C-N 3.33Å; L6-G8 PolarHBondContact O-N 2.94Å; L6-C9 PolarHBondContact O-N 2.93Å; L6-A10 WeakPolarHBondContact O-CB 3.33Å; L6-A10 PolarHBondContact O-N 3.4Å
7A72.4Confident72Confident1 Ų150.8 Ų50.81%0.00831%0.305CS..Hα-helixtrans-60.4-43.9174.800000111.3L3 C9 A10 G11 V269 V272 L273L3-A7 WeakPolarHBondContact O-CB 3.38Å; L3-A7 PolarHBondContact O-N 2.95Å; A7-C9 PolarHBondContact O-N 3.3Å; A7-A10 PolarHBondContact O-N 3.03Å; A7-G11 PolarHBondContact O-N 3.41Å; A7-V269 HydrophobicContact CB-CG1 4.29Å; A7-V269 WeakPolarHBondContact O-CG2 3.4Å; A7-V272 HydrophobicContact CB-CB 4.11Å; A7-V272 HydrophobicContact CB-CG1 3.8Å; A7-L273 HydrophobicContact CB-CD1 4.4Å; A7-L273 HydrophobicContact CB-CD2 3.73Å; A7-L273 HydrophobicContact CB-CG 3.7Å
8G70.5Confident72.4Confident38 Ų3850.9 Ų50.939%0.39231%0.306SS..Hα-helixtrans-61.1-42174.400000113.1D4 F5 L6 G11 G12D4-G8 PolarHBondContact O-N 3.23Å; F5-G8 PolarHBondContact O-N 2.88Å; L6-G8 VanDerWaalsContact C-N 3.33Å; L6-G8 PolarHBondContact O-N 2.94Å; G8-G11 PolarHBondContact O-N 2.98Å; G8-G12 PolarHBondContact O-N 3.25Å
9C74.4Confident72.5Confident18 Ų1848.2 Ų48.212%0.12229%0.29CS..Hα-helixtrans-65.9-46176.5-69.70000111.9F5 L6 A7 G11 G12 V13F5-C9 VanDerWaalsContact CZ-SG 3.59Å; F5-C9 WeakPolarHBondContact O-CB 3.39Å; F5-C9 PolarHBondContact O-N 3.47Å; F5-C9 PolarHBondContact O-SG 3.33Å; L6-C9 PolarHBondContact O-N 2.93Å; A7-C9 PolarHBondContact O-N 3.3Å; C9-G11 VanDerWaalsContact C-N 3.35Å; C9-G11 PolarHBondContact O-N 3.46Å; C9-G12 PolarHBondContact O-N 2.94Å; C9-V13 WeakPolarHBondContact O-CG2 3.32Å; C9-V13 PolarHBondContact O-N 2.8Å
10A74.3Confident72.8Confident34 Ų3445.8 Ų45.828%0.28128%0.276SS..Hα-helixtrans-61.1-43.7176.400000111.5L6 A7 G12 V13 A14 T268 V272L6-A10 WeakPolarHBondContact O-CB 3.33Å; L6-A10 PolarHBondContact O-N 3.4Å; A7-A10 PolarHBondContact O-N 3.03Å; A10-G12 VanDerWaalsContact C-N 3.33Å; A10-G12 PolarHBondContact O-N 2.98Å; A10-V13 PolarHBondContact O-N 3.28Å; A10-A14 WeakPolarHBondContact O-CB 3.13Å; A10-A14 PolarHBondContact O-N 2.9Å; A10-T268 HydrophobicContact CB-CG2 3.86Å; A10-V272 HydrophobicContact CB-CG2 4.03Å
11G69.5Low73Confident0 Ų044.2 Ų44.20%027%0.266CS..Hα-helixtrans-62.2-37.717400000113.5A7 G8 C9 G15 T265A7-G11 PolarHBondContact O-N 3.41Å; G8-G11 PolarHBondContact O-N 2.98Å; C9-G11 VanDerWaalsContact C-N 3.35Å; C9-G11 PolarHBondContact O-N 3.46Å; G11-G15 PolarHBondContact O-N 2.96Å; G11-T265 PolarHBondContact O-OG1 2.92Å
12G70.5Confident74.1Confident19 Ų1936.8 Ų36.820%0.19623%0.229CC..Hα-helixtrans-65-44.1174.200000112.5G8 C9 A10 G15 V16G8-G12 PolarHBondContact O-N 3.25Å; C9-G12 PolarHBondContact O-N 2.94Å; A10-G12 VanDerWaalsContact C-N 3.33Å; A10-G12 PolarHBondContact O-N 2.98Å; G12-G15 PolarHBondContact O-N 3.22Å; G12-V16 VanDerWaalsContact O-CG2 3.29Å; G12-V16 WeakPolarHBondContact O-CG2 3.48Å; G12-V16 PolarHBondContact O-N 3.33Å
13V77.1Confident74.4Confident55 Ų5534.7 Ų34.733%0.33321%0.207SC..Hα-helixtrans-62.3-47.6175.7172.30000110.7C9 A10 G15 V16 L17 L66 L69C9-V13 WeakPolarHBondContact O-CG2 3.32Å; C9-V13 PolarHBondContact O-N 2.8Å; A10-V13 PolarHBondContact O-N 3.28Å; V13-G15 VanDerWaalsContact C-N 3.34Å; V13-G15 PolarHBondContact O-N 2.7Å; V13-V16 PolarHBondContact O-N 3.17Å; V13-L17 HydrophobicContact CG1-CD1 3.93Å; V13-L17 HydrophobicContact CG1-CG 4.43Å; V13-L17 VanDerWaalsContact O-CG 3.3Å; V13-L17 WeakPolarHBondContact O-CG 3.15Å; V13-L17 PolarHBondContact O-N 2.91Å; V13-L66 HydrophobicContact CG1-CD2 4.14Å; V13-L66 HydrophobicContact CG2-CD2 4.42Å; V13-L69 HydrophobicContact CG2-CD2 3.82Å
14A74.8Confident74.5Confident17 Ų1731.6 Ų31.614%0.1419%0.191CC..Hα-helixtrans-60.1-43.8177.400000112.1A10 L17 V18 T268A10-A14 WeakPolarHBondContact O-CB 3.13Å; A10-A14 PolarHBondContact O-N 2.9Å; A14-L17 PolarHBondContact O-N 2.71Å; A14-V18 WeakPolarHBondContact O-CG2 3.45Å; A14-V18 PolarHBondContact O-N 2.75Å; A14-T268 HydrophobicContact CB-CG2 4.08Å; A14-T268 WeakPolarHBondContact CB-OG1 3.36Å
15G71.6Confident74.8Confident4 Ų428.6 Ų28.64%0.04118%0.175CC..Hα-helixtrans-62.3-42.9176.500000112.8G11 G12 V13 G19 T265G11-G15 PolarHBondContact O-N 2.96Å; G12-G15 PolarHBondContact O-N 3.22Å; V13-G15 VanDerWaalsContact C-N 3.34Å; V13-G15 PolarHBondContact O-N 2.7Å; G15-G19 PolarHBondContact O-N 3.12Å; G15-T265 VanDerWaalsContact CA-OG1 3.31Å; G15-T265 WeakPolarHBondContact CA-OG1 3.34Å
16V75.9Confident75.1Confident29 Ų2926.2 Ų26.218%0.17617%0.165CC..Hα-helixtrans-62.6-45.3175.2169.70000110.7G12 V13 V18 G19 H20 L62 P65 L66G12-V16 VanDerWaalsContact O-CG2 3.29Å; G12-V16 WeakPolarHBondContact O-CG2 3.48Å; G12-V16 PolarHBondContact O-N 3.33Å; V13-V16 PolarHBondContact O-N 3.17Å; V16-V18 PolarHBondContact O-N 3Å; V16-G19 PolarHBondContact O-N 3.16Å; V16-H20 WeakPolarHBondContact O-CB 3.39Å; V16-H20 PolarHBondContact O-N 3.43Å; V16-L62 HydrophobicContact CG1-CD1 3.84Å; V16-P65 HydrophobicContact CG1-CB 3.9Å; V16-L66 HydrophobicContact CB-CD2 4.4Å; V16-L66 HydrophobicContact CG1-CD2 4Å; V16-L66 HydrophobicContact CG1-CG 4.46Å
17L77.8Confident74.9Confident68 Ų6822.2 Ų22.236%0.35614%0.144SC..Hα-helixtrans-59.9-47.3179.3-72.8169.3000112.1V13 A14 P21 Y59 L62V13-L17 HydrophobicContact CG1-CD1 3.93Å; V13-L17 HydrophobicContact CG1-CG 4.43Å; V13-L17 VanDerWaalsContact O-CG 3.3Å; V13-L17 WeakPolarHBondContact O-CG 3.15Å; V13-L17 PolarHBondContact O-N 2.91Å; A14-L17 PolarHBondContact O-N 2.71Å; L17-P21 WeakPolarHBondContact O-CD 3.13Å; L17-Y59 WeakPolarHBondContact O-CE1 3.46Å; L17-L62 HydrophobicContact CD2-CD1 4.42Å; L17-L62 HydrophobicContact CD2-CD2 3.73Å
18V79.8Confident74.9Confident53 Ų5323.8 Ų23.832%0.32115%0.15SC..Hα-helixtrans-72.7-31.7-179.8174.20000112.1A14 V16 P260 A264A14-V18 WeakPolarHBondContact O-CG2 3.45Å; A14-V18 PolarHBondContact O-N 2.75Å; V16-V18 PolarHBondContact O-N 3Å; V18-P260 HydrophobicContact CG1-CB 3.56Å; V18-A264 HydrophobicContact CB-CB 3.99Å; V18-A264 HydrophobicContact CG1-CB 4.28Å; V18-A264 HydrophobicContact CG2-CB 3.63Å
19G73.8Confident75Confident0 Ų022.3 Ų22.30%013%0.133CC..Hα-helixtrans-82.4-29.1-176.800000114.9G15 V16 P21 F22 D23 R257G15-G19 PolarHBondContact O-N 3.12Å; V16-G19 PolarHBondContact O-N 3.16Å; G19-P21 VanDerWaalsContact C-CD 3.49Å; G19-F22 WeakPolarHBondContact O-CB 3.22Å; G19-F22 PolarHBondContact O-N 3.24Å; G19-D23 PolarHBondContact O-N 2.96Å; G19-D23 VanDerWaalsContact O-N 3.16Å; G19-R257 PolarHBondContact O-NH1 2.95Å
20H79Confident74.4Confident0 Ų022 Ų220%013%0.13CC..Hα-helixtrans-60.6-36.4-171.2-167.586.5000114.2V16 F22 D23 T24 L58 K60 L62 K117V16-H20 WeakPolarHBondContact O-CB 3.39Å; V16-H20 PolarHBondContact O-N 3.43Å; H20-F22 VanDerWaalsContact C-N 3.26Å; H20-F22 PolarHBondContact O-N 3.44Å; H20-D23 PolarHBondContact O-N 3.41Å; H20-D23 VanDerWaalsContact O-N 3.17Å; H20-T24 PolarHBondContact O-N 3.28Å; H20-T24 PolarHBondContact O-OG1 3.03Å; H20-L58 PolarHBondContact CD2-O 2.9Å; H20-K60 PolarHBondContact NE2-O 3.33Å; H20-L62 HydrophobicContact CB-CD1 3.81Å; H20-K117 PolarHBondContact ND1-NZ 2.85Å
21P78.1Confident73.9Confident13 Ų1321.9 Ų21.98%0.08413%0.126CC..Hα-helixtrans-55.5-38.7171.4-2836.3000113.7L17 G19 V25 F46 L58 Y59L17-P21 WeakPolarHBondContact O-CD 3.13Å; G19-P21 VanDerWaalsContact C-CD 3.49Å; P21-V25 WeakPolarHBondContact O-CG2 3.49Å; P21-V25 PolarHBondContact O-N 3.18Å; P21-F46 HydrophobicContact CB-CE2 4.44Å; P21-L58 HydrophobicContact CB-CB 4.21Å; P21-L58 HydrophobicContact CB-CD1 4.37Å; P21-L58 HydrophobicContact CB-CD2 4.29Å; P21-L58 HydrophobicContact CG-CB 4.41Å; P21-Y59 HydrophobicContact CG-CE1 4.25Å; P21-Y59 HydrophobicContact CG-CE2 4.47Å
22F80.3Confident73.7Confident40 Ų4022.6 Ų22.618%0.17513%0.129CC..Hα-helixtrans-74.9-33.8178.6-61.1-82.5000112.6G19 H20 T24 V25 K26 S253 L256 R257 P260G19-F22 WeakPolarHBondContact O-CB 3.22Å; G19-F22 PolarHBondContact O-N 3.24Å; H20-F22 VanDerWaalsContact C-N 3.26Å; H20-F22 PolarHBondContact O-N 3.44Å; F22-T24 VanDerWaalsContact C-N 3.35Å; F22-V25 PolarHBondContact O-N 2.78Å; F22-K26 WeakPolarHBondContact O-CB 3.35Å; F22-K26 PolarHBondContact O-N 2.85Å; F22-S253 PolarHBondContact O-OG 3.21Å; F22-L256 HydrophobicContact CE1-CB 4.5Å; F22-L256 HydrophobicContact CE1-CD2 3.84Å; F22-L256 HydrophobicContact CE1-CG 3.89Å; F22-R257 HydrophobicContact CB-CB 3.58Å; F22-R257 HydrophobicContact CB-CG 3.81Å; F22-R257 HydrophobicContact CD1-CB 4.41Å; F22-R257 HydrophobicContact CD2-CB 4.15Å; F22-R257 HydrophobicContact CD2-CG 4.2Å; F22-R257 HydrophobicContact CG-CB 3.81Å; F22-R257 HydrophobicContact CG-CG 4.21Å; F22-P260 HydrophobicContact CE2-CB 4.25Å; F22-P260 HydrophobicContact CE2-CG 4.06Å; F22-P260 HydrophobicContact CZ-CG 4.06Å
23D74.5Confident73.1Confident31 Ų3124.4 Ų24.417%0.16614%0.139CC..Hα-helixtrans-62.2-45.4172.5-78.4-12.9000110.9G19 H20 V25 K26 V27 K117 R257G19-D23 PolarHBondContact O-N 2.96Å; G19-D23 VanDerWaalsContact O-N 3.16Å; H20-D23 PolarHBondContact O-N 3.41Å; H20-D23 VanDerWaalsContact O-N 3.17Å; D23-V25 VanDerWaalsContact C-N 3.31Å; D23-V25 PolarHBondContact O-N 3.43Å; D23-K26 PolarHBondContact O-N 3.35Å; D23-V27 WeakPolarHBondContact O-CB 3.3Å; D23-V27 WeakPolarHBondContact O-CG2 3.44Å; D23-V27 PolarHBondContact O-N 3.32Å; D23-K117 IonicContact OD2-NZ 2.76Å; D23-R257 IonicContact OD1-CZ 2.85Å; D23-R257 IonicContact OD1-NE 2.66Å; D23-R257 IonicContact OD1-NH1 3.5Å; D23-R257 PolarHBondContact OD1-NH1 3.02Å; D23-R257 IonicContact OD1-NH2 3.1Å; D23-R257 IonicContact OD2-CZ 2.88Å; D23-R257 IonicContact OD2-NH1 3.69Å; D23-R257 PolarHBondContact OD2-NH1 2.87Å; D23-R257 IonicContact OD2-NH2 3.69Å
24T74.9Confident72.1Confident6 Ų625 Ų254%0.03714%0.143CC..Hα-helixtrans-59.1-43.7178.6-60.40000111H20 F22 R28 I49 L58H20-T24 PolarHBondContact O-N 3.28Å; H20-T24 PolarHBondContact O-OG1 3.03Å; F22-T24 VanDerWaalsContact C-N 3.35Å; T24-R28 WeakPolarHBondContact O-CG 3.28Å; T24-R28 PolarHBondContact O-N 3.03Å; T24-R28 VanDerWaalsContact O-N 3.15Å; T24-I49 HydrophobicContact CG2-CD1 4.36Å; T24-L58 PolarHBondContact OG1-O 3.35Å
25V78.1Confident71.1Confident1 Ų133.2 Ų33.21%0.00618%0.178CC..Hα-helixtrans-66-44.21761740000111.9P21 F22 D23 R28 L29 T42 C45 F46 I49P21-V25 WeakPolarHBondContact O-CG2 3.49Å; P21-V25 PolarHBondContact O-N 3.18Å; F22-V25 PolarHBondContact O-N 2.78Å; D23-V25 VanDerWaalsContact C-N 3.31Å; D23-V25 PolarHBondContact O-N 3.43Å; V25-R28 PolarHBondContact O-N 2.98Å; V25-L29 HydrophobicContact CG1-CD1 3.91Å; V25-L29 HydrophobicContact CG1-CG 4.31Å; V25-L29 WeakPolarHBondContact O-CB 3.33Å; V25-L29 WeakPolarHBondContact O-CG 3.25Å; V25-L29 PolarHBondContact O-N 3.39Å; V25-T42 HydrophobicContact CG1-CG2 3.68Å; V25-C45 HydrophobicContact CG1-CB 3.99Å; V25-F46 HydrophobicContact CG2-CB 4.06Å; V25-F46 HydrophobicContact CG2-CD2 3.96Å; V25-I49 HydrophobicContact CG2-CD1 3.98Å
26K75.4Confident70.5Confident22 Ų2241.1 Ų41.110%0.09621%0.211CC..Hα-helixtrans-57.3-52178.2178.5-172.4174.9179.50111F22 D23 L29 Q30 D211 T254F22-K26 WeakPolarHBondContact O-CB 3.35Å; F22-K26 PolarHBondContact O-N 2.85Å; D23-K26 PolarHBondContact O-N 3.35Å; K26-L29 PolarHBondContact O-N 3.35Å; K26-Q30 HydrophobicContact CG-CG 4.46Å; K26-Q30 WeakPolarHBondContact O-CB 3.49Å; K26-Q30 VanDerWaalsContact O-CG 3.31Å; K26-Q30 WeakPolarHBondContact O-CG 3.03Å; K26-Q30 PolarHBondContact O-N 2.98Å; K26-D211 WeakPolarHBondContact CE-OD2 3.33Å; K26-D211 IonicContact NZ-OD2 3.89Å; K26-D211 PolarHBondContact NZ-OD2 3.06Å; K26-T254 WeakPolarHBondContact CD-OG1 3.49Å; K26-T254 WeakPolarHBondContact CE-OG1 3.43Å
27V70Confident70Confident17 Ų1743.5 Ų43.510%0.10323%0.227CC..Hα-helixtrans-63.8-44.3-176.5170.90000111.1D23 L29 Q30 V31 Q121 L122D23-V27 WeakPolarHBondContact O-CB 3.3Å; D23-V27 WeakPolarHBondContact O-CG2 3.44Å; D23-V27 PolarHBondContact O-N 3.32Å; V27-L29 PolarHBondContact O-N 3.48Å; V27-Q30 PolarHBondContact O-N 3.41Å; V27-V31 WeakPolarHBondContact O-CG2 3.46Å; V27-V31 PolarHBondContact O-N 3.32Å; V27-V31 VanDerWaalsContact O-N 3.09Å; V27-Q121 HydrophobicContact CG1-CB 4.14Å; V27-L122 HydrophobicContact CG1-CD2 3.42Å; V27-L122 VanDerWaalsContact CG1-CD2 3.42Å; V27-L122 HydrophobicContact CG1-CG 3.91Å
28R73.5Confident69.6Low35 Ų3546.6 Ų46.613%0.13224%0.24CC..Hα-helixtrans-64.1-39176.4-72-171-174.5-150.86.4112.9T24 V25 Q30 V31 Q32 Y39 E53T24-R28 WeakPolarHBondContact O-CG 3.28Å; T24-R28 PolarHBondContact O-N 3.03Å; T24-R28 VanDerWaalsContact O-N 3.15Å; V25-R28 PolarHBondContact O-N 2.98Å; R28-Q30 VanDerWaalsContact C-N 3.35Å; R28-V31 PolarHBondContact O-N 3.5Å; R28-Q32 PolarHBondContact O-N 3.25Å; R28-Y39 HydrophobicContact CB-CE2 4.2Å; R28-Y39 PolarHBondContact NH1-OH 3.32Å; R28-E53 IonicContact CZ-OE1 3.53Å; R28-E53 VanDerWaalsContact CZ-OE1 3.27Å; R28-E53 IonicContact CZ-OE2 2.72Å; R28-E53 IonicContact NH1-OE1 2.67Å; R28-E53 PolarHBondContact NH1-OE1 3.17Å; R28-E53 IonicContact NH1-OE2 3.24Å; R28-E53 IonicContact NH2-OE1 3.75Å; R28-E53 PolarHBondContact NH2-OE1 3.27Å; R28-E53 IonicContact NH2-OE2 2.98Å; R28-E53 PolarHBondContact NH2-OE2 3.33Å
29L72.8Confident69.4Low6 Ų645 Ų453%0.03123%0.228CC..Hα-helixtrans-68.4-32.5175.2-78.8178.3000113.5V25 K26 V27 Q32 C45 R249V25-L29 HydrophobicContact CG1-CD1 3.91Å; V25-L29 HydrophobicContact CG1-CG 4.31Å; V25-L29 WeakPolarHBondContact O-CB 3.33Å; V25-L29 WeakPolarHBondContact O-CG 3.25Å; V25-L29 PolarHBondContact O-N 3.39Å; K26-L29 PolarHBondContact O-N 3.35Å; V27-L29 PolarHBondContact O-N 3.48Å; L29-Q32 VanDerWaalsContact CD2-NE2 3.28Å; L29-Q32 WeakPolarHBondContact O-CG 3.39Å; L29-C45 HydrophobicContact CD2-CB 4.07Å; L29-C45 HydrophobicContact CG-CB 4.18Å; L29-R249 PolarHBondContact O-NE 3.45Å
30Q61.3Low69.2Low13 Ų1356 Ų566%0.06127%0.27CS..Hα-helixtrans-75.4-24.7178.6-76.6-177.5-15.100112.5K26 V27 R28 Y208 S215K26-Q30 HydrophobicContact CG-CG 4.46Å; K26-Q30 WeakPolarHBondContact O-CB 3.49Å; K26-Q30 VanDerWaalsContact O-CG 3.31Å; K26-Q30 WeakPolarHBondContact O-CG 3.03Å; K26-Q30 PolarHBondContact O-N 2.98Å; V27-Q30 PolarHBondContact O-N 3.41Å; R28-Q30 VanDerWaalsContact C-N 3.35Å; Q30-Y208 PolarHBondContact NE2-OH 3.37Å; Q30-S215 VanDerWaalsContact OE1-CB 3.27Å; Q30-S215 PolarHBondContact OE1-OG 2.94Å
31V64.5Low69.1Low30 Ų3057.3 Ų57.318%0.18228%0.283CS..Hα-helixtrans-111.7-9.3-173.1-178.30000114.9V27 R28 S33 L122 A219 R223V27-V31 WeakPolarHBondContact O-CG2 3.46Å; V27-V31 PolarHBondContact O-N 3.32Å; V27-V31 VanDerWaalsContact O-N 3.09Å; R28-V31 PolarHBondContact O-N 3.5Å; V31-S33 PolarHBondContact O-N 3.41Å; V31-L122 HydrophobicContact CB-CD1 4.36Å; V31-L122 HydrophobicContact CB-CD2 3.31Å; V31-L122 HydrophobicContact CB-CG 4.39Å; V31-L122 HydrophobicContact CG1-CD1 4.06Å; V31-L122 HydrophobicContact CG1-CD2 3.48Å; V31-L122 VanDerWaalsContact CG1-CD2 3.48Å; V31-L122 HydrophobicContact CG1-CG 4.21Å; V31-L122 HydrophobicContact CG2-CD1 3.73Å; V31-L122 HydrophobicContact CG2-CD2 3.35Å; V31-L122 HydrophobicContact CG2-CG 4.12Å; V31-A219 HydrophobicContact CG2-CB 4.2Å; V31-R223 PolarHBondContact O-NH1 3.16Å
32Q63.7Low69Low15 Ų1558.2 Ų58.27%0.0729%0.288CS..SBendtrans-57.1143.4169.661.4170.6-31.900111.4R28 L29 Y39R28-Q32 PolarHBondContact O-N 3.25Å; L29-Q32 VanDerWaalsContact CD2-NE2 3.28Å; L29-Q32 WeakPolarHBondContact O-CG 3.39Å; Q32-Y39 PolarHBondContact NE2-O 3.17Å; Q32-Y39 VanDerWaalsContact NE2-O 3.08Å; Q32-Y39 PolarHBondContact OE1-O 3.08Å
33S57.7Low69.1Low57 Ų5762.7 Ų62.740%0.39931%0.313SS..  trans-66.2147.3178.151.60000111.3V31 K36V31-S33 PolarHBondContact O-N 3.41Å; S33-K36 CarbonylContact O-C 3.59Å; S33-K36 PolarHBondContact OG-O 2.66Å
34V57.7Low69.3Low69 Ų6965.2 Ų65.242%0.41832%0.324SS..SBendtrans-77.7-39.1-178-174.30000110.9K36 E242V34-K36 VanDerWaalsContact C-N 3.31Å; V34-K36 PolarHBondContact O-N 3.33Å; V34-E242 HydrophobicContact CB-CG 4.16Å; V34-E242 HydrophobicContact CG1-CG 3.73Å; V34-E242 HydrophobicContact CG2-CG 3.4Å; V34-E242 VanDerWaalsContact CG2-OE1 3.28Å; V34-E242 WeakPolarHBondContact CG2-OE1 3.29Å; V34-E242 VanDerWaalsContact CG2-OE2 3.25Å; V34-E242 WeakPolarHBondContact CG2-OE2 3.39Å
35E52.4Low69.5Low189 Ų18965 Ų6588%0.88332%0.322SS*.SBendtrans-70-28.1-176-65.3172.7-17700112.4
36K59.7Low69.7Low170 Ų17068.5 Ų68.574%0.73934%0.338SS*.SBendtrans-138.678.6176.2-69.2-174.4-177.9177.30110.4S33 V34 Q38S33-K36 CarbonylContact O-C 3.59Å; S33-K36 PolarHBondContact OG-O 2.66Å; V34-K36 VanDerWaalsContact C-N 3.31Å; V34-K36 PolarHBondContact O-N 3.33Å; K36-Q38 PolarHBondContact O-N 3.04Å
37P64.8Low70Confident78 Ų7874.9 Ų74.951%0.50637%0.365SS..  trans-65.9110.9-178.426.2-32000110.1Y39P37-Y39 VanDerWaalsContact C-N 3.26Å; P37-Y39 PolarHBondContact O-N 3.26Å
38Q69.7Low70.4Confident134 Ų13474.9 Ų74.963%0.62637%0.366SS*.SBendtrans-68.6-26.8174.2-80179.4-2000112.1K36K36-Q38 PolarHBondContact O-N 3.04Å
39Y74.8Confident70.7Confident18 Ų1873.2 Ų73.27%0.07136%0.36CS..  trans-127.2121.4-176.9-52.3-66.7000111.7R28 Q32 P37 G41 C45R28-Y39 HydrophobicContact CB-CE2 4.2Å; R28-Y39 PolarHBondContact NH1-OH 3.32Å; Q32-Y39 PolarHBondContact NE2-O 3.17Å; Q32-Y39 VanDerWaalsContact NE2-O 3.08Å; Q32-Y39 PolarHBondContact OE1-O 3.08Å; P37-Y39 VanDerWaalsContact C-N 3.26Å; P37-Y39 PolarHBondContact O-N 3.26Å; Y39-G41 VanDerWaalsContact C-N 3.26Å; Y39-G41 PolarHBondContact O-N 3.32Å; Y39-C45 HydrophobicContact CD1-CB 3.94Å; Y39-C45 HydrophobicContact CD2-CB 4.4Å; Y39-C45 HydrophobicContact CG-CB 3.82Å
40R71.5Confident71.2Confident233 Ų23376 Ų7688%0.87937%0.374SS*.SBendtrans-68.9-16.8177.9-75.8-176.3165.6-138.3-1.4114.6H44R40-H44 HydrophobicContact CB-CB 4.3Å
41G76.2Confident72.2Confident26 Ų2684.4 Ų84.427%0.26841%0.41SS..SBendtrans169-176.5-179.500000112.9Y39 L43 H44 C45Y39-G41 VanDerWaalsContact C-N 3.26Å; Y39-G41 PolarHBondContact O-N 3.32Å; G41-L43 PolarHBondContact O-N 3.05Å; G41-H44 PolarHBondContact O-N 3.13Å; G41-C45 WeakPolarHBondContact O-CB 3.26Å; G41-C45 PolarHBondContact O-N 3.47Å
42T76.3Confident72.8Confident33 Ų3389.6 Ų89.620%0.20243%0.433CS..Hα-helixtrans-56.7-50-176.3-510000112.9V25 H44 C45 F46V25-T42 HydrophobicContact CG1-CG2 3.68Å; T42-H44 PolarHBondContact O-N 3.32Å; T42-C45 PolarHBondContact O-N 2.81Å; T42-F46 WeakPolarHBondContact O-CB 3.42Å; T42-F46 PolarHBondContact O-N 2.95Å
43L81.2Confident73.2Confident134 Ų13491.4 Ų91.470%0.70244%0.441SS*.Hα-helixtrans-67.5-36.8-179.2-64.3174.5000112.5G41 K47G41-L43 PolarHBondContact O-N 3.05Å; L43-K47 WeakPolarHBondContact O-CB 3.43Å; L43-K47 WeakPolarHBondContact O-CG 3.22Å; L43-K47 PolarHBondContact O-N 3.29Å
44H80.3Confident74.1Confident84 Ų8492 Ų9239%0.38945%0.445SS..Hα-helixtrans-68.3-44.9176.8-172-91.6000110.7R40 G41 T42 F46 K47 S48R40-H44 HydrophobicContact CB-CB 4.3Å; G41-H44 PolarHBondContact O-N 3.13Å; T42-H44 PolarHBondContact O-N 3.32Å; H44-F46 PolarHBondContact O-N 3.12Å; H44-K47 PolarHBondContact O-N 3Å; H44-S48 VanDerWaalsContact O-CB 3.28Å; H44-S48 WeakPolarHBondContact O-CB 3.45Å; H44-S48 PolarHBondContact O-N 3.47Å; H44-S48 PolarHBondContact O-OG 3.03Å
45C78Confident75Confident0 Ų092.5 Ų92.50%045%0.448CS..Hα-helixtrans-58.8-48.5175.9-170.60000111.3V25 L29 Y39 G41 T42 K47 S48 I49V25-C45 HydrophobicContact CG1-CB 3.99Å; L29-C45 HydrophobicContact CD2-CB 4.07Å; L29-C45 HydrophobicContact CG-CB 4.18Å; Y39-C45 HydrophobicContact CD1-CB 3.94Å; Y39-C45 HydrophobicContact CD2-CB 4.4Å; Y39-C45 HydrophobicContact CG-CB 3.82Å; G41-C45 WeakPolarHBondContact O-CB 3.26Å; G41-C45 PolarHBondContact O-N 3.47Å; T42-C45 PolarHBondContact O-N 2.81Å; C45-K47 PolarHBondContact O-N 3.26Å; C45-S48 PolarHBondContact O-N 3.4Å; C45-I49 WeakPolarHBondContact O-CD1 3.25Å; C45-I49 VanDerWaalsContact O-CG1 3.23Å; C45-I49 WeakPolarHBondContact O-CG1 3.38Å; C45-I49 PolarHBondContact O-N 3.17Å
46F81.5Confident76Confident76 Ų7690.3 Ų90.333%0.33344%0.442SS..Hα-helixtrans-58.1-50.3177.6-174.4-98000112.5P21 V25 T42 H44 S48 I49 I50 L58P21-F46 HydrophobicContact CB-CE2 4.44Å; V25-F46 HydrophobicContact CG2-CB 4.06Å; V25-F46 HydrophobicContact CG2-CD2 3.96Å; T42-F46 WeakPolarHBondContact O-CB 3.42Å; T42-F46 PolarHBondContact O-N 2.95Å; H44-F46 PolarHBondContact O-N 3.12Å; F46-S48 PolarHBondContact O-N 3.48Å; F46-I49 PolarHBondContact O-N 3.49Å; F46-I50 HydrophobicContact CD1-CD1 3.81Å; F46-I50 HydrophobicContact CE1-CD1 3.29Å; F46-I50 HydrophobicContact CE1-CG1 4.49Å; F46-I50 HydrophobicContact CE2-CD1 4.37Å; F46-I50 HydrophobicContact CZ-CD1 3.62Å; F46-I50 PolarHBondContact O-N 3.44Å; F46-I50 VanDerWaalsContact O-N 3.15Å; F46-L58 HydrophobicContact CD2-CD1 4.47Å; F46-L58 HydrophobicContact CD2-CD2 3.98Å; F46-L58 HydrophobicContact CE2-CD1 3.74Å; F46-L58 HydrophobicContact CE2-CD2 3.99Å; F46-L58 HydrophobicContact CZ-CD1 4.12Å
47K82.8Confident76.4Confident155 Ų15582.4 Ų82.467%0.67441%0.409SS*.Hα-helixtrans-62.6-40.6177.3-75.5-176.7177.8-175.80112.4L43 H44 C45 I50 K51L43-K47 WeakPolarHBondContact O-CB 3.43Å; L43-K47 WeakPolarHBondContact O-CG 3.22Å; L43-K47 PolarHBondContact O-N 3.29Å; H44-K47 PolarHBondContact O-N 3Å; C45-K47 PolarHBondContact O-N 3.26Å; K47-I50 PolarHBondContact O-N 3.24Å; K47-K51 WeakPolarHBondContact O-CB 3.28Å; K47-K51 PolarHBondContact O-N 2.91Å
48S78.8Confident76.8Confident18 Ų1879 Ų7913%0.12639%0.387CS..Hα-helixtrans-63.9-41.5177.8-67.20000112H44 C45 F46 K51 Q52H44-S48 VanDerWaalsContact O-CB 3.28Å; H44-S48 WeakPolarHBondContact O-CB 3.45Å; H44-S48 PolarHBondContact O-N 3.47Å; H44-S48 PolarHBondContact O-OG 3.03Å; C45-S48 PolarHBondContact O-N 3.4Å; F46-S48 PolarHBondContact O-N 3.48Å; S48-K51 PolarHBondContact O-N 3.13Å; S48-Q52 VanDerWaalsContact O-CB 3.27Å; S48-Q52 WeakPolarHBondContact O-CB 3.29Å; S48-Q52 VanDerWaalsContact O-CG 3.3Å; S48-Q52 WeakPolarHBondContact O-CG 3.05Å; S48-Q52 PolarHBondContact O-N 3.47Å
49I78.7Confident77.1Confident0 Ų076.7 Ų76.70%037%0.373CS..Hα-helixtrans-62.2-48.5177.3-66161000110.3T24 V25 C45 F46 K51 Q52 E53 S54 L58T24-I49 HydrophobicContact CG2-CD1 4.36Å; V25-I49 HydrophobicContact CG2-CD1 3.98Å; C45-I49 WeakPolarHBondContact O-CD1 3.25Å; C45-I49 VanDerWaalsContact O-CG1 3.23Å; C45-I49 WeakPolarHBondContact O-CG1 3.38Å; C45-I49 PolarHBondContact O-N 3.17Å; F46-I49 PolarHBondContact O-N 3.49Å; I49-K51 VanDerWaalsContact C-N 3.27Å; I49-K51 PolarHBondContact O-N 3.14Å; I49-Q52 PolarHBondContact O-N 3.44Å; I49-E53 WeakPolarHBondContact O-CA 3.29Å; I49-E53 PolarHBondContact O-N 3.21Å; I49-S54 PolarHBondContact O-N 2.91Å; I49-L58 HydrophobicContact CB-CD2 4.29Å; I49-L58 HydrophobicContact CD1-CD2 4.23Å; I49-L58 HydrophobicContact CG2-CD2 3.8Å; I49-L58 HydrophobicContact CG2-CG 4.02Å
50I83.1Confident76.7Confident64 Ų6479.1 Ų79.133%0.32838%0.384SS..Hα-helixtrans-60.5-41.2178.9-66.8174.1000110.8F46 K47 S54 L58F46-I50 HydrophobicContact CD1-CD1 3.81Å; F46-I50 HydrophobicContact CE1-CD1 3.29Å; F46-I50 HydrophobicContact CE1-CG1 4.49Å; F46-I50 HydrophobicContact CE2-CD1 4.37Å; F46-I50 HydrophobicContact CZ-CD1 3.62Å; F46-I50 PolarHBondContact O-N 3.44Å; F46-I50 VanDerWaalsContact O-N 3.15Å; K47-I50 PolarHBondContact O-N 3.24Å; I50-S54 VanDerWaalsContact O-CA 3.26Å; I50-S54 WeakPolarHBondContact O-CA 3.49Å; I50-S54 PolarHBondContact O-N 3.25Å; I50-L58 HydrophobicContact CD1-CD1 4.2Å; I50-L58 HydrophobicContact CG1-CD1 3.92Å
51K82.2Confident76.4Confident189 Ų18969.4 Ų69.482%0.82236%0.356SS*.Hα-helixtrans-71.4-32.9-178.7-168.4176.5-179.4-178.70113.4K47 S48 I49K47-K51 WeakPolarHBondContact O-CB 3.28Å; K47-K51 PolarHBondContact O-N 2.91Å; S48-K51 PolarHBondContact O-N 3.13Å; I49-K51 VanDerWaalsContact C-N 3.27Å; I49-K51 PolarHBondContact O-N 3.14Å
52Q78.5Confident76.1Confident139 Ų13969.4 Ų69.465%0.6535%0.35SS*.Hα-helixtrans-99.6-34-173.2-67.9175.5-11.200113.7S48 I49S48-Q52 VanDerWaalsContact O-CB 3.27Å; S48-Q52 WeakPolarHBondContact O-CB 3.29Å; S48-Q52 VanDerWaalsContact O-CG 3.3Å; S48-Q52 WeakPolarHBondContact O-CG 3.05Å; S48-Q52 PolarHBondContact O-N 3.47Å; I49-Q52 PolarHBondContact O-N 3.44Å
53E71.3Confident75.6Confident54 Ų5470 Ų7025%0.25236%0.361SS..Hα-helixtrans-123.65.2-172.3-65.3-177.5-143.900113.1R28 I49 G57R28-E53 IonicContact CZ-OE1 3.53Å; R28-E53 VanDerWaalsContact CZ-OE1 3.27Å; R28-E53 IonicContact CZ-OE2 2.72Å; R28-E53 IonicContact NH1-OE1 2.67Å; R28-E53 PolarHBondContact NH1-OE1 3.17Å; R28-E53 IonicContact NH1-OE2 3.24Å; R28-E53 IonicContact NH2-OE1 3.75Å; R28-E53 PolarHBondContact NH2-OE1 3.27Å; R28-E53 IonicContact NH2-OE2 2.98Å; R28-E53 PolarHBondContact NH2-OE2 3.33Å; I49-E53 WeakPolarHBondContact O-CA 3.29Å; I49-E53 PolarHBondContact O-N 3.21Å; E53-G57 PolarHBondContact O-N 3.34Å
54S77.6Confident74.9Confident69 Ų6964.1 Ų64.148%0.48333%0.332SS..Hα-helixtrans62.3178.8-173.8-169.20000113.3I49 I50 L56 G57I49-S54 PolarHBondContact O-N 2.91Å; I50-S54 VanDerWaalsContact O-CA 3.26Å; I50-S54 WeakPolarHBondContact O-CA 3.49Å; I50-S54 PolarHBondContact O-N 3.25Å; S54-L56 PolarHBondContact O-N 3.01Å; S54-G57 PolarHBondContact O-N 3.04Å; S54-G57 VanDerWaalsContact O-N 3.07Å
55V76.3Confident74Confident80 Ų8061.5 Ų61.549%0.48532%0.322SS..Hα-helixtrans-60.9-30.9177.7-179.90000111.1G57 L58 Y59V55-G57 PolarHBondContact O-N 3.39Å; V55-L58 WeakPolarHBondContact O-CB 2.95Å; V55-L58 PolarHBondContact O-N 3.44Å; V55-L58 VanDerWaalsContact O-N 3.14Å; V55-Y59 HydrophobicContact CG1-CE2 4.24Å; V55-Y59 WeakPolarHBondContact O-CD2 3.39Å
56L72.9Confident73.6Confident142 Ų14264.1 Ų64.174%0.74334%0.336SS*.Hα-helixtrans-64.5-27.1175.9-65.7174.2000113S54 L58 Y59 K60S54-L56 PolarHBondContact O-N 3.01Å; L56-L58 PolarHBondContact O-N 2.91Å; L56-Y59 PolarHBondContact O-N 2.67Å; L56-Y59 VanDerWaalsContact O-N 3.13Å; L56-K60 PolarHBondContact O-N 2.81Å
57G68.3Low72.8Confident5 Ų567.4 Ų67.45%0.05235%0.354CS..Hα-helixtrans-61.1-30.7173.500000113.4E53 S54 V55 Y59 K60E53-G57 PolarHBondContact O-N 3.34Å; S54-G57 PolarHBondContact O-N 3.04Å; S54-G57 VanDerWaalsContact O-N 3.07Å; V55-G57 PolarHBondContact O-N 3.39Å; G57-Y59 VanDerWaalsContact C-N 3.29Å; G57-Y59 PolarHBondContact O-N 2.7Å; G57-K60 WeakPolarHBondContact O-CB 3.23Å; G57-K60 PolarHBondContact O-N 3.05Å
58L73.3Confident72Confident7 Ų760.1 Ų60.14%0.03732%0.323CS..Hα-helixtrans-68.8-28.9176.4-67.3167.4000112.4H20 P21 T24 F46 I49 I50 V55 L56H20-L58 PolarHBondContact CD2-O 2.9Å; P21-L58 HydrophobicContact CB-CB 4.21Å; P21-L58 HydrophobicContact CB-CD1 4.37Å; P21-L58 HydrophobicContact CB-CD2 4.29Å; P21-L58 HydrophobicContact CG-CB 4.41Å; T24-L58 PolarHBondContact OG1-O 3.35Å; F46-L58 HydrophobicContact CD2-CD1 4.47Å; F46-L58 HydrophobicContact CD2-CD2 3.98Å; F46-L58 HydrophobicContact CE2-CD1 3.74Å; F46-L58 HydrophobicContact CE2-CD2 3.99Å; F46-L58 HydrophobicContact CZ-CD1 4.12Å; I49-L58 HydrophobicContact CB-CD2 4.29Å; I49-L58 HydrophobicContact CD1-CD2 4.23Å; I49-L58 HydrophobicContact CG2-CD2 3.8Å; I49-L58 HydrophobicContact CG2-CG 4.02Å; I50-L58 HydrophobicContact CD1-CD1 4.2Å; I50-L58 HydrophobicContact CG1-CD1 3.92Å; V55-L58 WeakPolarHBondContact O-CB 2.95Å; V55-L58 PolarHBondContact O-N 3.44Å; V55-L58 VanDerWaalsContact O-N 3.14Å; L56-L58 PolarHBondContact O-N 2.91Å
59Y74.8Confident71.4Confident85 Ų8560.9 Ų60.933%0.33333%0.326SS..THydrogen-bonded Turntrans-966.3-178-66.6-81.8000114L17 P21 V55 L56 G57 G61 L62L17-Y59 WeakPolarHBondContact O-CE1 3.46Å; P21-Y59 HydrophobicContact CG-CE1 4.25Å; P21-Y59 HydrophobicContact CG-CE2 4.47Å; V55-Y59 HydrophobicContact CG1-CE2 4.24Å; V55-Y59 WeakPolarHBondContact O-CD2 3.39Å; L56-Y59 PolarHBondContact O-N 2.67Å; L56-Y59 VanDerWaalsContact O-N 3.13Å; G57-Y59 VanDerWaalsContact C-N 3.29Å; G57-Y59 PolarHBondContact O-N 2.7Å; Y59-G61 PolarHBondContact O-N 3.09Å; Y59-L62 HydrophobicContact CD1-CD1 4.5Å; Y59-L62 HydrophobicContact CD1-CD2 4.02Å; Y59-L62 WeakPolarHBondContact O-CB 3.48Å; Y59-L62 PolarHBondContact O-N 3.33Å; Y59-L62 VanDerWaalsContact O-N 3.13Å
60K67Low70.8Confident69 Ų6964.8 Ų64.830%0.335%0.35SS..THydrogen-bonded Turntrans-61.3129177.6-159175.1-179.5-176.20110.4H20 L56 G57H20-K60 PolarHBondContact NE2-O 3.33Å; L56-K60 PolarHBondContact O-N 2.81Å; G57-K60 WeakPolarHBondContact O-CB 3.23Å; G57-K60 PolarHBondContact O-N 3.05Å
61G66.2Low70.2Confident28 Ų2867.6 Ų67.629%0.28936%0.36SS..THydrogen-bonded Turntrans80.89.4-17800000115.6Y59 G63 P65Y59-G61 PolarHBondContact O-N 3.09Å; G61-G63 PolarHBondContact O-N 3.32Å; G61-P65 WeakPolarHBondContact O-CD 3.33Å
62L69.6Low69.8Low27 Ų2759.7 Ų59.714%0.14133%0.326CS..THydrogen-bonded Turntrans-61.9-27.6177.2-177.174.7000113.5V16 L17 H20 Y59 S64 P65 L66V16-L62 HydrophobicContact CG1-CD1 3.84Å; L17-L62 HydrophobicContact CD2-CD1 4.42Å; L17-L62 HydrophobicContact CD2-CD2 3.73Å; H20-L62 HydrophobicContact CB-CD1 3.81Å; Y59-L62 HydrophobicContact CD1-CD1 4.5Å; Y59-L62 HydrophobicContact CD1-CD2 4.02Å; Y59-L62 WeakPolarHBondContact O-CB 3.48Å; Y59-L62 PolarHBondContact O-N 3.33Å; Y59-L62 VanDerWaalsContact O-N 3.13Å; L62-S64 VanDerWaalsContact C-N 3.27Å; L62-S64 PolarHBondContact O-N 3.47Å; L62-P65 VanDerWaalsContact O-CD 3.23Å; L62-P65 WeakPolarHBondContact O-CD 3.37Å; L62-L66 HydrophobicContact CD1-CD1 4.35Å; L62-L66 HydrophobicContact CD1-CG 4.39Å; L62-L66 HydrophobicContact CD2-CD1 3.77Å; L62-L66 HydrophobicContact CG-CD1 3.67Å; L62-L66 HydrophobicContact CG-CG 4.09Å; L62-L66 PolarHBondContact O-N 2.94Å
63G65.6Low69.4Low44 Ų4455 Ų5545%0.45431%0.306SS..Hα-helixtrans-61.7-31.3-178.400000114.2G61 M67G61-G63 PolarHBondContact O-N 3.32Å; G63-M67 WeakPolarHBondContact O-CB 3.4Å; G63-M67 WeakPolarHBondContact O-CG 3.4Å; G63-M67 PolarHBondContact O-N 3.02Å
64S65.4Low69.4Low12 Ų1254.9 Ų54.98%0.08431%0.314CS..Hα-helixtrans-69.8-48.1179.9172.10000113L62 G68 S134L62-S64 VanDerWaalsContact C-N 3.27Å; L62-S64 PolarHBondContact O-N 3.47Å; S64-G68 PolarHBondContact O-N 3.15Å; S64-S134 WeakPolarHBondContact CB-OG 3.42Å
65P63.3Low69.4Low28 Ų2853.5 Ų53.518%0.18230%0.301CS..Hα-helixtrans-57.3-43.6169.5-27.931.9000114.5V16 G61 L62 G68 L69 K117V16-P65 HydrophobicContact CG1-CB 3.9Å; G61-P65 WeakPolarHBondContact O-CD 3.33Å; L62-P65 VanDerWaalsContact O-CD 3.23Å; L62-P65 WeakPolarHBondContact O-CD 3.37Å; P65-G68 PolarHBondContact O-N 3.25Å; P65-L69 PolarHBondContact O-N 2.88Å; P65-L69 VanDerWaalsContact O-N 3.14Å; P65-K117 HydrophobicContact CG-CD 3.65Å
66L68.4Low69.3Low56 Ų5650.9 Ų50.929%0.29329%0.285SS..Hα-helixtrans-72.1-41-174.7-70.7179.7000112.6V13 V16 L62 G68 L69V13-L66 HydrophobicContact CG1-CD2 4.14Å; V13-L66 HydrophobicContact CG2-CD2 4.42Å; V16-L66 HydrophobicContact CB-CD2 4.4Å; V16-L66 HydrophobicContact CG1-CD2 4Å; V16-L66 HydrophobicContact CG1-CG 4.46Å; L62-L66 HydrophobicContact CD1-CD1 4.35Å; L62-L66 HydrophobicContact CD1-CG 4.39Å; L62-L66 HydrophobicContact CD2-CD1 3.77Å; L62-L66 HydrophobicContact CG-CD1 3.67Å; L62-L66 HydrophobicContact CG-CG 4.09Å; L62-L66 PolarHBondContact O-N 2.94Å; L66-G68 VanDerWaalsContact C-N 3.27Å; L66-G68 PolarHBondContact O-N 3.44Å; L66-L69 PolarHBondContact O-N 2.89Å
67M64.6Low69.4Low144 Ų14449.6 Ų49.671%0.70927%0.274SS*.Hα-helixtrans-64.1-34.7174.4-77.6-163.1-56.500112.2G63G63-M67 WeakPolarHBondContact O-CB 3.4Å; G63-M67 WeakPolarHBondContact O-CG 3.4Å; G63-M67 PolarHBondContact O-N 3.02Å
68G65.6Low69.9Low3 Ų351.3 Ų51.33%0.03129%0.292CS..Hα-helixtrans-74-31.4-179.200000113.6S64 P65 L66 T70 F71 I72S64-G68 PolarHBondContact O-N 3.15Å; P65-G68 PolarHBondContact O-N 3.25Å; L66-G68 VanDerWaalsContact C-N 3.27Å; L66-G68 PolarHBondContact O-N 3.44Å; G68-T70 PolarHBondContact O-N 3.14Å; G68-F71 PolarHBondContact O-N 3.26Å; G68-I72 WeakPolarHBondContact O-CB 3.48Å; G68-I72 WeakPolarHBondContact O-CD1 3.44Å; G68-I72 WeakPolarHBondContact O-CG1 3.21Å; G68-I72 PolarHBondContact O-N 2.85Å
69L67.4Low70.1Confident33 Ų3352.3 Ų52.317%0.17330%0.298CS..Hα-helixtrans-61-51.2-164.9-169.370.5000113.4V13 P65 L66 N73V13-L69 HydrophobicContact CG2-CD2 3.82Å; P65-L69 PolarHBondContact O-N 2.88Å; P65-L69 VanDerWaalsContact O-N 3.14Å; L66-L69 PolarHBondContact O-N 2.89Å; L69-N73 VanDerWaalsContact O-CB 3.32Å; L69-N73 WeakPolarHBondContact O-CB 3.18Å; L69-N73 PolarHBondContact O-N 2.95Å; L69-N73 PolarHBondContact O-ND2 3.06Å
70T65.1Low70.2Confident82 Ų8251 Ų5150%0.50330%0.295SS..Hα-helixtrans-67.6-40.7-179.4-50.90000111.4G68 A74G68-T70 PolarHBondContact O-N 3.14Å; T70-A74 VanDerWaalsContact O-CB 3.23Å; T70-A74 WeakPolarHBondContact O-CB 3.5Å; T70-A74 PolarHBondContact O-N 2.96Å
71F71.8Confident70.6Confident123 Ų12348.8 Ų48.854%0.53929%0.292SS..Hα-helixtrans-68.4-43.9-179.7-176-106.6000112.1G68 L75 I109G68-F71 PolarHBondContact O-N 3.26Å; F71-L75 HydrophobicContact CE1-CD1 4.34Å; F71-L75 HydrophobicContact CZ-CD1 4.36Å; F71-L75 WeakPolarHBondContact O-CB 3.32Å; F71-L75 PolarHBondContact O-N 3Å; F71-I109 HydrophobicContact CE1-CD1 4.12Å; F71-I109 HydrophobicContact CE1-CG2 4.38Å
72I72.7Confident71.3Confident24 Ų2452 Ų5212%0.12330%0.303CS..Hα-helixtrans-61.7-49.2175.5-73.1162.5000110.2G68 L75 V76 Q106 C110 M113G68-I72 WeakPolarHBondContact O-CB 3.48Å; G68-I72 WeakPolarHBondContact O-CD1 3.44Å; G68-I72 WeakPolarHBondContact O-CG1 3.21Å; G68-I72 PolarHBondContact O-N 2.85Å; I72-L75 PolarHBondContact O-N 2.67Å; I72-V76 HydrophobicContact CG2-CG2 4.26Å; I72-V76 WeakPolarHBondContact O-CB 3.31Å; I72-V76 VanDerWaalsContact O-CG2 3.27Å; I72-V76 WeakPolarHBondContact O-CG2 3.29Å; I72-V76 PolarHBondContact O-N 3.36Å; I72-Q106 HydrophobicContact CG2-CG 3.88Å; I72-Q106 VanDerWaalsContact CG2-NE2 3.26Å; I72-C110 WeakPolarHBondContact CD1-SG 3.24Å; I72-M113 HydrophobicContact CD1-CE 3.31Å; I72-M113 HydrophobicContact CG1-CE 3.89Å
73N70.3Confident71.8Confident40 Ų4052.4 Ų52.421%0.21431%0.306CS..Hα-helixtrans-62.8-46.4-179.1-72.8-17.1000110.8F5 L69 L75 V76 F77F5-N73 HydrophobicContact CE2-CB 4.36Å; L69-N73 VanDerWaalsContact O-CB 3.32Å; L69-N73 WeakPolarHBondContact O-CB 3.18Å; L69-N73 PolarHBondContact O-N 2.95Å; L69-N73 PolarHBondContact O-ND2 3.06Å; N73-L75 VanDerWaalsContact C-N 3.28Å; N73-L75 PolarHBondContact O-N 2.97Å; N73-V76 PolarHBondContact O-N 3.43Å; N73-F77 HydrophobicContact CB-CD2 4.47Å; N73-F77 HydrophobicContact CB-CE2 4.38Å; N73-F77 WeakPolarHBondContact O-CD2 3.4Å; N73-F77 PolarHBondContact O-N 2.8Å
74A70.8Confident72.3Confident52 Ų5252.3 Ų52.343%0.4330%0.295SS..Hα-helixtrans-58.1-41.7176.400000112.1T70 G78T70-A74 VanDerWaalsContact O-CB 3.23Å; T70-A74 WeakPolarHBondContact O-CB 3.5Å; T70-A74 PolarHBondContact O-N 2.96Å; A74-G78 PolarHBondContact O-N 3.48Å
75L77.4Confident73Confident40 Ų4060.5 Ų60.521%0.20932%0.324CS..Hα-helixtrans-68.6-42.5179-173.9137.9000112.1F71 I72 N73 G78 V79 I105 I109F71-L75 HydrophobicContact CE1-CD1 4.34Å; F71-L75 HydrophobicContact CZ-CD1 4.36Å; F71-L75 WeakPolarHBondContact O-CB 3.32Å; F71-L75 PolarHBondContact O-N 3Å; I72-L75 PolarHBondContact O-N 2.67Å; N73-L75 VanDerWaalsContact C-N 3.28Å; N73-L75 PolarHBondContact O-N 2.97Å; L75-G78 PolarHBondContact O-N 2.88Å; L75-V79 HydrophobicContact CD2-CG2 4.42Å; L75-V79 WeakPolarHBondContact O-CB 3.27Å; L75-V79 VanDerWaalsContact O-CG2 3.22Å; L75-V79 WeakPolarHBondContact O-CG2 3.49Å; L75-V79 PolarHBondContact O-N 2.87Å; L75-I105 HydrophobicContact CD2-CB 4.33Å; L75-I105 HydrophobicContact CD2-CG2 3.72Å; L75-I109 HydrophobicContact CD1-CD1 3.41Å; L75-I109 VanDerWaalsContact CD1-CD1 3.41Å; L75-I109 HydrophobicContact CD2-CD1 4.16Å; L75-I109 HydrophobicContact CG-CD1 4.41Å
76V75.9Confident73.9Confident24 Ų2463.3 Ų63.315%0.14535%0.349CS..Hα-helixtrans-60.4-50.5175.51680000110.7I72 N73 G78 V79 Q80 A102 Q106I72-V76 HydrophobicContact CG2-CG2 4.26Å; I72-V76 WeakPolarHBondContact O-CB 3.31Å; I72-V76 VanDerWaalsContact O-CG2 3.27Å; I72-V76 WeakPolarHBondContact O-CG2 3.29Å; I72-V76 PolarHBondContact O-N 3.36Å; N73-V76 PolarHBondContact O-N 3.43Å; V76-G78 VanDerWaalsContact C-N 3.35Å; V76-G78 PolarHBondContact O-N 3.32Å; V76-V79 PolarHBondContact O-N 3.32Å; V76-Q80 WeakPolarHBondContact O-CB 3.35Å; V76-Q80 PolarHBondContact O-N 3.15Å; V76-A102 HydrophobicContact CG1-CB 4.23Å; V76-Q106 HydrophobicContact CG2-CB 3.85Å; V76-Q106 HydrophobicContact CG2-CG 3.95Å
77F73.8Confident74.4Confident115 Ų11563.5 Ų63.550%0.50435%0.35SS..Hα-helixtrans-66.1-36.6178.6-73-64000112.5F5 N73 G81F5-F77 AromaticContact CD2-CD2 3.81Å; F5-F77 HydrophobicContact CD2-CD2 3.81Å; F5-F77 AromaticContact CD2-CE2 3.66Å; F5-F77 HydrophobicContact CD2-CE2 3.66Å; F5-F77 HydrophobicContact CD2-CZ 4.46Å; F5-F77 AromaticContact CE2-CD2 3.53Å; F5-F77 HydrophobicContact CE2-CD2 3.53Å; F5-F77 AromaticContact CE2-CE2 3.63Å; F5-F77 HydrophobicContact CE2-CE2 3.63Å; N73-F77 HydrophobicContact CB-CD2 4.47Å; N73-F77 HydrophobicContact CB-CE2 4.38Å; N73-F77 WeakPolarHBondContact O-CD2 3.4Å; N73-F77 PolarHBondContact O-N 2.8Å; F77-G81 PolarHBondContact O-N 3.48Å
78G78.3Confident74.5Confident42 Ų4259.6 Ų59.643%0.43335%0.347SS..Hα-helixtrans-62.9-48.2175.800000112.3A74 L75 V76 N82A74-G78 PolarHBondContact O-N 3.48Å; L75-G78 PolarHBondContact O-N 2.88Å; V76-G78 VanDerWaalsContact C-N 3.35Å; V76-G78 PolarHBondContact O-N 3.32Å; G78-N82 VanDerWaalsContact O-CB 3.29Å; G78-N82 WeakPolarHBondContact O-CB 3.48Å; G78-N82 PolarHBondContact O-N 2.98Å
79V77.6Confident74.9Confident27 Ų2766.3 Ų66.316%0.16438%0.377CS..Hα-helixtrans-67.6-46.7178.7174.50000110.8L75 V76 G81 N82 T83 A101 A102 I105L75-V79 HydrophobicContact CD2-CG2 4.42Å; L75-V79 WeakPolarHBondContact O-CB 3.27Å; L75-V79 VanDerWaalsContact O-CG2 3.22Å; L75-V79 WeakPolarHBondContact O-CG2 3.49Å; L75-V79 PolarHBondContact O-N 2.87Å; V76-V79 PolarHBondContact O-N 3.32Å; V79-G81 PolarHBondContact O-N 2.87Å; V79-N82 PolarHBondContact O-N 3.36Å; V79-T83 VanDerWaalsContact O-CB 3.27Å; V79-T83 WeakPolarHBondContact O-CB 3.31Å; V79-T83 PolarHBondContact O-N 3.09Å; V79-T83 PolarHBondContact O-OG1 3.22Å; V79-A101 HydrophobicContact CG1-CB 4.44Å; V79-A102 HydrophobicContact CB-CB 4.11Å; V79-A102 HydrophobicContact CG1-CB 3.98Å; V79-I105 HydrophobicContact CB-CD1 4.45Å; V79-I105 HydrophobicContact CG1-CD1 3.79Å; V79-I105 HydrophobicContact CG2-CB 4.46Å; V79-I105 HydrophobicContact CG2-CD1 3.74Å; V79-I105 HydrophobicContact CG2-CG2 4.46Å
80Q77.5Confident74.9Confident57 Ų5770.9 Ų70.927%0.26640%0.402SS..Hα-helixtrans-60.6-48.1179-175.1177.9-500110.8V76 N82 T83 L84 A98 A102V76-Q80 WeakPolarHBondContact O-CB 3.35Å; V76-Q80 PolarHBondContact O-N 3.15Å; Q80-N82 PolarHBondContact O-N 2.68Å; Q80-T83 PolarHBondContact O-N 3.47Å; Q80-L84 VanDerWaalsContact O-CB 3.32Å; Q80-L84 WeakPolarHBondContact O-CB 3.43Å; Q80-L84 PolarHBondContact O-N 3.44Å; Q80-A98 HydrophobicContact CG-CB 4.21Å; Q80-A102 HydrophobicContact CB-CB 4.1Å
81G75.6Confident75.4Confident24 Ų2469 Ų6925%0.24739%0.392CS..Hα-helixtrans-65.4-37.6-179.700000113.6F77 V79 R85F77-G81 PolarHBondContact O-N 3.48Å; V79-G81 PolarHBondContact O-N 2.87Å; G81-R85 WeakPolarHBondContact O-CB 3.45Å; G81-R85 WeakPolarHBondContact O-CG 3.44Å; G81-R85 PolarHBondContact O-N 2.95Å; G81-R85 VanDerWaalsContact O-N 3.1Å; G81-R85 PolarHBondContact O-NE 2.9Å
82N81.6Confident75.4Confident96 Ų9666.7 Ų66.751%0.51339%0.39SS..Hα-helixtrans-73-38.1176.7-163.964.6000112.3G78 V79 Q80 R85 A86G78-N82 VanDerWaalsContact O-CB 3.29Å; G78-N82 WeakPolarHBondContact O-CB 3.48Å; G78-N82 PolarHBondContact O-N 2.98Å; V79-N82 PolarHBondContact O-N 3.36Å; Q80-N82 PolarHBondContact O-N 2.68Å; N82-R85 PolarHBondContact O-N 3.19Å; N82-A86 WeakPolarHBondContact O-CB 3.35Å; N82-A86 PolarHBondContact O-N 3Å
83T78.4Confident75.5Confident35 Ų3570.6 Ų70.622%0.21541%0.41CS..Hα-helixtrans-68-41.1178-52.30000110.9V79 Q80 A86 L87 A98 A101V79-T83 VanDerWaalsContact O-CB 3.27Å; V79-T83 WeakPolarHBondContact O-CB 3.31Å; V79-T83 PolarHBondContact O-N 3.09Å; V79-T83 PolarHBondContact O-OG1 3.22Å; Q80-T83 PolarHBondContact O-N 3.47Å; T83-A86 PolarHBondContact O-N 3.26Å; T83-L87 HydrophobicContact CG2-CD1 3.75Å; T83-L87 WeakPolarHBondContact O-CB 3.45Å; T83-L87 WeakPolarHBondContact O-CD1 3.41Å; T83-L87 WeakPolarHBondContact O-CG 3.45Å; T83-L87 PolarHBondContact O-N 3.02Å; T83-A98 HydrophobicContact CG2-CB 3.9Å; T83-A101 HydrophobicContact CG2-CB 4.39Å
84L77.9Confident75.7Confident42 Ų4270 Ų7022%0.2241%0.407CS..Hα-helixtrans-65.2-40.8175.8-152.372.8000111.7Q80 A86 L87 G88 D90 Q95 A98Q80-L84 VanDerWaalsContact O-CB 3.32Å; Q80-L84 WeakPolarHBondContact O-CB 3.43Å; Q80-L84 PolarHBondContact O-N 3.44Å; L84-A86 VanDerWaalsContact C-N 3.33Å; L84-A86 PolarHBondContact O-N 3.5Å; L84-L87 PolarHBondContact O-N 3.37Å; L84-G88 PolarHBondContact O-N 3.05Å; L84-D90 WeakPolarHBondContact CD2-OD1 3.49Å; L84-Q95 HydrophobicContact CD1-CG 3.97Å; L84-A98 HydrophobicContact CB-CB 4.46Å; L84-A98 HydrophobicContact CD1-CB 4.09Å
85R79.6Confident75.7Confident184 Ų18470.2 Ų70.269%0.69440%0.399SS*.Hα-helixtrans-61.7-37.4172.4-87.3-175.6-97.1131.9-8.3113.1G81 N82G81-R85 WeakPolarHBondContact O-CB 3.45Å; G81-R85 WeakPolarHBondContact O-CG 3.44Å; G81-R85 PolarHBondContact O-N 2.95Å; G81-R85 VanDerWaalsContact O-N 3.1Å; G81-R85 PolarHBondContact O-NE 2.9Å; N82-R85 PolarHBondContact O-N 3.19Å
86A80.9Confident75.5Confident86 Ų8675.4 Ų75.471%0.71142%0.42SS*.Hα-helixtrans-72.3-29.9176.800000113.1N82 T83 L84N82-A86 WeakPolarHBondContact O-CB 3.35Å; N82-A86 PolarHBondContact O-N 3Å; T83-A86 PolarHBondContact O-N 3.26Å; L84-A86 VanDerWaalsContact C-N 3.33Å; L84-A86 PolarHBondContact O-N 3.5Å
87L79.8Confident75.4Confident60 Ų6078 Ų7831%0.31443%0.433SS..Hα-helixtrans-81.8-14.3179.8-77155.7000113.4T83 L84 H89 N94 L97T83-L87 HydrophobicContact CG2-CD1 3.75Å; T83-L87 WeakPolarHBondContact O-CB 3.45Å; T83-L87 WeakPolarHBondContact O-CD1 3.41Å; T83-L87 WeakPolarHBondContact O-CG 3.45Å; T83-L87 PolarHBondContact O-N 3.02Å; L84-L87 PolarHBondContact O-N 3.37Å; L87-H89 PolarHBondContact O-N 3.22Å; L87-N94 HydrophobicContact CB-CB 4.18Å; L87-N94 HydrophobicContact CD1-CB 4.11Å; L87-L97 HydrophobicContact CD1-CB 4.42Å
88G66.3Low75.3Confident62 Ų6272.5 Ų72.564%0.63941%0.409SS*.  trans67.5-13.1166.600000117.2L84L84-G88 PolarHBondContact O-N 3.05Å
89H73.6Confident75Confident144 Ų14472 Ų7267%0.66740%0.403SS*.SBendtrans-133.2129.7-179.3-77.6-108.2000111.3L87 S91 N94L87-H89 PolarHBondContact O-N 3.22Å; H89-S91 VanDerWaalsContact C-N 3.27Å; H89-S91 PolarHBondContact O-N 3.17Å; H89-N94 WeakPolarHBondContact O-CB 3.24Å; H89-N94 PolarHBondContact O-ND2 3.46Å
90D67.6Low74.8Confident129 Ų12973 Ų7369%0.6942%0.415SS*.  trans-75.579.9169.8-78.8-30.8000110.2L84L84-D90 WeakPolarHBondContact CD2-OD1 3.49Å
91S76.4Confident74.7Confident42 Ų4272 Ų7229%0.29442%0.416SS..  trans-104.3147.3170.2168.10000110H89 L93 N94 Q95H89-S91 VanDerWaalsContact C-N 3.27Å; H89-S91 PolarHBondContact O-N 3.17Å; S91-L93 PolarHBondContact O-N 2.97Å; S91-L93 VanDerWaalsContact O-N 3.11Å; S91-L93 PolarHBondContact OG-N 3.5Å; S91-N94 PolarHBondContact O-N 3.35Å; S91-Q95 PolarHBondContact O-N 2.93Å
92P71.2Confident74.5Confident75 Ų7571 Ų7149%0.48741%0.405SS..Hα-helixtrans-50.9-36.1172.8-25.133.2000112.5F96 A301P92-F96 WeakPolarHBondContact O-CB 3.34Å; P92-F96 PolarHBondContact O-N 3.29Å; P92-A301 HydrophobicContact CB-CB 3.58Å; P92-A301 HydrophobicContact CG-CB 3.42Å; P92-A301 VanDerWaalsContact CG-CB 3.42Å
93L74.2Confident74Confident107 Ų10767.5 Ų67.556%0.5639%0.392SS*.Hα-helixtrans-72.5-39.1179.5-161.7155.2000111.2S91 F96 L97S91-L93 PolarHBondContact O-N 2.97Å; S91-L93 VanDerWaalsContact O-N 3.11Å; S91-L93 PolarHBondContact OG-N 3.5Å; L93-F96 WeakPolarHBondContact O-CB 3.38Å; L93-F96 PolarHBondContact O-N 3.15Å; L93-L97 HydrophobicContact CD2-CD1 3.47Å; L93-L97 VanDerWaalsContact CD2-CD1 3.47Å; L93-L97 HydrophobicContact CD2-CG 3.89Å; L93-L97 WeakPolarHBondContact O-CB 3.28Å; L93-L97 WeakPolarHBondContact O-CG 3.32Å; L93-L97 PolarHBondContact O-N 2.94Å
94N75.1Confident73.8Confident26 Ų2668.5 Ų68.514%0.13940%0.404CS..Hα-helixtrans-69.9-35.8177.1-69.6-8.1000111.8L87 H89 S91 L97 A98L87-N94 HydrophobicContact CB-CB 4.18Å; L87-N94 HydrophobicContact CD1-CB 4.11Å; H89-N94 WeakPolarHBondContact O-CB 3.24Å; H89-N94 PolarHBondContact O-ND2 3.46Å; S91-N94 PolarHBondContact O-N 3.35Å; N94-L97 PolarHBondContact O-N 3.37Å; N94-A98 WeakPolarHBondContact O-CB 3.36Å; N94-A98 PolarHBondContact O-N 3.29Å
95Q71.5Confident73.8Confident57 Ų5770.2 Ų70.227%0.26641%0.413SS..Hα-helixtrans-65.2-41.1171.1-71.9172.9-30.200111.6L84 S91 G99L84-Q95 HydrophobicContact CD1-CG 3.97Å; S91-Q95 PolarHBondContact O-N 2.93Å; Q95-G99 PolarHBondContact O-N 3.47Å
96F72.3Confident73.8Confident149 Ų14964.5 Ų64.565%0.65439%0.394SS*.Hα-helixtrans-62.8-46.4173.3178.8-94.4000111.9P92 L93 G99 A100P92-F96 WeakPolarHBondContact O-CB 3.34Å; P92-F96 PolarHBondContact O-N 3.29Å; L93-F96 WeakPolarHBondContact O-CB 3.38Å; L93-F96 PolarHBondContact O-N 3.15Å; F96-G99 PolarHBondContact O-N 2.86Å; F96-A100 VanDerWaalsContact O-CB 3.26Å; F96-A100 WeakPolarHBondContact O-CB 3.44Å; F96-A100 PolarHBondContact O-N 3.49Å
97L74.1Confident73.4Confident79 Ų7961.7 Ų61.741%0.41437%0.369SS..Hα-helixtrans-64.4-43.1178.1-72.6176.3000112.1L87 L93 N94 G99 A100 A101L87-L97 HydrophobicContact CD1-CB 4.42Å; L93-L97 HydrophobicContact CD2-CD1 3.47Å; L93-L97 VanDerWaalsContact CD2-CD1 3.47Å; L93-L97 HydrophobicContact CD2-CG 3.89Å; L93-L97 WeakPolarHBondContact O-CB 3.28Å; L93-L97 WeakPolarHBondContact O-CG 3.32Å; L93-L97 PolarHBondContact O-N 2.94Å; N94-L97 PolarHBondContact O-N 3.37Å; L97-G99 VanDerWaalsContact C-N 3.35Å; L97-A100 PolarHBondContact O-N 2.85Å; L97-A101 WeakPolarHBondContact O-CB 3.16Å; L97-A101 PolarHBondContact O-N 3.26Å
98A72.7Confident73.2Confident0 Ų063 Ų630%038%0.379CS..Hα-helixtrans-63.3-41.317500000111.7Q80 T83 L84 N94 A102Q80-A98 HydrophobicContact CG-CB 4.21Å; T83-A98 HydrophobicContact CG2-CB 3.9Å; L84-A98 HydrophobicContact CB-CB 4.46Å; L84-A98 HydrophobicContact CD1-CB 4.09Å; N94-A98 WeakPolarHBondContact O-CB 3.36Å; N94-A98 PolarHBondContact O-N 3.29Å; A98-A102 WeakPolarHBondContact O-CB 3.16Å; A98-A102 PolarHBondContact O-N 3.41Å
99G71.4Confident73.6Confident31 Ų3162.3 Ų62.332%0.3236%0.36SS..Hα-helixtrans-66.2-41.1174.400000112.9Q95 F96 L97 A102 G103Q95-G99 PolarHBondContact O-N 3.47Å; F96-G99 PolarHBondContact O-N 2.86Å; L97-G99 VanDerWaalsContact C-N 3.35Å; G99-A102 PolarHBondContact O-N 3.01Å; G99-G103 PolarHBondContact O-N 2.94Å
100A72.3Confident73.6Confident49 Ų4956.3 Ų56.341%0.40533%0.334SS..Hα-helixtrans-66.4-41.6176.800000111.7F96 L97 G103 A104F96-A100 VanDerWaalsContact O-CB 3.26Å; F96-A100 WeakPolarHBondContact O-CB 3.44Å; F96-A100 PolarHBondContact O-N 3.49Å; L97-A100 PolarHBondContact O-N 2.85Å; A100-G103 PolarHBondContact O-N 3.46Å; A100-A104 WeakPolarHBondContact O-CB 3.43Å; A100-A104 PolarHBondContact O-N 3.12Å
101A75.5Confident73.9Confident36 Ų3650.5 Ų50.530%0.29830%0.303SS..Hα-helixtrans-63.3-46174.100000111.4V79 T83 L97 G103 A104 I105V79-A101 HydrophobicContact CG1-CB 4.44Å; T83-A101 HydrophobicContact CG2-CB 4.39Å; L97-A101 WeakPolarHBondContact O-CB 3.16Å; L97-A101 PolarHBondContact O-N 3.26Å; A101-G103 PolarHBondContact O-N 3.49Å; A101-A104 PolarHBondContact O-N 3.35Å; A101-I105 WeakPolarHBondContact O-CG1 3.44Å; A101-I105 PolarHBondContact O-N 3.42Å; A101-I105 VanDerWaalsContact O-N 3.1Å
102A72.4Confident73.8Confident2 Ų249.2 Ų49.22%0.01729%0.294CS..Hα-helixtrans-60.2-44.5174.800000112V76 V79 Q80 A98 G99 A104 I105 Q106V76-A102 HydrophobicContact CG1-CB 4.23Å; V79-A102 HydrophobicContact CB-CB 4.11Å; V79-A102 HydrophobicContact CG1-CB 3.98Å; Q80-A102 HydrophobicContact CB-CB 4.1Å; A98-A102 WeakPolarHBondContact O-CB 3.16Å; A98-A102 PolarHBondContact O-N 3.41Å; G99-A102 PolarHBondContact O-N 3.01Å; A102-A104 PolarHBondContact O-N 3.21Å; A102-I105 PolarHBondContact O-N 3.17Å; A102-Q106 WeakPolarHBondContact O-CB 3.18Å; A102-Q106 PolarHBondContact O-N 3.48Å
103G70.7Confident73.9Confident23 Ų2347.8 Ų47.824%0.23728%0.282CS..Hα-helixtrans-64.3-37.1176.800000113.4G99 A100 A101 C107G99-G103 PolarHBondContact O-N 2.94Å; A100-G103 PolarHBondContact O-N 3.46Å; A101-G103 PolarHBondContact O-N 3.49Å; G103-C107 WeakPolarHBondContact O-CB 3.24Å; G103-C107 PolarHBondContact O-N 3.08Å; G103-C107 PolarHBondContact O-SG 3.2Å
104A75Confident73.8Confident56 Ų5646 Ų4646%0.46327%0.271SS..Hα-helixtrans-65.8-47.4176.300000111.6A100 A101 A102 Q106 C107 V108A100-A104 WeakPolarHBondContact O-CB 3.43Å; A100-A104 PolarHBondContact O-N 3.12Å; A101-A104 PolarHBondContact O-N 3.35Å; A102-A104 PolarHBondContact O-N 3.21Å; A104-Q106 VanDerWaalsContact C-N 3.34Å; A104-C107 WeakPolarHBondContact O-CB 3.29Å; A104-C107 PolarHBondContact O-N 3.37Å; A104-V108 PolarHBondContact O-N 2.86Å
105I77.9Confident73.9Confident78 Ų7844.8 Ų44.840%0.426%0.264SS..Hα-helixtrans-66.8-40.3177.6-58.3-176.9000110.3L75 V79 A101 A102 C107 V108L75-I105 HydrophobicContact CD2-CB 4.33Å; L75-I105 HydrophobicContact CD2-CG2 3.72Å; V79-I105 HydrophobicContact CB-CD1 4.45Å; V79-I105 HydrophobicContact CG1-CD1 3.79Å; V79-I105 HydrophobicContact CG2-CB 4.46Å; V79-I105 HydrophobicContact CG2-CD1 3.74Å; V79-I105 HydrophobicContact CG2-CG2 4.46Å; A101-I105 WeakPolarHBondContact O-CG1 3.44Å; A101-I105 PolarHBondContact O-N 3.42Å; A101-I105 VanDerWaalsContact O-N 3.1Å; A102-I105 PolarHBondContact O-N 3.17Å; I105-C107 VanDerWaalsContact C-N 3.31Å; I105-C107 PolarHBondContact O-N 2.95Å; I105-V108 PolarHBondContact O-N 3.39Å
106Q79.1Confident74.1Confident63 Ų6342.1 Ų42.129%0.29425%0.251SS..Hα-helixtrans-57.1-43.9172.8178-179.114.700111.6I72 V76 A102 A104 V108 I109 C110I72-Q106 HydrophobicContact CG2-CG 3.88Å; I72-Q106 VanDerWaalsContact CG2-NE2 3.26Å; V76-Q106 HydrophobicContact CG2-CB 3.85Å; V76-Q106 HydrophobicContact CG2-CG 3.95Å; A102-Q106 WeakPolarHBondContact O-CB 3.18Å; A102-Q106 PolarHBondContact O-N 3.48Å; A104-Q106 VanDerWaalsContact C-N 3.34Å; Q106-V108 VanDerWaalsContact C-N 3.28Å; Q106-V108 PolarHBondContact O-N 2.91Å; Q106-I109 PolarHBondContact O-N 2.72Å; Q106-I109 VanDerWaalsContact O-N 3.09Å; Q106-C110 HydrophobicContact CG-CB 4.47Å; Q106-C110 WeakPolarHBondContact CG-SG 3.36Å; Q106-C110 WeakPolarHBondContact O-CB 3.12Å; Q106-C110 PolarHBondContact O-N 3.41Å; Q106-C110 PolarHBondContact O-SG 3.48Å
107C72.3Confident74.1Confident27 Ų2736.5 Ų36.518%0.18223%0.227CC..Hα-helixtrans-59.6-36.8-180-79.80000112.9G103 A104 I105 I109 C111G103-C107 WeakPolarHBondContact O-CB 3.24Å; G103-C107 PolarHBondContact O-N 3.08Å; G103-C107 PolarHBondContact O-SG 3.2Å; A104-C107 WeakPolarHBondContact O-CB 3.29Å; A104-C107 PolarHBondContact O-N 3.37Å; I105-C107 VanDerWaalsContact C-N 3.31Å; I105-C107 PolarHBondContact O-N 2.95Å; C107-I109 PolarHBondContact O-N 2.93Å; C107-C111 WeakPolarHBondContact O-CB 3.38Å; C107-C111 PolarHBondContact O-N 2.9Å; C107-C111 PolarHBondContact O-SG 2.88Å
108V75.8Confident74Confident89 Ų8933.6 Ų33.654%0.53921%0.212SC..Hα-helixtrans-61.5-29.6178.3176.60000111.9A104 I105 Q106 P112A104-V108 PolarHBondContact O-N 2.86Å; I105-V108 PolarHBondContact O-N 3.39Å; Q106-V108 VanDerWaalsContact C-N 3.28Å; Q106-V108 PolarHBondContact O-N 2.91Å; V108-P112 WeakPolarHBondContact O-CD 3.11Å; V108-P112 VanDerWaalsContact O-CG 3.24Å; V108-P112 WeakPolarHBondContact O-CG 3.4Å
109I74.9Confident74Confident46 Ų4633.7 Ų33.724%0.23621%0.213CC..Hα-helixtrans-97.9-41.7-178.4-57.9173.4000111.2F71 L75 Q106 C107 P112 M113F71-I109 HydrophobicContact CE1-CD1 4.12Å; F71-I109 HydrophobicContact CE1-CG2 4.38Å; L75-I109 HydrophobicContact CD1-CD1 3.41Å; L75-I109 VanDerWaalsContact CD1-CD1 3.41Å; L75-I109 HydrophobicContact CD2-CD1 4.16Å; L75-I109 HydrophobicContact CG-CD1 4.41Å; Q106-I109 PolarHBondContact O-N 2.72Å; Q106-I109 VanDerWaalsContact O-N 3.09Å; C107-I109 PolarHBondContact O-N 2.93Å; I109-P112 WeakPolarHBondContact O-CD 3.33Å; I109-P112 VanDerWaalsContact O-CG 3.28Å; I109-P112 WeakPolarHBondContact O-CG 3.49Å; I109-M113 HydrophobicContact CG2-CE 4.09Å; I109-M113 WeakPolarHBondContact O-CG 3.19Å; I109-M113 PolarHBondContact O-N 3.34Å
110C73.2Confident74.1Confident19 Ų1933.3 Ų33.313%0.12820%0.203CC..Hα-helixtrans-67.1-42.4179.9-75.70000112.1I72 Q106 M113 E114I72-C110 WeakPolarHBondContact CD1-SG 3.24Å; Q106-C110 HydrophobicContact CG-CB 4.47Å; Q106-C110 WeakPolarHBondContact CG-SG 3.36Å; Q106-C110 WeakPolarHBondContact O-CB 3.12Å; Q106-C110 PolarHBondContact O-N 3.41Å; Q106-C110 PolarHBondContact O-SG 3.48Å; C110-M113 PolarHBondContact O-N 3.46Å; C110-E114 WeakPolarHBondContact O-CB 3.29Å; C110-E114 WeakPolarHBondContact O-CG 3.46Å; C110-E114 PolarHBondContact O-N 3.4Å
111C74.2Confident73.7Confident6 Ų632.2 Ų32.24%0.04119%0.19CC..Hα-helixtrans-57.1-50.1-177.7-73.30000113.4C107 M113 E114 L115 M154C107-C111 WeakPolarHBondContact O-CB 3.38Å; C107-C111 PolarHBondContact O-N 2.9Å; C107-C111 PolarHBondContact O-SG 2.88Å; C111-M113 VanDerWaalsContact C-N 3.33Å; C111-M113 PolarHBondContact O-N 3.23Å; C111-E114 PolarHBondContact O-N 3.38Å; C111-L115 WeakPolarHBondContact O-CB 3.42Å; C111-L115 PolarHBondContact O-N 3.34Å; C111-M154 HydrophobicContact CB-SD 4.34Å
112P73.8Confident73.4Confident16 Ų1631 Ų3110%0.10418%0.178CC..Hα-helixtrans-63.6-38.3175.919.4-29.1000112.5V108 I109 L115 A116 L138 V150V108-P112 WeakPolarHBondContact O-CD 3.11Å; V108-P112 VanDerWaalsContact O-CG 3.24Å; V108-P112 WeakPolarHBondContact O-CG 3.4Å; I109-P112 WeakPolarHBondContact O-CD 3.33Å; I109-P112 VanDerWaalsContact O-CG 3.28Å; I109-P112 WeakPolarHBondContact O-CG 3.49Å; P112-L115 PolarHBondContact O-N 3.47Å; P112-A116 WeakPolarHBondContact O-CB 3.11Å; P112-A116 PolarHBondContact O-N 2.85Å; P112-L138 HydrophobicContact CB-CD1 4.32Å; P112-L138 HydrophobicContact CB-CD2 3.69Å; P112-L138 WeakPolarHBondContact O-CD2 3.18Å; P112-V150 HydrophobicContact CB-CG1 3.66Å; P112-V150 HydrophobicContact CG-CG1 4.42Å
113M74.2Confident73.1Confident45 Ų4532.1 Ų32.122%0.22218%0.183CC..Hα-helixtrans-66-42.1177.4-69.8-160.5-58.200112.6I72 I109 C110 C111 L115 A116 K117I72-M113 HydrophobicContact CD1-CE 3.31Å; I72-M113 HydrophobicContact CG1-CE 3.89Å; I109-M113 HydrophobicContact CG2-CE 4.09Å; I109-M113 WeakPolarHBondContact O-CG 3.19Å; I109-M113 PolarHBondContact O-N 3.34Å; C110-M113 PolarHBondContact O-N 3.46Å; C111-M113 VanDerWaalsContact C-N 3.33Å; C111-M113 PolarHBondContact O-N 3.23Å; M113-L115 VanDerWaalsContact C-N 3.34Å; M113-A116 PolarHBondContact O-N 3.1Å; M113-K117 WeakPolarHBondContact O-CB 3.42Å; M113-K117 PolarHBondContact O-N 2.92Å
114E71.9Confident72.5Confident70 Ų7036.2 Ų36.233%0.32720%0.2SC..Hα-helixtrans-62.1-42.4173.8-75.1-173.3175.100111.5C110 C111 K117 T118 K214C110-E114 WeakPolarHBondContact O-CB 3.29Å; C110-E114 WeakPolarHBondContact O-CG 3.46Å; C110-E114 PolarHBondContact O-N 3.4Å; C111-E114 PolarHBondContact O-N 3.38Å; E114-K117 PolarHBondContact O-N 2.87Å; E114-T118 WeakPolarHBondContact O-CB 3.3Å; E114-T118 PolarHBondContact O-N 2.93Å; E114-T118 PolarHBondContact O-OG1 3.44Å; E114-K214 IonicContact OE2-NZ 2.78Å; E114-K214 PolarHBondContact OE2-NZ 3.35Å
115L76.1Confident71.6Confident0 Ų036.5 Ų36.50%020%0.202CC..Hα-helixtrans-59.5-52.2175179.967000110.4C111 P112 M113 K117 T118 R119 I141 G149 Q218C111-L115 WeakPolarHBondContact O-CB 3.42Å; C111-L115 PolarHBondContact O-N 3.34Å; P112-L115 PolarHBondContact O-N 3.47Å; M113-L115 VanDerWaalsContact C-N 3.34Å; L115-K117 VanDerWaalsContact C-N 3.33Å; L115-K117 PolarHBondContact O-N 3.49Å; L115-T118 PolarHBondContact O-N 2.95Å; L115-R119 HydrophobicContact CD1-CG 4.31Å; L115-R119 HydrophobicContact CG-CG 4.38Å; L115-R119 WeakPolarHBondContact O-CB 3.42Å; L115-R119 WeakPolarHBondContact O-CG 3.25Å; L115-R119 PolarHBondContact O-N 3.3Å; L115-I141 HydrophobicContact CD2-CD1 4.09Å; L115-I141 HydrophobicContact CD2-CG2 4.49Å; L115-I141 HydrophobicContact CG-CD1 4.35Å; L115-G149 VanDerWaalsContact CD2-O 3.29Å; L115-G149 WeakPolarHBondContact CD2-O 3.23Å; L115-Q218 HydrophobicContact CD1-CB 3.94Å; L115-Q218 HydrophobicContact CD1-CG 4.05Å
116A75.6Confident70.5Confident0 Ų034.3 Ų34.30%020%0.199CC..Hα-helixtrans-59.9-42.6179.600000112.1P112 M113 R119 L120 L138P112-A116 WeakPolarHBondContact O-CB 3.11Å; P112-A116 PolarHBondContact O-N 2.85Å; M113-A116 PolarHBondContact O-N 3.1Å; A116-R119 PolarHBondContact O-N 3.4Å; A116-L120 WeakPolarHBondContact O-CB 3.24Å; A116-L120 VanDerWaalsContact O-CG 3.32Å; A116-L120 WeakPolarHBondContact O-CG 3.3Å; A116-L120 PolarHBondContact O-N 3.06Å; A116-L138 HydrophobicContact CB-CD1 4.32Å; A116-L138 HydrophobicContact CB-CD2 4.18Å; A116-L138 HydrophobicContact CB-CG 3.92Å
117K73.6Confident69Low31 Ų3138.4 Ų38.414%0.13523%0.231CC..Hα-helixtrans-59.9-50175.6-173.3-170.2-176.6-1750110.9H20 D23 P65 M113 E114 L115 R119 L120 Q121H20-K117 PolarHBondContact ND1-NZ 2.85Å; D23-K117 IonicContact OD2-NZ 2.76Å; P65-K117 HydrophobicContact CG-CD 3.65Å; M113-K117 WeakPolarHBondContact O-CB 3.42Å; M113-K117 PolarHBondContact O-N 2.92Å; E114-K117 PolarHBondContact O-N 2.87Å; L115-K117 VanDerWaalsContact C-N 3.33Å; L115-K117 PolarHBondContact O-N 3.49Å; K117-R119 PolarHBondContact O-N 3.35Å; K117-L120 PolarHBondContact O-N 3.24Å; K117-Q121 HydrophobicContact CG-CG 4.48Å; K117-Q121 WeakPolarHBondContact O-CB 3.41Å; K117-Q121 VanDerWaalsContact O-CG 3.3Å; K117-Q121 WeakPolarHBondContact O-CG 3.25Å; K117-Q121 PolarHBondContact O-N 3.01Å
118T70.6Confident68.3Low18 Ų1841.3 Ų41.311%0.1126%0.257CS..Hα-helixtrans-59-48.3178.9-61.80000110.3E114 L115 L120 Q121 L122 Q218E114-T118 WeakPolarHBondContact O-CB 3.3Å; E114-T118 PolarHBondContact O-N 2.93Å; E114-T118 PolarHBondContact O-OG1 3.44Å; L115-T118 PolarHBondContact O-N 2.95Å; T118-L120 PolarHBondContact O-N 3.09Å; T118-Q121 PolarHBondContact O-N 2.92Å; T118-L122 HydrophobicContact CG2-CD1 3.69Å; T118-L122 HydrophobicContact CG2-CG 4.41Å; T118-L122 WeakPolarHBondContact O-CB 3.33Å; T118-L122 WeakPolarHBondContact O-CG 3.4Å; T118-L122 PolarHBondContact O-N 2.91Å; T118-Q218 HydrophobicContact CG2-CB 4.26Å
119R74.1Confident67.6Low2 Ų244.4 Ų44.41%0.00826%0.259CS..Hα-helixtrans-58.5-45.8178.2-64.1-80.1-171.1-172.2-2.4112.7L115 A116 K117 L122 Q123 C137 I141 Q218 A219 D220 L222L115-R119 HydrophobicContact CD1-CG 4.31Å; L115-R119 HydrophobicContact CG-CG 4.38Å; L115-R119 WeakPolarHBondContact O-CB 3.42Å; L115-R119 WeakPolarHBondContact O-CG 3.25Å; L115-R119 PolarHBondContact O-N 3.3Å; A116-R119 PolarHBondContact O-N 3.4Å; K117-R119 PolarHBondContact O-N 3.35Å; R119-L122 PolarHBondContact O-N 2.95Å; R119-Q123 PolarHBondContact O-N 3.48Å; R119-Q123 VanDerWaalsContact O-N 3.09Å; R119-C137 VanDerWaalsContact CB-SG 3.57Å; R119-I141 HydrophobicContact CG-CD1 4.25Å; R119-Q218 PolarHBondContact NE-O 3.13Å; R119-Q218 VanDerWaalsContact NE-O 3.09Å; R119-Q218 PolarHBondContact NH2-O 3.33Å; R119-A219 PolarHBondContact NH1-O 3.42Å; R119-D220 PolarHBondContact NH1-O 3.16Å; R119-D220 PolarHBondContact NH2-O 3.42Å; R119-L222 HydrophobicContact CB-CD1 3.91Å; R119-L222 HydrophobicContact CG-CD1 4.13Å
120L73.1Confident67.2Low24 Ų2446.3 Ų46.313%0.12627%0.273CS..Hα-helixtrans-66.2-36.9177.9-76.4170.1000113.4A116 K117 T118 L122 S134A116-L120 WeakPolarHBondContact O-CB 3.24Å; A116-L120 VanDerWaalsContact O-CG 3.32Å; A116-L120 WeakPolarHBondContact O-CG 3.3Å; A116-L120 PolarHBondContact O-N 3.06Å; K117-L120 PolarHBondContact O-N 3.24Å; T118-L120 PolarHBondContact O-N 3.09Å; L120-L122 PolarHBondContact O-N 3.25Å; L120-S134 WeakPolarHBondContact CD1-OG 3.37Å
121Q63.8Low67.1Low26 Ų2646.6 Ų46.612%0.12127%0.271CS..Hα-helixtrans-70-24.4176.7-75.2-176.5-26.300112.3V27 K117 T118V27-Q121 HydrophobicContact CG1-CB 4.14Å; K117-Q121 HydrophobicContact CG-CG 4.48Å; K117-Q121 WeakPolarHBondContact O-CB 3.41Å; K117-Q121 VanDerWaalsContact O-CG 3.3Å; K117-Q121 WeakPolarHBondContact O-CG 3.25Å; K117-Q121 PolarHBondContact O-N 3.01Å; T118-Q121 PolarHBondContact O-N 2.92Å
122L68.2Low66.9Low11 Ų1155.7 Ų55.76%0.05831%0.31CS..Hα-helixtrans-93.1-13.8-179.5-65.6176.1000114.4V27 V31 T118 R119 L120 D124 A219 L222V27-L122 HydrophobicContact CG1-CD2 3.42Å; V27-L122 VanDerWaalsContact CG1-CD2 3.42Å; V27-L122 HydrophobicContact CG1-CG 3.91Å; V31-L122 HydrophobicContact CB-CD1 4.36Å; V31-L122 HydrophobicContact CB-CD2 3.31Å; V31-L122 HydrophobicContact CB-CG 4.39Å; V31-L122 HydrophobicContact CG1-CD1 4.06Å; V31-L122 HydrophobicContact CG1-CD2 3.48Å; V31-L122 VanDerWaalsContact CG1-CD2 3.48Å; V31-L122 HydrophobicContact CG1-CG 4.21Å; V31-L122 HydrophobicContact CG2-CD1 3.73Å; V31-L122 HydrophobicContact CG2-CD2 3.35Å; V31-L122 HydrophobicContact CG2-CG 4.12Å; T118-L122 HydrophobicContact CG2-CD1 3.69Å; T118-L122 HydrophobicContact CG2-CG 4.41Å; T118-L122 WeakPolarHBondContact O-CB 3.33Å; T118-L122 WeakPolarHBondContact O-CG 3.4Å; T118-L122 PolarHBondContact O-N 2.91Å; R119-L122 PolarHBondContact O-N 2.95Å; L120-L122 PolarHBondContact O-N 3.25Å; L122-D124 PolarHBondContact O-N 3.25Å; L122-A219 HydrophobicContact CD1-CB 3.55Å; L122-L222 HydrophobicContact CB-CD2 3.61Å
123Q66.4Low66.8Low25 Ų2556.1 Ų56.112%0.11732%0.317CS..SBendtrans-68.8133.4174.193.1176.3-30.300110.3R119 Y131R119-Q123 PolarHBondContact O-N 3.48Å; R119-Q123 VanDerWaalsContact O-N 3.09Å; Q123-Y131 PolarHBondContact NE2-O 3.33Å; Q123-Y131 VanDerWaalsContact OE1-N 3.07Å; Q123-Y131 PolarHBondContact OE1-O 3.3Å
124D57.8Low66.7Low109 Ų10955.2 Ų55.258%0.58332%0.315SS*.  trans-64.4145178.4-68.9-47.8000110.7L122 G126L122-D124 PolarHBondContact O-N 3.25Å; D124-G126 PolarHBondContact O-N 3.05Å
125A56.3Low67Low62 Ų6258.2 Ų58.251%0.51233%0.333SS..SBendtrans-75.734.2-178.900000113.5
126G55.3Low67.2Low32 Ų3260.5 Ų60.533%0.3335%0.345SS..SBendtrans-88.5173.8-179.600000114.1D124 A128D124-G126 PolarHBondContact O-N 3.05Å; G126-A128 PolarHBondContact O-N 3.04Å
127P48.5Very low67.3Low149 Ų14960.5 Ų60.597%0.96835%0.345SS*.SBendtrans-66-21.9177.523.8-31.1000113.5R129P127-R129 PolarHBondContact O-N 3.45Å
128A56.5Low67.5Low88 Ų8860.6 Ų60.673%0.72735%0.347SS*.  trans-91.864.7174.400000111.5G126 T130G126-A128 PolarHBondContact O-N 3.04Å; A128-T130 PolarHBondContact O-N 3.4Å
129R62.5Low68.1Low154 Ų15464.7 Ų64.758%0.58137%0.371SS*.  trans-69.8115171.6-67.9-172.8-175.6172.73109.4P127 Y131P127-R129 PolarHBondContact O-N 3.45Å; R129-Y131 VanDerWaalsContact C-N 3.3Å
130T65.8Low68.4Low86 Ų8667.3 Ų67.353%0.52838%0.384SS..SBendtrans-68.1-33.3176-44.50000111.5A128 Q140A128-T130 PolarHBondContact O-N 3.4Å; T130-Q140 PolarHBondContact O-NE2 2.81Å
131Y71.3Confident68.7Low25 Ų2566.4 Ų66.410%0.09838%0.379CS..  trans-122.3125.4-177.3-53.1-64.4000111.5Q123 R129 C137 Q140 L222Q123-Y131 PolarHBondContact NE2-O 3.33Å; Q123-Y131 VanDerWaalsContact OE1-N 3.07Å; Q123-Y131 PolarHBondContact OE1-O 3.3Å; R129-Y131 VanDerWaalsContact C-N 3.3Å; Y131-C137 VanDerWaalsContact CD1-CA 3.49Å; Y131-C137 HydrophobicContact CD1-CB 3.73Å; Y131-C137 HydrophobicContact CE1-CB 4.28Å; Y131-C137 HydrophobicContact CG-CB 3.9Å; Y131-Q140 HydrophobicContact CE1-CB 4.24Å; Y131-Q140 VanDerWaalsContact CE1-OE1 3.23Å; Y131-L222 HydrophobicContact CE2-CD1 3.83Å
132K69.6Low69.7Low197 Ų19771.8 Ų71.886%0.85740%0.399SS*.SBendtrans-80-24.4176.8-66.7179.2-179.9175.90112.6D136K132-D136 HydrophobicContact CB-CB 4.47Å; K132-D136 PolarHBondContact N-OD2 2.88Å
133G72.8Confident70.2Confident24 Ų2474.3 Ų74.325%0.24743%0.428CS..SBendtrans-174.8-178.5179.800000112.9L135 D136 C137G133-L135 PolarHBondContact O-N 2.88Å; G133-D136 PolarHBondContact O-N 2.69Å; G133-C137 WeakPolarHBondContact O-CB 3.49Å; G133-C137 PolarHBondContact O-N 3.41Å
134S71.5Confident70.8Confident26 Ų2681 Ų8118%0.18246%0.459CS..Hα-helixtrans-66.9-38.3-173.6-590000112.4S64 L120 C137 L138S64-S134 WeakPolarHBondContact CB-OG 3.42Å; L120-S134 WeakPolarHBondContact CD1-OG 3.37Å; S134-C137 WeakPolarHBondContact O-CB 3.25Å; S134-C137 PolarHBondContact O-N 3.37Å; S134-L138 WeakPolarHBondContact O-CG 3.26Å; S134-L138 PolarHBondContact O-N 2.87Å
135L76.9Confident71.6Confident134 Ų13479.1 Ų79.170%0.70245%0.447SS*.Hα-helixtrans-69.4-44.4177.9-67.4174.6000111.6G133 C137 L138 V139G133-L135 PolarHBondContact O-N 2.88Å; L135-C137 VanDerWaalsContact C-N 3.29Å; L135-C137 PolarHBondContact O-N 2.99Å; L135-L138 PolarHBondContact O-N 3.34Å; L135-L138 VanDerWaalsContact O-N 3.14Å; L135-V139 VanDerWaalsContact O-CG2 3.3Å; L135-V139 WeakPolarHBondContact O-CG2 3.25Å; L135-V139 PolarHBondContact O-N 2.87Å
136D80.9Confident72.8Confident48 Ų4877.3 Ų77.326%0.25744%0.435SS..Hα-helixtrans-59.3-41.5175178.250.9000111.2K132 G133 L138 V139 Q140K132-D136 HydrophobicContact CB-CB 4.47Å; K132-D136 PolarHBondContact N-OD2 2.88Å; G133-D136 PolarHBondContact O-N 2.69Å; D136-L138 PolarHBondContact O-N 3.42Å; D136-V139 PolarHBondContact O-N 2.98Å; D136-Q140 VanDerWaalsContact CG-NE2 3.34Å; D136-Q140 WeakPolarHBondContact O-CB 3.37Å; D136-Q140 VanDerWaalsContact O-CG 3.29Å; D136-Q140 WeakPolarHBondContact O-CG 3.37Å; D136-Q140 PolarHBondContact O-N 3.33Å; D136-Q140 PolarHBondContact OD1-NE2 2.93Å; D136-Q140 PolarHBondContact OD2-NE2 3.27Å
137C77.9Confident73.8Confident0 Ų081.4 Ų81.40%045%0.448CS..Hα-helixtrans-59.3-47.3172.7-172.80000112.3R119 Y131 G133 S134 L135 Q140 I141R119-C137 VanDerWaalsContact CB-SG 3.57Å; Y131-C137 VanDerWaalsContact CD1-CA 3.49Å; Y131-C137 HydrophobicContact CD1-CB 3.73Å; Y131-C137 HydrophobicContact CE1-CB 4.28Å; Y131-C137 HydrophobicContact CG-CB 3.9Å; G133-C137 WeakPolarHBondContact O-CB 3.49Å; G133-C137 PolarHBondContact O-N 3.41Å; S134-C137 WeakPolarHBondContact O-CB 3.25Å; S134-C137 PolarHBondContact O-N 3.37Å; L135-C137 VanDerWaalsContact C-N 3.29Å; L135-C137 PolarHBondContact O-N 2.99Å; C137-Q140 PolarHBondContact O-N 3.46Å; C137-I141 WeakPolarHBondContact O-CB 3.47Å; C137-I141 WeakPolarHBondContact O-CD1 3.35Å; C137-I141 WeakPolarHBondContact O-CG1 3.36Å; C137-I141 PolarHBondContact O-N 3.5Å
138L79.1Confident74.8Confident32 Ų3285.2 Ų85.217%0.16844%0.443CS..Hα-helixtrans-65.3-42179-74.1172.9000113P112 A116 S134 L135 D136 I141 Y142 V150P112-L138 HydrophobicContact CB-CD1 4.32Å; P112-L138 HydrophobicContact CB-CD2 3.69Å; P112-L138 WeakPolarHBondContact O-CD2 3.18Å; A116-L138 HydrophobicContact CB-CD1 4.32Å; A116-L138 HydrophobicContact CB-CD2 4.18Å; A116-L138 HydrophobicContact CB-CG 3.92Å; S134-L138 WeakPolarHBondContact O-CG 3.26Å; S134-L138 PolarHBondContact O-N 2.87Å; L135-L138 PolarHBondContact O-N 3.34Å; L135-L138 VanDerWaalsContact O-N 3.14Å; D136-L138 PolarHBondContact O-N 3.42Å; L138-I141 PolarHBondContact O-N 3Å; L138-Y142 VanDerWaalsContact O-CB 3.32Å; L138-Y142 WeakPolarHBondContact O-CB 3.37Å; L138-Y142 PolarHBondContact O-N 2.96Å; L138-V150 HydrophobicContact CD2-CG1 4.4Å
139V82.7Confident75.6Confident104 Ų10481.1 Ų81.163%0.6341%0.41SS*.Hα-helixtrans-63.5-44.5178.3171.10000110.6L135 D136 Y142 G143L135-V139 VanDerWaalsContact O-CG2 3.3Å; L135-V139 WeakPolarHBondContact O-CG2 3.25Å; L135-V139 PolarHBondContact O-N 2.87Å; D136-V139 PolarHBondContact O-N 2.98Å; V139-Y142 PolarHBondContact O-N 3.25Å; V139-G143 PolarHBondContact O-N 3.48Å
140Q80.6Confident76.1Confident57 Ų5774.7 Ų74.727%0.26639%0.388SS..Hα-helixtrans-64.7-43.9176.4-70.9179.728.400111.9T130 Y131 D136 C137 Y142 G143 H144T130-Q140 PolarHBondContact O-NE2 2.81Å; Y131-Q140 HydrophobicContact CE1-CB 4.24Å; Y131-Q140 VanDerWaalsContact CE1-OE1 3.23Å; D136-Q140 VanDerWaalsContact CG-NE2 3.34Å; D136-Q140 WeakPolarHBondContact O-CB 3.37Å; D136-Q140 VanDerWaalsContact O-CG 3.29Å; D136-Q140 WeakPolarHBondContact O-CG 3.37Å; D136-Q140 PolarHBondContact O-N 3.33Å; D136-Q140 PolarHBondContact OD1-NE2 2.93Å; D136-Q140 PolarHBondContact OD2-NE2 3.27Å; C137-Q140 PolarHBondContact O-N 3.46Å; Q140-Y142 VanDerWaalsContact C-N 3.31Å; Q140-Y142 PolarHBondContact O-N 3.02Å; Q140-G143 PolarHBondContact O-N 3.29Å; Q140-H144 PolarHBondContact O-CD2 2.91Å; Q140-H144 PolarHBondContact O-N 3.39Å
141I79.7Confident76.4Confident6 Ų673.3 Ų73.33%0.03138%0.377CS..Hα-helixtrans-61-43176.4-70.2166.1000110.6L115 R119 C137 L138 G143 H144 E145 G146 V150L115-I141 HydrophobicContact CD2-CD1 4.09Å; L115-I141 HydrophobicContact CD2-CG2 4.49Å; L115-I141 HydrophobicContact CG-CD1 4.35Å; R119-I141 HydrophobicContact CG-CD1 4.25Å; C137-I141 WeakPolarHBondContact O-CB 3.47Å; C137-I141 WeakPolarHBondContact O-CD1 3.35Å; C137-I141 WeakPolarHBondContact O-CG1 3.36Å; C137-I141 PolarHBondContact O-N 3.5Å; L138-I141 PolarHBondContact O-N 3Å; I141-G143 VanDerWaalsContact C-N 3.34Å; I141-G143 PolarHBondContact O-N 3.05Å; I141-H144 PolarHBondContact O-N 3.46Å; I141-E145 PolarHBondContact O-N 3.42Å; I141-G146 PolarHBondContact O-N 2.9Å; I141-V150 HydrophobicContact CG2-CG2 4.04Å
142Y82.9Confident76.3Confident138 Ų13874.4 Ų74.454%0.54138%0.381SS..Hα-helixtrans-62.6-41.4176.9-176.7-96.9000111.9L138 V139 Q140 H144 G146 L147 V150L138-Y142 VanDerWaalsContact O-CB 3.32Å; L138-Y142 WeakPolarHBondContact O-CB 3.37Å; L138-Y142 PolarHBondContact O-N 2.96Å; V139-Y142 PolarHBondContact O-N 3.25Å; Q140-Y142 VanDerWaalsContact C-N 3.31Å; Q140-Y142 PolarHBondContact O-N 3.02Å; Y142-H144 PolarHBondContact O-N 3.37Å; Y142-G146 WeakPolarHBondContact O-CA 3.17Å; Y142-G146 PolarHBondContact O-N 3.21Å; Y142-L147 HydrophobicContact CD2-CD2 4.38Å; Y142-L147 HydrophobicContact CE2-CD2 3.77Å; Y142-L147 HydrophobicContact CE2-CG 3.84Å; Y142-V150 HydrophobicContact CD2-CG2 4.16Å
143G80.2Confident76.2Confident65 Ų6565.5 Ų65.567%0.6735%0.345SS*.Hα-helixtrans-65.3-34.8176.900000114.2V139 Q140 I141V139-G143 PolarHBondContact O-N 3.48Å; Q140-G143 PolarHBondContact O-N 3.29Å; I141-G143 VanDerWaalsContact C-N 3.34Å; I141-G143 PolarHBondContact O-N 3.05Å
144H78.9Confident76.2Confident166 Ų16666.6 Ų66.677%0.76934%0.344SS*.Hα-helixtrans-94.1-38.6-176.2-76-74.1000114.7Q140 I141 Y142Q140-H144 PolarHBondContact O-CD2 2.91Å; Q140-H144 PolarHBondContact O-N 3.39Å; I141-H144 PolarHBondContact O-N 3.46Å; Y142-H144 PolarHBondContact O-N 3.37Å
145E74.1Confident76.2Confident68 Ų6870.2 Ų70.232%0.31837%0.365SS..Hα-helixtrans-118.7-5.2-172.8-63.9-173.5-151.600113.3I141 G149 R152I141-E145 PolarHBondContact O-N 3.42Å; E145-G149 PolarHBondContact O-N 2.77Å; E145-G149 WeakPolarHBondContact OE2-CA 3.48Å; E145-R152 IonicContact OE1-NH1 3.88Å; E145-R152 IonicContact OE2-CZ 2.75Å; E145-R152 IonicContact OE2-NH1 3.95Å; E145-R152 PolarHBondContact OE2-NH1 2.92Å
146G80.7Confident75.9Confident25 Ų2564 Ų6426%0.25833%0.333SS..Hα-helixtrans64.8-163.7-178.800000114.2I141 Y142 R148 G149 V150I141-G146 PolarHBondContact O-N 2.9Å; Y142-G146 WeakPolarHBondContact O-CA 3.17Å; Y142-G146 PolarHBondContact O-N 3.21Å; G146-R148 PolarHBondContact O-N 2.95Å; G146-R148 VanDerWaalsContact O-N 3.13Å; G146-G149 PolarHBondContact O-N 3.43Å; G146-G149 VanDerWaalsContact O-N 3.12Å; G146-V150 PolarHBondContact O-N 3.39Å
147L76.3Confident75.4Confident118 Ų11862 Ų6262%0.61832%0.322SS*.Hα-helixtrans-57.2-28.5178.6-72.7168.5000113.4Y142 N151Y142-L147 HydrophobicContact CD2-CD2 4.38Å; Y142-L147 HydrophobicContact CE2-CD2 3.77Å; Y142-L147 HydrophobicContact CE2-CG 3.84Å; L147-N151 PolarHBondContact O-N 3.21Å; L147-N151 VanDerWaalsContact O-N 3.12Å; L147-N151 PolarHBondContact O-ND2 2.93Å
148R71.1Confident75.1Confident228 Ų22866.1 Ų66.186%0.8634%0.344SS*.Hα-helixtrans-74.1-32.8-178.8-145175.3179.9172.40.1111.9G146 R152G146-R148 PolarHBondContact O-N 2.95Å; G146-R148 VanDerWaalsContact O-N 3.13Å; R148-R152 PolarHBondContact O-N 2.7Å
149G71.9Confident74.8Confident2 Ų269 Ų692%0.02136%0.359CS..Hα-helixtrans-71.5-39.417200000113L115 E145 G146 N151 R152L115-G149 VanDerWaalsContact CD2-O 3.29Å; L115-G149 WeakPolarHBondContact CD2-O 3.23Å; E145-G149 PolarHBondContact O-N 2.77Å; E145-G149 WeakPolarHBondContact OE2-CA 3.48Å; G146-G149 PolarHBondContact O-N 3.43Å; G146-G149 VanDerWaalsContact O-N 3.12Å; G149-N151 VanDerWaalsContact C-N 3.31Å; G149-N151 PolarHBondContact O-N 3.02Å; G149-R152 WeakPolarHBondContact O-CB 3.41Å; G149-R152 PolarHBondContact O-N 3.4Å; G149-R152 VanDerWaalsContact O-N 3.14Å
150V73.6Confident74.5Confident20 Ų2065.7 Ų65.712%0.12134%0.336CS..Hα-helixtrans-64.5-36.7176.71790000111.7P112 L138 I141 Y142 G146 R152P112-V150 HydrophobicContact CB-CG1 3.66Å; P112-V150 HydrophobicContact CG-CG1 4.42Å; L138-V150 HydrophobicContact CD2-CG1 4.4Å; I141-V150 HydrophobicContact CG2-CG2 4.04Å; Y142-V150 HydrophobicContact CD2-CG2 4.16Å; G146-V150 PolarHBondContact O-N 3.39Å; V150-R152 VanDerWaalsContact C-N 3.31Å; V150-R152 PolarHBondContact O-N 3.06Å
151N72.8Confident74Confident57 Ų5765.5 Ų65.531%0.30533%0.334SS..THydrogen-bonded Turntrans-90.313.6175.9-68.9-29.5000113.8L147 G149 G153 M154L147-N151 PolarHBondContact O-N 3.21Å; L147-N151 VanDerWaalsContact O-N 3.12Å; L147-N151 PolarHBondContact O-ND2 2.93Å; G149-N151 VanDerWaalsContact C-N 3.31Å; G149-N151 PolarHBondContact O-N 3.02Å; N151-G153 PolarHBondContact O-N 3.27Å; N151-M154 HydrophobicContact CB-CB 4.47Å; N151-M154 HydrophobicContact CB-CE 4.1Å; N151-M154 VanDerWaalsContact O-CB 3.29Å; N151-M154 WeakPolarHBondContact O-CB 3.27Å; N151-M154 PolarHBondContact O-N 2.94Å
152R68.6Low73.8Confident47 Ų4770.2 Ų70.218%0.17736%0.364CS..THydrogen-bonded Turntrans-66.1117.3-178.2-166.8172.5-175.2145.72.2110E145 R148 G149 V150 D220E145-R152 IonicContact OE1-NH1 3.88Å; E145-R152 IonicContact OE2-CZ 2.75Å; E145-R152 IonicContact OE2-NH1 3.95Å; E145-R152 PolarHBondContact OE2-NH1 2.92Å; R148-R152 PolarHBondContact O-N 2.7Å; G149-R152 WeakPolarHBondContact O-CB 3.41Å; G149-R152 PolarHBondContact O-N 3.4Å; G149-R152 VanDerWaalsContact O-N 3.14Å; V150-R152 VanDerWaalsContact C-N 3.31Å; V150-R152 PolarHBondContact O-N 3.06Å; R152-D220 IonicContact CZ-OD2 3Å; R152-D220 IonicContact NH2-OD2 3.57Å; R152-D220 PolarHBondContact NH2-OD2 3.34Å
153G67.6Low73.4Confident11 Ų1166.4 Ų66.411%0.11336%0.356CS..THydrogen-bonded Turntrans96.7-1.5-175.900000115.1N151 V155 S156 T157N151-G153 PolarHBondContact O-N 3.27Å; G153-V155 PolarHBondContact O-N 3.45Å; G153-S156 VanDerWaalsContact C-OG 3.31Å; G153-S156 VanDerWaalsContact CA-OG 3.25Å; G153-S156 WeakPolarHBondContact CA-OG 3.41Å; G153-S156 PolarHBondContact O-N 3.15Å; G153-S156 PolarHBondContact O-OG 3.32Å; G153-T157 PolarHBondContact O-N 2.84Å; G153-T157 PolarHBondContact O-OG1 3.48Å; G153-T157 VanDerWaalsContact O-OG1 3.05Å
154M71.7Confident73.1Confident46 Ų4664.5 Ų64.523%0.22733%0.332CS..Hα-helixtrans-62.2-42.7176.7-171.8155.476.800112.1C111 N151 S156 T157 L158C111-M154 HydrophobicContact CB-SD 4.34Å; N151-M154 HydrophobicContact CB-CB 4.47Å; N151-M154 HydrophobicContact CB-CE 4.1Å; N151-M154 VanDerWaalsContact O-CB 3.29Å; N151-M154 WeakPolarHBondContact O-CB 3.27Å; N151-M154 PolarHBondContact O-N 2.94Å; M154-S156 VanDerWaalsContact C-N 3.34Å; M154-S156 PolarHBondContact O-N 2.9Å; M154-T157 WeakPolarHBondContact O-CB 3.45Å; M154-T157 PolarHBondContact O-N 3.03Å; M154-T157 VanDerWaalsContact O-N 3.13Å; M154-L158 PolarHBondContact O-N 3.45Å
155V73.1Confident72.8Confident103 Ų10361.9 Ų61.962%0.62432%0.319SS*.Hα-helixtrans-62.9-40175.4178.10000111.6G153 T157 L158 L159 I231G153-V155 PolarHBondContact O-N 3.45Å; V155-T157 VanDerWaalsContact C-N 3.31Å; V155-T157 PolarHBondContact O-N 3.47Å; V155-L158 PolarHBondContact O-N 3.29Å; V155-L159 VanDerWaalsContact O-CB 3.28Å; V155-L159 WeakPolarHBondContact O-CB 3.34Å; V155-L159 PolarHBondContact O-N 3Å; V155-I231 HydrophobicContact CB-CD1 4.5Å; V155-I231 HydrophobicContact CG1-CD1 4.09Å
156S69.3Low72.8Confident2 Ų260.7 Ų60.71%0.01433%0.325CS..Hα-helixtrans-68.6-30.317550.90000112.7G153 M154 R160G153-S156 VanDerWaalsContact C-OG 3.31Å; G153-S156 VanDerWaalsContact CA-OG 3.25Å; G153-S156 WeakPolarHBondContact CA-OG 3.41Å; G153-S156 PolarHBondContact O-N 3.15Å; G153-S156 PolarHBondContact O-OG 3.32Å; M154-S156 VanDerWaalsContact C-N 3.34Å; M154-S156 PolarHBondContact O-N 2.9Å; S156-R160 WeakPolarHBondContact O-CB 3.49Å; S156-R160 PolarHBondContact O-N 3.4Å
157T70.3Confident72.8Confident6 Ų661.4 Ų61.44%0.03732%0.324CS..Hα-helixtrans-65.7-50.2172.1-57.30000110.2G153 M154 V155 L159 R160 E161 K214G153-T157 PolarHBondContact O-N 2.84Å; G153-T157 PolarHBondContact O-OG1 3.48Å; G153-T157 VanDerWaalsContact O-OG1 3.05Å; M154-T157 WeakPolarHBondContact O-CB 3.45Å; M154-T157 PolarHBondContact O-N 3.03Å; M154-T157 VanDerWaalsContact O-N 3.13Å; V155-T157 VanDerWaalsContact C-N 3.31Å; V155-T157 PolarHBondContact O-N 3.47Å; T157-L159 VanDerWaalsContact C-N 3.32Å; T157-L159 PolarHBondContact O-N 2.88Å; T157-R160 WeakPolarHBondContact O-CA 3.33Å; T157-R160 WeakPolarHBondContact O-CB 3.48Å; T157-R160 PolarHBondContact O-N 2.87Å; T157-E161 HydrophobicContact CG2-CG 4.3Å; T157-E161 WeakPolarHBondContact O-CG 3.3Å; T157-E161 PolarHBondContact O-N 3.44Å; T157-K214 VanDerWaalsContact OG1-CE 3.24Å; T157-K214 WeakPolarHBondContact OG1-CE 3.18Å; T157-K214 PolarHBondContact OG1-NZ 3.44Å
158L71.4Confident72.7Confident88 Ų8859.5 Ų59.546%0.46131%0.31SS..Hα-helixtrans-60.1-43.2177.8-68.7172.6000111.8M154 V155 R160 E161 T162M154-L158 PolarHBondContact O-N 3.45Å; V155-L158 PolarHBondContact O-N 3.29Å; L158-R160 PolarHBondContact O-N 3.1Å; L158-E161 PolarHBondContact O-N 3.23Å; L158-T162 PolarHBondContact O-N 3.33Å; L158-T162 PolarHBondContact O-OG1 3.2Å
159L73.7Confident73Confident93 Ų9354 Ų5449%0.48729%0.292SS..Hα-helixtrans-64.9-22.3176.3-168.566.5000113.1V155 T157 P163V155-L159 VanDerWaalsContact O-CB 3.28Å; V155-L159 WeakPolarHBondContact O-CB 3.34Å; V155-L159 PolarHBondContact O-N 3Å; T157-L159 VanDerWaalsContact C-N 3.32Å; T157-L159 PolarHBondContact O-N 2.88Å; L159-P163 WeakPolarHBondContact O-CD 3.43Å; L159-P163 VanDerWaalsContact O-CG 3.23Å; L159-P163 WeakPolarHBondContact O-CG 3.48Å
160R75.9Confident73.5Confident34 Ų3459.6 Ų59.613%0.12832%0.321CS..Hα-helixtrans-81.6-46.7172.8-179-166.271.1177.62.3111.5S156 T157 L158 P163 S164 V210 D211S156-R160 WeakPolarHBondContact O-CB 3.49Å; S156-R160 PolarHBondContact O-N 3.4Å; T157-R160 WeakPolarHBondContact O-CA 3.33Å; T157-R160 WeakPolarHBondContact O-CB 3.48Å; T157-R160 PolarHBondContact O-N 2.87Å; L158-R160 PolarHBondContact O-N 3.1Å; R160-P163 WeakPolarHBondContact O-CD 3.42Å; R160-S164 WeakPolarHBondContact O-CB 3.26Å; R160-S164 PolarHBondContact O-N 2.79Å; R160-S164 VanDerWaalsContact O-N 3.15Å; R160-V210 HydrophobicContact CB-CB 4.44Å; R160-V210 HydrophobicContact CB-CG1 3.91Å; R160-D211 IonicContact CZ-OD1 3.77Å; R160-D211 IonicContact NH1-OD1 2.77Å; R160-D211 PolarHBondContact NH1-OD1 3.3Å
161E71.1Confident73.7Confident52 Ų5260 Ų6024%0.24332%0.323CS..Hα-helixtrans-63.5-44.9-174.5-68.4-52.6132.600111.8T157 L158 S164 F165T157-E161 HydrophobicContact CG2-CG 4.3Å; T157-E161 WeakPolarHBondContact O-CG 3.3Å; T157-E161 PolarHBondContact O-N 3.44Å; L158-E161 PolarHBondContact O-N 3.23Å; E161-S164 WeakPolarHBondContact O-CB 3.37Å; E161-S164 PolarHBondContact O-N 3.35Å; E161-F165 HydrophobicContact CB-CD2 4.45Å; E161-F165 HydrophobicContact CB-CE2 4.12Å; E161-F165 WeakPolarHBondContact O-CD2 3.44Å; E161-F165 PolarHBondContact O-N 2.77Å; E161-F165 VanDerWaalsContact O-N 3.08Å
162T73.8Confident73.9Confident106 Ų10660.5 Ų60.565%0.6532%0.321SS*.Hα-helixtrans-60.4-50.1-175.3-54.70000113L158 G166L158-T162 PolarHBondContact O-N 3.33Å; L158-T162 PolarHBondContact O-OG1 3.2Å; T162-G166 PolarHBondContact O-N 3.49Å
163P75.6Confident74.1Confident58 Ų5861.3 Ų61.338%0.37733%0.329SS..Hα-helixtrans-69.6-32.8175.5-1933.7000113L159 R160 F165 G166 V167 T207L159-P163 WeakPolarHBondContact O-CD 3.43Å; L159-P163 VanDerWaalsContact O-CG 3.23Å; L159-P163 WeakPolarHBondContact O-CG 3.48Å; R160-P163 WeakPolarHBondContact O-CD 3.42Å; P163-F165 PolarHBondContact O-N 2.87Å; P163-G166 PolarHBondContact O-N 2.96Å; P163-V167 WeakPolarHBondContact O-CG2 3.34Å; P163-V167 PolarHBondContact O-N 3.31Å; P163-T207 HydrophobicContact CB-CG2 4.24Å
164S74.2Confident74.8Confident24 Ų2463.3 Ų63.317%0.16835%0.345CS..Hα-helixtrans-56.3-49.5179-177.30000111.3R160 E161 Y168 S203R160-S164 WeakPolarHBondContact O-CB 3.26Å; R160-S164 PolarHBondContact O-N 2.79Å; R160-S164 VanDerWaalsContact O-N 3.15Å; E161-S164 WeakPolarHBondContact O-CB 3.37Å; E161-S164 PolarHBondContact O-N 3.35Å; S164-Y168 VanDerWaalsContact O-CB 3.24Å; S164-Y168 WeakPolarHBondContact O-CB 3.28Å; S164-Y168 PolarHBondContact O-N 2.98Å; S164-S203 PolarHBondContact O-OG 3.46Å; S164-S203 PolarHBondContact OG-OG 3.26Å
165F72.3Confident75.3Confident111 Ų11163.3 Ų63.349%0.48735%0.346SS..Hα-helixtrans-66.5-42.8177.6-69.9-56.8000112E161 P163 V167 Y168 F169E161-F165 HydrophobicContact CB-CD2 4.45Å; E161-F165 HydrophobicContact CB-CE2 4.12Å; E161-F165 WeakPolarHBondContact O-CD2 3.44Å; E161-F165 PolarHBondContact O-N 2.77Å; E161-F165 VanDerWaalsContact O-N 3.08Å; P163-F165 PolarHBondContact O-N 2.87Å; F165-V167 PolarHBondContact O-N 3.49Å; F165-Y168 PolarHBondContact O-N 3.44Å; F165-F169 HydrophobicContact CB-CD2 4.37Å; F165-F169 HydrophobicContact CB-CE2 4.37Å; F165-F169 HydrophobicContact CD1-CE2 4.39Å; F165-F169 WeakPolarHBondContact O-CD2 3.24Å; F165-F169 PolarHBondContact O-N 2.86Å
166G74.5Confident75.7Confident44 Ų4459.5 Ų59.545%0.45432%0.323SS..Hα-helixtrans-58.2-49.6178.700000112.7T162 P163 L170T162-G166 PolarHBondContact O-N 3.49Å; P163-G166 PolarHBondContact O-N 2.96Å; G166-L170 WeakPolarHBondContact O-CB 3.33Å; G166-L170 PolarHBondContact O-N 3.09Å
167V80Confident76.3Confident40 Ų4068.1 Ų68.124%0.24236%0.355CS..Hα-helixtrans-67.3-38.8178.7175.30000111.4P163 F165 T171 M202P163-V167 WeakPolarHBondContact O-CG2 3.34Å; P163-V167 PolarHBondContact O-N 3.31Å; F165-V167 PolarHBondContact O-N 3.49Å; V167-T171 VanDerWaalsContact O-CB 3.27Å; V167-T171 WeakPolarHBondContact O-CB 3.46Å; V167-T171 PolarHBondContact O-N 3.45Å; V167-T171 PolarHBondContact O-OG1 3.17Å; V167-M202 HydrophobicContact CG1-CB 4.24Å
168Y75.1Confident77Confident78 Ų7871.9 Ų71.931%0.30639%0.387SS..Hα-helixtrans-59.2-56.2177.1-177.9-92.7000111.5S164 F165 L170 T171 Y172 S199S164-Y168 VanDerWaalsContact O-CB 3.24Å; S164-Y168 WeakPolarHBondContact O-CB 3.28Å; S164-Y168 PolarHBondContact O-N 2.98Å; F165-Y168 PolarHBondContact O-N 3.44Å; Y168-L170 PolarHBondContact O-N 3.4Å; Y168-T171 PolarHBondContact O-N 3.3Å; Y168-Y172 VanDerWaalsContact O-CB 3.24Å; Y168-Y172 WeakPolarHBondContact O-CB 3.39Å; Y168-Y172 PolarHBondContact O-N 2.88Å; Y168-S199 WeakPolarHBondContact CE2-OG 3.39Å; Y168-S199 WeakPolarHBondContact O-CB 3.3Å
169F77.3Confident77.5Confident111 Ų11170.6 Ų70.649%0.48738%0.38SS..Hα-helixtrans-65.3-41.2-177.9-75.8-64.2000112.4F165 T171 Y172 D173F165-F169 HydrophobicContact CB-CD2 4.37Å; F165-F169 HydrophobicContact CB-CE2 4.37Å; F165-F169 HydrophobicContact CD1-CE2 4.39Å; F165-F169 WeakPolarHBondContact O-CD2 3.24Å; F165-F169 PolarHBondContact O-N 2.86Å; F169-T171 PolarHBondContact O-N 3.49Å; F169-Y172 PolarHBondContact O-N 3.14Å; F169-D173 WeakPolarHBondContact O-CB 3.12Å; F169-D173 PolarHBondContact O-N 3.03Å
170L81.3Confident77.8Confident121 Ų12167.8 Ų67.863%0.63437%0.373SS*.Hα-helixtrans-59.5-47.7176.5179.366.9000111.5G166 Y168 Y172 A174G166-L170 WeakPolarHBondContact O-CB 3.33Å; G166-L170 PolarHBondContact O-N 3.09Å; Y168-L170 PolarHBondContact O-N 3.4Å; L170-Y172 VanDerWaalsContact C-N 3.34Å; L170-A174 VanDerWaalsContact O-CB 3.29Å; L170-A174 WeakPolarHBondContact O-CB 3.4Å; L170-A174 PolarHBondContact O-N 3.01Å
171T78.6Confident77.7Confident28 Ų2867.6 Ų67.617%0.17238%0.377CS..Hα-helixtrans-68.7-37.5-179.1-50.20000110.9V167 Y168 F169 L175 M202V167-T171 VanDerWaalsContact O-CB 3.27Å; V167-T171 WeakPolarHBondContact O-CB 3.46Å; V167-T171 PolarHBondContact O-N 3.45Å; V167-T171 PolarHBondContact O-OG1 3.17Å; Y168-T171 PolarHBondContact O-N 3.3Å; F169-T171 PolarHBondContact O-N 3.49Å; T171-L175 HydrophobicContact CG2-CD1 3.82Å; T171-L175 HydrophobicContact CG2-CG 4.4Å; T171-L175 VanDerWaalsContact O-CB 3.3Å; T171-L175 WeakPolarHBondContact O-CB 3.37Å; T171-L175 VanDerWaalsContact O-CG 3.25Å; T171-L175 WeakPolarHBondContact O-CG 3.3Å; T171-L175 PolarHBondContact O-N 2.8Å; T171-M202 HydrophobicContact CG2-CB 4.13Å; T171-M202 HydrophobicContact CG2-CG 4.01Å
172Y76.3Confident77.9Confident67 Ų6772 Ų7226%0.26340%0.397SS..Hα-helixtrans-65.4-48.3177.7-176.4-96000111.9Y168 F169 L170 L175 T176 L192 A195Y168-Y172 VanDerWaalsContact O-CB 3.24Å; Y168-Y172 WeakPolarHBondContact O-CB 3.39Å; Y168-Y172 PolarHBondContact O-N 2.88Å; F169-Y172 PolarHBondContact O-N 3.14Å; L170-Y172 VanDerWaalsContact C-N 3.34Å; Y172-L175 PolarHBondContact O-N 3.39Å; Y172-T176 HydrophobicContact CD1-CG2 4.17Å; Y172-T176 HydrophobicContact CD2-CG2 4.47Å; Y172-T176 HydrophobicContact CE1-CG2 3.84Å; Y172-T176 HydrophobicContact CE2-CG2 4.15Å; Y172-T176 HydrophobicContact CG-CG2 4.48Å; Y172-T176 WeakPolarHBondContact O-CB 3.44Å; Y172-T176 VanDerWaalsContact O-CG2 3.3Å; Y172-T176 WeakPolarHBondContact O-CG2 3.35Å; Y172-T176 PolarHBondContact O-N 2.88Å; Y172-T176 PolarHBondContact O-OG1 3.49Å; Y172-L192 WeakPolarHBondContact OH-CD2 3.39Å; Y172-A195 HydrophobicContact CD2-CB 4.2Å; Y172-A195 HydrophobicContact CE2-CB 4.23Å
173D74.2Confident77.4Confident64 Ų6473.2 Ų73.234%0.34241%0.407SS..Hα-helixtrans-62.3-45.4176.8178.468.8000111.4F169 L175 T176 R177F169-D173 WeakPolarHBondContact O-CB 3.12Å; F169-D173 PolarHBondContact O-N 3.03Å; D173-L175 PolarHBondContact O-N 2.97Å; D173-T176 WeakPolarHBondContact CA-OG1 3.49Å; D173-T176 PolarHBondContact O-N 3.47Å; D173-T176 PolarHBondContact O-OG1 3.21Å; D173-T176 VanDerWaalsContact O-OG1 3.04Å; D173-R177 VanDerWaalsContact CG-NE 3.31Å; D173-R177 WeakPolarHBondContact O-CB 3.42Å; D173-R177 VanDerWaalsContact O-CG 3.29Å; D173-R177 WeakPolarHBondContact O-CG 3.32Å; D173-R177 PolarHBondContact O-N 2.84Å; D173-R177 IonicContact OD1-CZ 3.74Å; D173-R177 VanDerWaalsContact OD1-CZ 3.24Å; D173-R177 IonicContact OD1-NE 3.09Å; D173-R177 PolarHBondContact OD1-NE 2.94Å; D173-R177 IonicContact OD1-NH2 2.89Å; D173-R177 PolarHBondContact OD1-NH2 3.47Å; D173-R177 IonicContact OD2-CZ 2.85Å; D173-R177 IonicContact OD2-NE 3.38Å; D173-R177 PolarHBondContact OD2-NE 2.97Å; D173-R177 VanDerWaalsContact OD2-NE 3.1Å; D173-R177 IonicContact OD2-NH1 2.68Å; D173-R177 IonicContact OD2-NH2 3.93Å; D173-R177 PolarHBondContact OD2-NH2 3.04Å
174A80.9Confident76.8Confident54 Ų5474.1 Ų74.145%0.44643%0.427SS..Hα-helixtrans-60.4-43.4176.500000112.6L170 A178L170-A174 VanDerWaalsContact O-CB 3.29Å; L170-A174 WeakPolarHBondContact O-CB 3.4Å; L170-A174 PolarHBondContact O-N 3.01Å; A174-A178 VanDerWaalsContact O-CB 3.26Å; A174-A178 WeakPolarHBondContact O-CB 3.47Å; A174-A178 PolarHBondContact O-N 3.13Å
175L83.4Confident76.8Confident46 Ų4675.8 Ų75.824%0.24143%0.434CS..Hα-helixtrans-72.5-39.7-179.8-75.8170.3000112.8T171 Y172 D173 R177 A178 L179 A195 T198T171-L175 HydrophobicContact CG2-CD1 3.82Å; T171-L175 HydrophobicContact CG2-CG 4.4Å; T171-L175 VanDerWaalsContact O-CB 3.3Å; T171-L175 WeakPolarHBondContact O-CB 3.37Å; T171-L175 VanDerWaalsContact O-CG 3.25Å; T171-L175 WeakPolarHBondContact O-CG 3.3Å; T171-L175 PolarHBondContact O-N 2.8Å; Y172-L175 PolarHBondContact O-N 3.39Å; D173-L175 PolarHBondContact O-N 2.97Å; L175-R177 VanDerWaalsContact C-N 3.33Å; L175-R177 PolarHBondContact O-N 2.67Å; L175-A178 PolarHBondContact O-N 2.98Å; L175-L179 VanDerWaalsContact O-CB 3.25Å; L175-L179 WeakPolarHBondContact O-CB 3.41Å; L175-L179 WeakPolarHBondContact O-CG 3.3Å; L175-L179 PolarHBondContact O-N 3.26Å; L175-A195 HydrophobicContact CB-CB 3.84Å; L175-T198 HydrophobicContact CD1-CG2 3.67Å
176T79.9Confident76.8Confident23 Ų2382.2 Ų82.214%0.14146%0.455CS..Hα-helixtrans-66.4-36.3178.248.60000111.9Y172 D173 G180 C181 L192 A195Y172-T176 HydrophobicContact CD1-CG2 4.17Å; Y172-T176 HydrophobicContact CD2-CG2 4.47Å; Y172-T176 HydrophobicContact CE1-CG2 3.84Å; Y172-T176 HydrophobicContact CE2-CG2 4.15Å; Y172-T176 HydrophobicContact CG-CG2 4.48Å; Y172-T176 WeakPolarHBondContact O-CB 3.44Å; Y172-T176 VanDerWaalsContact O-CG2 3.3Å; Y172-T176 WeakPolarHBondContact O-CG2 3.35Å; Y172-T176 PolarHBondContact O-N 2.88Å; Y172-T176 PolarHBondContact O-OG1 3.49Å; D173-T176 WeakPolarHBondContact CA-OG1 3.49Å; D173-T176 PolarHBondContact O-N 3.47Å; D173-T176 PolarHBondContact O-OG1 3.21Å; D173-T176 VanDerWaalsContact O-OG1 3.04Å; T176-G180 PolarHBondContact O-N 3.45Å; T176-C181 PolarHBondContact O-N 3.43Å; T176-C181 VanDerWaalsContact O-N 3.13Å; T176-L192 HydrophobicContact CG2-CD2 4.03Å; T176-A195 HydrophobicContact CG2-CB 3.83Å
177R82.3Confident77Confident183 Ų18384.9 Ų84.969%0.69146%0.458SS*.Hα-helixtrans-67.6-45.4170.8-68.4178.3-164.4-169.85.3112.2D173 L175 L179 G180D173-R177 VanDerWaalsContact CG-NE 3.31Å; D173-R177 WeakPolarHBondContact O-CB 3.42Å; D173-R177 VanDerWaalsContact O-CG 3.29Å; D173-R177 WeakPolarHBondContact O-CG 3.32Å; D173-R177 PolarHBondContact O-N 2.84Å; D173-R177 IonicContact OD1-CZ 3.74Å; D173-R177 VanDerWaalsContact OD1-CZ 3.24Å; D173-R177 IonicContact OD1-NE 3.09Å; D173-R177 PolarHBondContact OD1-NE 2.94Å; D173-R177 IonicContact OD1-NH2 2.89Å; D173-R177 PolarHBondContact OD1-NH2 3.47Å; D173-R177 IonicContact OD2-CZ 2.85Å; D173-R177 IonicContact OD2-NE 3.38Å; D173-R177 PolarHBondContact OD2-NE 2.97Å; D173-R177 VanDerWaalsContact OD2-NE 3.1Å; D173-R177 IonicContact OD2-NH1 2.68Å; D173-R177 IonicContact OD2-NH2 3.93Å; D173-R177 PolarHBondContact OD2-NH2 3.04Å; L175-R177 VanDerWaalsContact C-N 3.33Å; L175-R177 PolarHBondContact O-N 2.67Å; R177-L179 VanDerWaalsContact C-N 3.32Å; R177-L179 PolarHBondContact O-N 2.85Å; R177-G180 PolarHBondContact O-N 2.76Å
178A85Confident76.9Confident85 Ų8585.1 Ų85.170%0.70246%0.458SS*.Hα-helixtrans-66.1-32.7179.900000113.2A174 L175A174-A178 VanDerWaalsContact O-CB 3.26Å; A174-A178 WeakPolarHBondContact O-CB 3.47Å; A174-A178 PolarHBondContact O-N 3.13Å; L175-A178 PolarHBondContact O-N 2.98Å
179L82.7Confident76.8Confident61 Ų6186.1 Ų86.132%0.31947%0.472SS..THydrogen-bonded Turntrans-85.5-7179-67.4170.3000113.4L175 R177 K191 A195L175-L179 VanDerWaalsContact O-CB 3.25Å; L175-L179 WeakPolarHBondContact O-CB 3.41Å; L175-L179 WeakPolarHBondContact O-CG 3.3Å; L175-L179 PolarHBondContact O-N 3.26Å; R177-L179 VanDerWaalsContact C-N 3.32Å; R177-L179 PolarHBondContact O-N 2.85Å; L179-K191 HydrophobicContact CB-CB 4.41Å; L179-K191 HydrophobicContact CB-CD 4.31Å; L179-K191 HydrophobicContact CB-CG 4.37Å; L179-K191 HydrophobicContact CD1-CB 4.36Å; L179-K191 WeakPolarHBondContact O-CD 3.32Å; L179-K191 VanDerWaalsContact O-CE 3.29Å; L179-K191 WeakPolarHBondContact O-CE 3.46Å; L179-K191 PolarHBondContact O-NZ 3.27Å; L179-A195 HydrophobicContact CD1-CB 4.36Å
180G78.8Confident76.8Confident33 Ų3383.9 Ų83.934%0.3447%0.469SS..THydrogen-bonded Turntrans59.356.5-177.500000111.7T176 R177 E182T176-G180 PolarHBondContact O-N 3.45Å; R177-G180 PolarHBondContact O-N 2.76Å; G180-E182 VanDerWaalsContact C-N 3.32Å; G180-E182 PolarHBondContact O-N 2.84Å
181C74Confident76.7Confident31 Ų3180.3 Ų80.321%0.20945%0.448CS..  trans-74.782.3177.4-71.80000110.7T176 L188 L192T176-C181 PolarHBondContact O-N 3.43Å; T176-C181 VanDerWaalsContact O-N 3.13Å; C181-L188 HydrophobicContact CB-CD1 3.78Å; C181-L192 HydrophobicContact CB-CD2 4.29Å
182E76.6Confident76.6Confident144 Ų14481.7 Ų81.767%0.67345%0.454SS*.  trans-96.5143.7177.4-65.6-172.311600112.4G180 G184 D185G180-E182 VanDerWaalsContact C-N 3.32Å; G180-E182 PolarHBondContact O-N 2.84Å; E182-G184 PolarHBondContact O-N 2.89Å; E182-D185 PolarHBondContact O-N 3.2Å
183P63.2Low76.5Confident131 Ų13184 Ų8485%0.85147%0.471SS*.THydrogen-bonded Turntrans-61.9109.5173.2-16.929.5000110.4
184G62.8Low76.9Confident78 Ų7886.2 Ų86.280%0.80448%0.482SS*.THydrogen-bonded Turntrans126.4-11.3-17900000114.6E182E182-G184 PolarHBondContact O-N 2.89Å
185D74.3Confident76.7Confident59 Ų5983.7 Ų83.732%0.31646%0.461SS..  trans-72.6130176.7-167.1-4.8000111.6E182 L187 L188 K191E182-D185 PolarHBondContact O-N 3.2Å; D185-L187 PolarHBondContact O-N 3.05Å; D185-L187 VanDerWaalsContact O-N 3.16Å; D185-L187 PolarHBondContact OD1-N 3.49Å; D185-L187 VanDerWaalsContact OD1-N 3.17Å; D185-L188 HydrophobicContact CB-CB 4.35Å; D185-L188 WeakPolarHBondContact O-CB 3.39Å; D185-L188 PolarHBondContact O-N 3.21Å; D185-K191 WeakPolarHBondContact OD2-CE 3.44Å; D185-K191 IonicContact OD2-NZ 2.92Å; D185-K191 PolarHBondContact OD2-NZ 3.15Å
186R72.7Confident76.2Confident245 Ų24582.3 Ų82.393%0.92546%0.458SS*.THydrogen-bonded Turntrans-58.8-26.2175.1-102.5179.9161.9-177.8-4.4112.2
187L78.1Confident76.1Confident100 Ų10083 Ų8352%0.52447%0.47SS..THydrogen-bonded Turntrans-97.59.2179.1-82.981.3000113.8D185 V189 P190 K191D185-L187 PolarHBondContact O-N 3.05Å; D185-L187 VanDerWaalsContact O-N 3.16Å; D185-L187 PolarHBondContact OD1-N 3.49Å; D185-L187 VanDerWaalsContact OD1-N 3.17Å; L187-V189 VanDerWaalsContact C-N 3.33Å; L187-V189 PolarHBondContact O-N 3.19Å; L187-P190 VanDerWaalsContact O-CD 3.27Å; L187-P190 WeakPolarHBondContact O-CD 3.23Å; L187-K191 HydrophobicContact CB-CD 4.38Å; L187-K191 HydrophobicContact CB-CG 4.4Å; L187-K191 WeakPolarHBondContact O-CB 3.4Å; L187-K191 VanDerWaalsContact O-CG 3.3Å; L187-K191 WeakPolarHBondContact O-CG 3.36Å; L187-K191 PolarHBondContact O-N 2.84Å
188L77.4Confident76Confident45 Ų4577.1 Ų77.124%0.23645%0.454CS..Hα-helixtrans-53.9-48-178.2-177.964.2000112.3C181 D185 K191 L192C181-L188 HydrophobicContact CB-CD1 3.78Å; D185-L188 HydrophobicContact CB-CB 4.35Å; D185-L188 WeakPolarHBondContact O-CB 3.39Å; D185-L188 PolarHBondContact O-N 3.21Å; L188-K191 PolarHBondContact O-N 3.16Å; L188-L192 HydrophobicContact CD1-CD1 3.96Å; L188-L192 HydrophobicContact CD1-CG 4.12Å; L188-L192 HydrophobicContact CG-CD1 3.83Å; L188-L192 HydrophobicContact CG-CG 4.37Å; L188-L192 WeakPolarHBondContact O-CB 3.47Å; L188-L192 WeakPolarHBondContact O-CG 3.29Å; L188-L192 PolarHBondContact O-N 2.92Å
189V73.8Confident75.6Confident99 Ų9973 Ų7360%0.642%0.421SS*.Hα-helixtrans-63.5-50.9-178.6175.70000112L187 K191 L192 L193L187-V189 VanDerWaalsContact C-N 3.33Å; L187-V189 PolarHBondContact O-N 3.19Å; V189-K191 PolarHBondContact O-N 3.17Å; V189-L192 PolarHBondContact O-N 2.99Å; V189-L193 HydrophobicContact CG1-CD1 4.15Å; V189-L193 WeakPolarHBondContact O-CG 3.24Å; V189-L193 PolarHBondContact O-N 3.12Å
190P77.1Confident75.2Confident65 Ų6571 Ų7142%0.42242%0.415SS..Hα-helixtrans-55.7-43.1171.7-27.732000114.6L187 L193 L194L187-P190 VanDerWaalsContact O-CD 3.27Å; L187-P190 WeakPolarHBondContact O-CD 3.23Å; P190-L193 PolarHBondContact O-N 3.47Å; P190-L194 WeakPolarHBondContact O-CG 3.44Å; P190-L194 PolarHBondContact O-N 3.28Å
191K78.3Confident75.3Confident45 Ų4573.1 Ų73.120%0.19642%0.417CS..Hα-helixtrans-64.3-42.9179.4-72.5174.8173.3-173.10111.8L179 D185 L187 L188 V189 L194 A195L179-K191 HydrophobicContact CB-CB 4.41Å; L179-K191 HydrophobicContact CB-CD 4.31Å; L179-K191 HydrophobicContact CB-CG 4.37Å; L179-K191 HydrophobicContact CD1-CB 4.36Å; L179-K191 WeakPolarHBondContact O-CD 3.32Å; L179-K191 VanDerWaalsContact O-CE 3.29Å; L179-K191 WeakPolarHBondContact O-CE 3.46Å; L179-K191 PolarHBondContact O-NZ 3.27Å; D185-K191 WeakPolarHBondContact OD2-CE 3.44Å; D185-K191 IonicContact OD2-NZ 2.92Å; D185-K191 PolarHBondContact OD2-NZ 3.15Å; L187-K191 HydrophobicContact CB-CD 4.38Å; L187-K191 HydrophobicContact CB-CG 4.4Å; L187-K191 WeakPolarHBondContact O-CB 3.4Å; L187-K191 VanDerWaalsContact O-CG 3.3Å; L187-K191 WeakPolarHBondContact O-CG 3.36Å; L187-K191 PolarHBondContact O-N 2.84Å; L188-K191 PolarHBondContact O-N 3.16Å; V189-K191 PolarHBondContact O-N 3.17Å; K191-L194 PolarHBondContact O-N 3.02Å; K191-A195 WeakPolarHBondContact O-CB 3.37Å; K191-A195 PolarHBondContact O-N 3.45Å
192L77.1Confident75.7Confident57 Ų5775.3 Ų75.330%0.29843%0.425SS..Hα-helixtrans-65.3-38.8175.7-69.6172.5000112.1Y172 T176 C181 L188 V189 A195 G196Y172-L192 WeakPolarHBondContact OH-CD2 3.39Å; T176-L192 HydrophobicContact CG2-CD2 4.03Å; C181-L192 HydrophobicContact CB-CD2 4.29Å; L188-L192 HydrophobicContact CD1-CD1 3.96Å; L188-L192 HydrophobicContact CD1-CG 4.12Å; L188-L192 HydrophobicContact CG-CD1 3.83Å; L188-L192 HydrophobicContact CG-CG 4.37Å; L188-L192 WeakPolarHBondContact O-CB 3.47Å; L188-L192 WeakPolarHBondContact O-CG 3.29Å; L188-L192 PolarHBondContact O-N 2.92Å; V189-L192 PolarHBondContact O-N 2.99Å; L192-A195 PolarHBondContact O-N 2.84Å; L192-G196 PolarHBondContact O-N 2.66Å
193L74.5Confident75.9Confident116 Ų11668.7 Ų68.761%0.60740%0.395SS*.Hα-helixtrans-64.6-41.8175-74172.8000111.9V189 P190 G197V189-L193 HydrophobicContact CG1-CD1 4.15Å; V189-L193 WeakPolarHBondContact O-CG 3.24Å; V189-L193 PolarHBondContact O-N 3.12Å; P190-L193 PolarHBondContact O-N 3.47Å; L193-G197 PolarHBondContact O-N 3.36Å
194L81.1Confident76.7Confident111 Ų11166.5 Ų66.558%0.58137%0.37SS*.Hα-helixtrans-65.2-44.6174.8-73.4171.4000111.7P190 K191 G197 T198P190-L194 WeakPolarHBondContact O-CG 3.44Å; P190-L194 PolarHBondContact O-N 3.28Å; K191-L194 PolarHBondContact O-N 3.02Å; L194-G197 PolarHBondContact O-N 2.96Å; L194-T198 WeakPolarHBondContact O-CB 3.45Å; L194-T198 PolarHBondContact O-N 3.14Å; L194-T198 PolarHBondContact O-OG1 3.07Å
195A76.9Confident77.8Confident0 Ų066.4 Ų66.40%035%0.35CS..Hα-helixtrans-62.2-45176.700000111.8Y172 L175 T176 L179 K191 L192 S199Y172-A195 HydrophobicContact CD2-CB 4.2Å; Y172-A195 HydrophobicContact CE2-CB 4.23Å; L175-A195 HydrophobicContact CB-CB 3.84Å; T176-A195 HydrophobicContact CG2-CB 3.83Å; L179-A195 HydrophobicContact CD1-CB 4.36Å; K191-A195 WeakPolarHBondContact O-CB 3.37Å; K191-A195 PolarHBondContact O-N 3.45Å; L192-A195 PolarHBondContact O-N 2.84Å; A195-S199 VanDerWaalsContact O-CB 3.25Å; A195-S199 WeakPolarHBondContact O-CB 3.43Å; A195-S199 PolarHBondContact O-N 3.29Å; A195-S199 PolarHBondContact O-OG 3.2Å
196G74.6Confident78.2Confident17 Ų1766.2 Ų66.218%0.17535%0.354CS..Hα-helixtrans-65.7-41176.600000113.6L192 S199 G200L192-G196 PolarHBondContact O-N 2.66Å; G196-S199 WeakPolarHBondContact CA-OG 2.92Å; G196-S199 PolarHBondContact O-OG 3.25Å; G196-G200 PolarHBondContact O-N 2.8Å
197G76.4Confident78.7Confident39 Ų3954.6 Ų54.640%0.40231%0.31SS..Hα-helixtrans-66.3-49177.500000112.3L193 L194 G200 I201L193-G197 PolarHBondContact O-N 3.36Å; L194-G197 PolarHBondContact O-N 2.96Å; G197-G200 PolarHBondContact O-N 3.3Å; G197-I201 WeakPolarHBondContact O-CG1 3.34Å; G197-I201 PolarHBondContact O-N 2.81Å
198T81.2Confident78.9Confident58 Ų5850 Ų5036%0.35629%0.286SS..Hα-helixtrans-67.5-40.2-179.4-57.50000111.9L175 L194 G200 I201 M202L175-T198 HydrophobicContact CD1-CG2 3.67Å; L194-T198 WeakPolarHBondContact O-CB 3.45Å; L194-T198 PolarHBondContact O-N 3.14Å; L194-T198 PolarHBondContact O-OG1 3.07Å; T198-G200 VanDerWaalsContact C-N 3.34Å; T198-G200 PolarHBondContact O-N 3.34Å; T198-I201 PolarHBondContact O-N 3.34Å; T198-M202 WeakPolarHBondContact O-CG 3.38Å; T198-M202 PolarHBondContact O-N 3.11Å
199S75Confident79.3Confident0 Ų050.4 Ų50.40%029%0.291CS..Hα-helixtrans-62.3-39.6173.453.50000112.4Y168 A195 G196 M202 S203Y168-S199 WeakPolarHBondContact CE2-OG 3.39Å; Y168-S199 WeakPolarHBondContact O-CB 3.3Å; A195-S199 VanDerWaalsContact O-CB 3.25Å; A195-S199 WeakPolarHBondContact O-CB 3.43Å; A195-S199 PolarHBondContact O-N 3.29Å; A195-S199 PolarHBondContact O-OG 3.2Å; G196-S199 WeakPolarHBondContact CA-OG 2.92Å; G196-S199 PolarHBondContact O-OG 3.25Å; S199-M202 PolarHBondContact O-N 3.44Å; S199-S203 VanDerWaalsContact O-CB 3.25Å; S199-S203 WeakPolarHBondContact O-CB 3.22Å; S199-S203 PolarHBondContact O-N 2.96Å
200G75.3Confident79.8Confident19 Ų1947.5 Ų47.520%0.19627%0.273CS..Hα-helixtrans-59.8-44.9172.200000112.9G196 G197 T198 S203 W204G196-G200 PolarHBondContact O-N 2.8Å; G197-G200 PolarHBondContact O-N 3.3Å; T198-G200 VanDerWaalsContact C-N 3.34Å; T198-G200 PolarHBondContact O-N 3.34Å; G200-S203 PolarHBondContact O-N 2.85Å; G200-W204 VanDerWaalsContact O-CD1 3.28Å; G200-W204 PolarHBondContact O-N 2.96Å
201I81.1Confident80Confident76 Ų7644.6 Ų44.639%0.3926%0.255SS..Hα-helixtrans-64.2-44.6177.9-65.4167.5000111G197 T198 W204 L205 L255G197-I201 WeakPolarHBondContact O-CG1 3.34Å; G197-I201 PolarHBondContact O-N 2.81Å; T198-I201 PolarHBondContact O-N 3.34Å; I201-W204 PolarHBondContact O-N 3.36Å; I201-L205 HydrophobicContact CG2-CD1 3.88Å; I201-L205 HydrophobicContact CG2-CG 4.41Å; I201-L205 WeakPolarHBondContact O-CB 3.39Å; I201-L205 WeakPolarHBondContact O-CG 3.46Å; I201-L205 PolarHBondContact O-N 2.67Å; I201-L255 HydrophobicContact CB-CD2 4.49Å; I201-L255 HydrophobicContact CG1-CD2 4.25Å; I201-L255 HydrophobicContact CG2-CD2 4.1Å
202M82.3Confident80.1Confident78 Ų7842.7 Ų42.738%0.38425%0.247SC..Hα-helixtrans-65.9-40.4178.8-70.9-55.5124.400112.5V167 T171 T198 S199 L205 S206V167-M202 HydrophobicContact CG1-CB 4.24Å; T171-M202 HydrophobicContact CG2-CB 4.13Å; T171-M202 HydrophobicContact CG2-CG 4.01Å; T198-M202 WeakPolarHBondContact O-CG 3.38Å; T198-M202 PolarHBondContact O-N 3.11Å; S199-M202 PolarHBondContact O-N 3.44Å; M202-L205 HydrophobicContact CE-CD1 3.55Å; M202-L205 PolarHBondContact O-N 2.92Å; M202-L205 HydrophobicContact SD-CD1 3.94Å; M202-S206 WeakPolarHBondContact O-CB 3.33Å; M202-S206 PolarHBondContact O-N 3.48Å; M202-S206 PolarHBondContact O-OG 3.25Å
203S81.1Confident80.5Confident5 Ų540.2 Ų40.24%0.03523%0.234CC..Hα-helixtrans-59.1-48.5173.4175.20000111.2S164 S199 G200 L205 S206 T207S164-S203 PolarHBondContact O-OG 3.46Å; S164-S203 PolarHBondContact OG-OG 3.26Å; S199-S203 VanDerWaalsContact O-CB 3.25Å; S199-S203 WeakPolarHBondContact O-CB 3.22Å; S199-S203 PolarHBondContact O-N 2.96Å; G200-S203 PolarHBondContact O-N 2.85Å; S203-L205 PolarHBondContact O-N 3.41Å; S203-S206 PolarHBondContact O-N 3.31Å; S203-S206 PolarHBondContact O-OG 2.99Å; S203-T207 PolarHBondContact O-N 2.87Å; S203-T207 VanDerWaalsContact O-N 3.15Å; S203-T207 PolarHBondContact O-OG1 2.87Å
204W79.9Confident80.8Confident85 Ų8535 Ų3532%0.32221%0.206SC..Hα-helixtrans-61.6-44.7175.1-87.1107.9000112.6G200 I201 S206 T207 Y208 T254 L255G200-W204 VanDerWaalsContact O-CD1 3.28Å; G200-W204 PolarHBondContact O-N 2.96Å; I201-W204 PolarHBondContact O-N 3.36Å; W204-S206 VanDerWaalsContact C-N 3.32Å; W204-S206 PolarHBondContact O-N 3.39Å; W204-T207 PolarHBondContact O-N 2.83Å; W204-Y208 HydrophobicContact CE3-CD2 4.39Å; W204-Y208 WeakPolarHBondContact O-CA 3.41Å; W204-Y208 WeakPolarHBondContact O-CB 3.34Å; W204-Y208 PolarHBondContact O-N 3.45Å; W204-T254 HydrophobicContact CD2-CG2 3.9Å; W204-T254 HydrophobicContact CE3-CG2 3.79Å; W204-T254 HydrophobicContact CH2-CG2 4.13Å; W204-T254 HydrophobicContact CZ2-CG2 4.23Å; W204-T254 HydrophobicContact CZ3-CG2 3.91Å; W204-L255 HydrophobicContact CB-CD2 4.49Å
205L84.9Confident80.5Confident75 Ų7530.5 Ų30.539%0.39318%0.184SC..Hα-helixtrans-58.2-43178.2-80.3166.4000112.4I201 M202 S203 L251I201-L205 HydrophobicContact CG2-CD1 3.88Å; I201-L205 HydrophobicContact CG2-CG 4.41Å; I201-L205 WeakPolarHBondContact O-CB 3.39Å; I201-L205 WeakPolarHBondContact O-CG 3.46Å; I201-L205 PolarHBondContact O-N 2.67Å; M202-L205 HydrophobicContact CE-CD1 3.55Å; M202-L205 PolarHBondContact O-N 2.92Å; M202-L205 HydrophobicContact SD-CD1 3.94Å; S203-L205 PolarHBondContact O-N 3.41Å; L205-L251 HydrophobicContact CD2-CD1 4.42Å; L205-L251 HydrophobicContact CD2-CD2 3.63Å
206S83.6Confident80.6Confident55 Ų5531.9 Ų31.939%0.38519%0.189SC..Hα-helixtrans-68.3-36.5-178.971.70000112.9M202 S203 W204M202-S206 WeakPolarHBondContact O-CB 3.33Å; M202-S206 PolarHBondContact O-N 3.48Å; M202-S206 PolarHBondContact O-OG 3.25Å; S203-S206 PolarHBondContact O-N 3.31Å; S203-S206 PolarHBondContact O-OG 2.99Å; W204-S206 VanDerWaalsContact C-N 3.32Å; W204-S206 PolarHBondContact O-N 3.39Å
207T82.9Confident80.8Confident2 Ų231.6 Ų31.61%0.01218%0.184CC..Hα-helixtrans-98.8-9.3-172.9590000113.9P163 S203 W204 P209 V210 D211P163-T207 HydrophobicContact CB-CG2 4.24Å; S203-T207 PolarHBondContact O-N 2.87Å; S203-T207 VanDerWaalsContact O-N 3.15Å; S203-T207 PolarHBondContact O-OG1 2.87Å; W204-T207 PolarHBondContact O-N 2.83Å; T207-P209 VanDerWaalsContact C-CD 3.43Å; T207-V210 WeakPolarHBondContact O-CB 3.2Å; T207-V210 PolarHBondContact O-N 2.97Å; T207-D211 PolarHBondContact O-N 3.33Å
208Y83.1Confident80.6Confident3 Ų330 Ų301%0.01217%0.165CC..Hα-helixtrans-54.6-40.6-178.4-156.7-107.1000114.3Q30 W204 V210 D211 V212 F247 R249 G250 L251Q30-Y208 PolarHBondContact NE2-OH 3.37Å; W204-Y208 HydrophobicContact CE3-CD2 4.39Å; W204-Y208 WeakPolarHBondContact O-CA 3.41Å; W204-Y208 WeakPolarHBondContact O-CB 3.34Å; W204-Y208 PolarHBondContact O-N 3.45Å; Y208-V210 VanDerWaalsContact C-N 3.29Å; Y208-V210 PolarHBondContact O-N 3.27Å; Y208-D211 WeakPolarHBondContact O-CB 3.27Å; Y208-D211 PolarHBondContact O-N 3.13Å; Y208-D211 VanDerWaalsContact O-N 3.14Å; Y208-V212 HydrophobicContact CD1-CG2 4.14Å; Y208-V212 HydrophobicContact CE1-CG2 3.7Å; Y208-V212 PolarHBondContact O-N 3.27Å; Y208-F247 WeakPolarHBondContact CD1-O 3.22Å; Y208-F247 WeakPolarHBondContact CE1-O 3.2Å; Y208-R249 PolarHBondContact OH-O 3.14Å; Y208-G250 VanDerWaalsContact OH-CA 3.24Å; Y208-G250 WeakPolarHBondContact OH-CA 3.05Å; Y208-G250 PolarHBondContact OH-O 3.42Å; Y208-L251 HydrophobicContact CD1-CB 3.89Å; Y208-L251 HydrophobicContact CD1-CD1 4.11Å; Y208-L251 HydrophobicContact CD1-CG 4.45Å; Y208-L251 HydrophobicContact CD2-CB 4.46Å; Y208-L251 HydrophobicContact CD2-CD1 3.68Å; Y208-L251 HydrophobicContact CE1-CB 3.67Å; Y208-L251 HydrophobicContact CE2-CB 4.22Å; Y208-L251 HydrophobicContact CE2-CD1 4.11Å; Y208-L251 HydrophobicContact CG-CB 4.35Å; Y208-L251 HydrophobicContact CG-CD1 3.73Å; Y208-L251 VanDerWaalsContact CZ-CA 3.45Å; Y208-L251 VanDerWaalsContact CZ-N 3.27Å; Y208-L251 PolarHBondContact OH-N 3.23Å
209P84.7Confident80.1Confident53 Ų5328 Ų2834%0.34416%0.156SC..Hα-helixtrans-59.8-39.3176.1-24.735.6000112.9T207 D211 V212 V213 F247T207-P209 VanDerWaalsContact C-CD 3.43Å; P209-D211 VanDerWaalsContact C-N 3.34Å; P209-V212 PolarHBondContact O-N 3.41Å; P209-V213 WeakPolarHBondContact O-CG2 3.42Å; P209-V213 PolarHBondContact O-N 3.38Å; P209-F247 HydrophobicContact CB-CB 4.16Å; P209-F247 HydrophobicContact CB-CD1 4.17Å; P209-F247 HydrophobicContact CB-CG 4.39Å; P209-F247 HydrophobicContact CG-CB 4.46Å
210V84.1Confident80.1Confident38 Ų3828.6 Ų28.623%0.2316%0.159CC..Hα-helixtrans-68.6-37.5177.5-1740000110.4R160 T207 Y208 V213 K214R160-V210 HydrophobicContact CB-CB 4.44Å; R160-V210 HydrophobicContact CB-CG1 3.91Å; T207-V210 WeakPolarHBondContact O-CB 3.2Å; T207-V210 PolarHBondContact O-N 2.97Å; Y208-V210 VanDerWaalsContact C-N 3.29Å; Y208-V210 PolarHBondContact O-N 3.27Å; V210-V213 PolarHBondContact O-N 3.28Å; V210-K214 WeakPolarHBondContact O-CB 3.46Å; V210-K214 PolarHBondContact O-N 2.93Å
211D82.2Confident79.7Confident5 Ų528.8 Ų28.83%0.02716%0.16CC..Hα-helixtrans-63.1-41.7176-163.872.3000112K26 R160 T207 Y208 P209 V213 K214 S215K26-D211 WeakPolarHBondContact CE-OD2 3.33Å; K26-D211 IonicContact NZ-OD2 3.89Å; K26-D211 PolarHBondContact NZ-OD2 3.06Å; R160-D211 IonicContact CZ-OD1 3.77Å; R160-D211 IonicContact NH1-OD1 2.77Å; R160-D211 PolarHBondContact NH1-OD1 3.3Å; T207-D211 PolarHBondContact O-N 3.33Å; Y208-D211 WeakPolarHBondContact O-CB 3.27Å; Y208-D211 PolarHBondContact O-N 3.13Å; Y208-D211 VanDerWaalsContact O-N 3.14Å; P209-D211 VanDerWaalsContact C-N 3.34Å; D211-V213 PolarHBondContact O-N 2.97Å; D211-K214 WeakPolarHBondContact O-CB 3.13Å; D211-K214 PolarHBondContact O-N 2.93Å; D211-S215 PolarHBondContact O-N 3.46Å; D211-S215 PolarHBondContact O-OG 3.34Å
212V81Confident78.9Confident5 Ų527 Ų273%0.0315%0.151CC..Hα-helixtrans-62.5-42.7174.4174.10000111.4Y208 P209 S215 R216Y208-V212 HydrophobicContact CD1-CG2 4.14Å; Y208-V212 HydrophobicContact CE1-CG2 3.7Å; Y208-V212 PolarHBondContact O-N 3.27Å; P209-V212 PolarHBondContact O-N 3.41Å; V212-S215 PolarHBondContact O-N 3.36Å; V212-R216 WeakPolarHBondContact O-CG 3.34Å; V212-R216 PolarHBondContact O-N 2.9Å
213V83.7Confident77.9Confident4 Ų430.9 Ų30.92%0.02416%0.162CC..Hα-helixtrans-65.5-42.5178176.10000111P209 V210 D211 R216 L217 I231 C234 V235 F247P209-V213 WeakPolarHBondContact O-CG2 3.42Å; P209-V213 PolarHBondContact O-N 3.38Å; V210-V213 PolarHBondContact O-N 3.28Å; D211-V213 PolarHBondContact O-N 2.97Å; V213-R216 PolarHBondContact O-N 3.34Å; V213-L217 HydrophobicContact CG1-CD1 3.91Å; V213-L217 HydrophobicContact CG1-CG 4.4Å; V213-L217 WeakPolarHBondContact O-CB 3.18Å; V213-L217 WeakPolarHBondContact O-CG 3.23Å; V213-L217 PolarHBondContact O-N 2.87Å; V213-I231 HydrophobicContact CG1-CG2 3.91Å; V213-C234 HydrophobicContact CG1-CB 4.22Å; V213-V235 HydrophobicContact CG1-CG2 4.26Å; V213-V235 HydrophobicContact CG2-CG2 3.58Å; V213-F247 HydrophobicContact CG2-CD1 4.49Å; V213-F247 HydrophobicContact CG2-CE1 3.94Å
214K81.8Confident77.1Confident6 Ų632.9 Ų32.93%0.02618%0.183CC..Hα-helixtrans-55.7-53.2173.2173.5-178168169.70110.8E114 T157 V210 D211 R216 L217 Q218E114-K214 IonicContact OE2-NZ 2.78Å; E114-K214 PolarHBondContact OE2-NZ 3.35Å; T157-K214 VanDerWaalsContact OG1-CE 3.24Å; T157-K214 WeakPolarHBondContact OG1-CE 3.18Å; T157-K214 PolarHBondContact OG1-NZ 3.44Å; V210-K214 WeakPolarHBondContact O-CB 3.46Å; V210-K214 PolarHBondContact O-N 2.93Å; D211-K214 WeakPolarHBondContact O-CB 3.13Å; D211-K214 PolarHBondContact O-N 2.93Å; K214-R216 VanDerWaalsContact C-N 3.3Å; K214-R216 PolarHBondContact O-N 3.47Å; K214-L217 PolarHBondContact O-N 3.48Å; K214-Q218 HydrophobicContact CG-CG 4.41Å; K214-Q218 WeakPolarHBondContact O-CB 3.19Å; K214-Q218 WeakPolarHBondContact O-CG 3.29Å; K214-Q218 PolarHBondContact O-N 3.01Å
215S75.6Confident76.6Confident17 Ų1733.1 Ų33.112%0.11920%0.204CC..Hα-helixtrans-58.4-40.9-179.8-67.40000112.3Q30 D211 V212 Q218 A219Q30-S215 VanDerWaalsContact OE1-CB 3.27Å; Q30-S215 PolarHBondContact OE1-OG 2.94Å; D211-S215 PolarHBondContact O-N 3.46Å; D211-S215 PolarHBondContact O-OG 3.34Å; V212-S215 PolarHBondContact O-N 3.36Å; S215-Q218 PolarHBondContact O-N 3.38Å; S215-A219 VanDerWaalsContact O-CB 3.32Å; S215-A219 WeakPolarHBondContact O-CB 3.46Å; S215-A219 PolarHBondContact O-N 3.16Å
216R79Confident76Confident29 Ų2933.5 Ų33.511%0.10921%0.21CC..Hα-helixtrans-66.2-42.3177.6-75.3-178.8175.4-129.8-18.7112.8V212 V213 K214 A219 D220 Y228 S238 E242V212-R216 WeakPolarHBondContact O-CG 3.34Å; V212-R216 PolarHBondContact O-N 2.9Å; V213-R216 PolarHBondContact O-N 3.34Å; K214-R216 VanDerWaalsContact C-N 3.3Å; K214-R216 PolarHBondContact O-N 3.47Å; R216-A219 PolarHBondContact O-N 2.91Å; R216-D220 PolarHBondContact O-N 3.05Å; R216-Y228 HydrophobicContact CB-CE2 4.36Å; R216-S238 WeakPolarHBondContact CD-OG 3.32Å; R216-S238 VanDerWaalsContact NH1-CB 3.32Å; R216-S238 PolarHBondContact NH1-OG 2.87Å; R216-E242 IonicContact CZ-OE1 3.27Å; R216-E242 IonicContact NH1-OE1 2.7Å; R216-E242 PolarHBondContact NH1-OE1 3.38Å; R216-E242 IonicContact NH2-OE1 2.95Å; R216-E242 PolarHBondContact NH2-OE1 2.95Å; R216-E242 IonicContact NH2-OE2 3.17Å; R216-E242 PolarHBondContact NH2-OE2 3.33Å
217L79.1Confident75.6Confident11 Ų1139.4 Ų39.46%0.05822%0.224CC..Hα-helixtrans-66.9-36.6176.5-73.1170.6000112.3V213 K214 A219 D220 Y228 I231 C234V213-L217 HydrophobicContact CG1-CD1 3.91Å; V213-L217 HydrophobicContact CG1-CG 4.4Å; V213-L217 WeakPolarHBondContact O-CB 3.18Å; V213-L217 WeakPolarHBondContact O-CG 3.23Å; V213-L217 PolarHBondContact O-N 2.87Å; K214-L217 PolarHBondContact O-N 3.48Å; L217-A219 VanDerWaalsContact C-N 3.34Å; L217-D220 WeakPolarHBondContact O-CB 3.21Å; L217-D220 PolarHBondContact O-N 3.17Å; L217-Y228 HydrophobicContact CD2-CD2 4.32Å; L217-Y228 HydrophobicContact CD2-CG 4.37Å; L217-I231 HydrophobicContact CD1-CB 4.41Å; L217-I231 HydrophobicContact CD1-CG1 3.67Å; L217-C234 HydrophobicContact CD2-CB 3.91Å; L217-C234 HydrophobicContact CG-CB 4.2Å
218Q71.8Confident75.4Confident5 Ų541.1 Ų41.12%0.02323%0.231CC..Hα-helixtrans-71.9-27.7175.4-72.6-175.6-32.300112.5L115 T118 R119 K214 S215L115-Q218 HydrophobicContact CD1-CB 3.94Å; L115-Q218 HydrophobicContact CD1-CG 4.05Å; T118-Q218 HydrophobicContact CG2-CB 4.26Å; R119-Q218 PolarHBondContact NE-O 3.13Å; R119-Q218 VanDerWaalsContact NE-O 3.09Å; R119-Q218 PolarHBondContact NH2-O 3.33Å; K214-Q218 HydrophobicContact CG-CG 4.41Å; K214-Q218 WeakPolarHBondContact O-CB 3.19Å; K214-Q218 WeakPolarHBondContact O-CG 3.29Å; K214-Q218 PolarHBondContact O-N 3.01Å; S215-Q218 PolarHBondContact O-N 3.38Å
219A70.5Confident75.1Confident18 Ų1852.5 Ų52.515%0.14927%0.274CS..Hα-helixtrans-81.9-18.3173.500000113.6V31 R119 L122 S215 R216 L217 L222V31-A219 HydrophobicContact CG2-CB 4.2Å; R119-A219 PolarHBondContact NH1-O 3.42Å; L122-A219 HydrophobicContact CD1-CB 3.55Å; S215-A219 VanDerWaalsContact O-CB 3.32Å; S215-A219 WeakPolarHBondContact O-CB 3.46Å; S215-A219 PolarHBondContact O-N 3.16Å; R216-A219 PolarHBondContact O-N 2.91Å; L217-A219 VanDerWaalsContact C-N 3.34Å; A219-L222 VanDerWaalsContact O-CB 3.31Å; A219-L222 WeakPolarHBondContact O-CB 3.16Å; A219-L222 PolarHBondContact O-N 3.33Å
220D74.4Confident74.9Confident12 Ų1251.3 Ų51.36%0.06427%0.271CS..THydrogen-bonded Turntrans-65.6139-174.7-169.626000112.3R119 R152 R216 L217 L222 R227 Y228R119-D220 PolarHBondContact NH1-O 3.16Å; R119-D220 PolarHBondContact NH2-O 3.42Å; R152-D220 IonicContact CZ-OD2 3Å; R152-D220 IonicContact NH2-OD2 3.57Å; R152-D220 PolarHBondContact NH2-OD2 3.34Å; R216-D220 PolarHBondContact O-N 3.05Å; L217-D220 WeakPolarHBondContact O-CB 3.21Å; L217-D220 PolarHBondContact O-N 3.17Å; D220-L222 VanDerWaalsContact C-N 3.33Å; D220-R227 WeakPolarHBondContact OD1-CB 3.13Å; D220-R227 PolarHBondContact OD1-N 2.94Å; D220-R227 PolarHBondContact OD2-N 3.3Å; D220-Y228 HydrophobicContact CB-CD2 3.82Å; D220-Y228 HydrophobicContact CB-CE2 4.36Å; D220-Y228 PolarHBondContact OD2-N 3.4Å
221G67.2Low74.8Confident22 Ų2252 Ų5223%0.22727%0.273CS..THydrogen-bonded Turntrans83.2-2-174.500000115.5G224G221-G224 CarbonylContact C-O 3.48Å; G221-G224 VanDerWaalsContact CA-O 3.3Å; G221-G224 WeakPolarHBondContact CA-O 3.41Å
222L64.3Low74.9Confident38 Ų3859 Ų5920%0.19931%0.309CS..THydrogen-bonded Turntrans-74.9-33.1176.4-158.390.9000112.1R119 L122 Y131 A219 D220R119-L222 HydrophobicContact CB-CD1 3.91Å; R119-L222 HydrophobicContact CG-CD1 4.13Å; L122-L222 HydrophobicContact CB-CD2 3.61Å; Y131-L222 HydrophobicContact CE2-CD1 3.83Å; A219-L222 VanDerWaalsContact O-CB 3.31Å; A219-L222 WeakPolarHBondContact O-CB 3.16Å; A219-L222 PolarHBondContact O-N 3.33Å; D220-L222 VanDerWaalsContact C-N 3.33Å
223R61Low75.2Confident160 Ų16060.9 Ų60.960%0.60432%0.319SS*.THydrogen-bonded Turntrans-107.622.3-173.8-69.7-175.3167.7150.4-2112.7V31V31-R223 PolarHBondContact O-NH1 3.16Å
224G65.1Low75.2Confident48 Ų4860.7 Ų60.750%0.49532%0.318SS..SBendtrans131.6-149.6-178.500000112.8G221G221-G224 CarbonylContact C-O 3.48Å; G221-G224 VanDerWaalsContact CA-O 3.3Å; G221-G224 WeakPolarHBondContact CA-O 3.41Å
225A69Low75.4Confident90 Ų9063 Ų6374%0.74433%0.333SS*.SBendtrans-61.3145.6-178.500000112.3R227A225-R227 PolarHBondContact O-N 2.99Å
226P72Confident76Confident82 Ų8269.2 Ų69.253%0.53235%0.354SS..  trans-59.5125.3177.924-33.1000110.7
227R74.6Confident76.3Confident180 Ų18070.9 Ų70.968%0.67936%0.362SS*.  trans-92.1-23.2-174.6-160.6172.1-176.31682.1112.7D220 A225 Q237D220-R227 WeakPolarHBondContact OD1-CB 3.13Å; D220-R227 PolarHBondContact OD1-N 2.94Å; D220-R227 PolarHBondContact OD2-N 3.3Å; A225-R227 PolarHBondContact O-N 2.99Å; R227-Q237 PolarHBondContact O-NE2 3.41Å
228Y79.5Confident76.6Confident37 Ų3770.4 Ų70.415%0.14536%0.36CS..  trans-112.6130.2-178.1-52.9-61.1000111.6R216 L217 D220 C234 Q237R216-Y228 HydrophobicContact CB-CE2 4.36Å; L217-Y228 HydrophobicContact CD2-CD2 4.32Å; L217-Y228 HydrophobicContact CD2-CG 4.37Å; D220-Y228 HydrophobicContact CB-CD2 3.82Å; D220-Y228 HydrophobicContact CB-CE2 4.36Å; D220-Y228 PolarHBondContact OD2-N 3.4Å; Y228-C234 HydrophobicContact CD1-CB 3.85Å; Y228-C234 HydrophobicContact CD2-CB 4.35Å; Y228-C234 HydrophobicContact CE1-CB 4.32Å; Y228-C234 HydrophobicContact CG-CB 3.85Å; Y228-Q237 HydrophobicContact CD1-CB 4.5Å; Y228-Q237 HydrophobicContact CE1-CB 4.04Å
229R76.7Confident77.3Confident243 Ų24376.6 Ų76.692%0.91738%0.384SS*.SBendtrans-83.1-13.6174.2-68.5-176.1172.1-168.3-2.1113.4D233R229-D233 PolarHBondContact N-OD2 2.98Å
230G80.3Confident78Confident28 Ų2884.3 Ų84.329%0.28941%0.409SS..SBendtrans172.9-173.9178.900000113.5D233 C234G230-D233 PolarHBondContact O-N 3Å; G230-C234 WeakPolarHBondContact O-CB 3.48Å; G230-C234 PolarHBondContact O-N 3.32Å
231I83.1Confident78.5Confident52 Ų5287.4 Ų87.427%0.26744%0.437SS..Hα-helixtrans-60.2-50.6-176.8-62.2170.3000111.4V155 V213 L217 D233 C234 V235V155-I231 HydrophobicContact CB-CD1 4.5Å; V155-I231 HydrophobicContact CG1-CD1 4.09Å; V213-I231 HydrophobicContact CG1-CG2 3.91Å; L217-I231 HydrophobicContact CD1-CB 4.41Å; L217-I231 HydrophobicContact CD1-CG1 3.67Å; I231-D233 VanDerWaalsContact C-N 3.34Å; I231-D233 PolarHBondContact O-N 3.45Å; I231-C234 WeakPolarHBondContact O-CB 3.39Å; I231-C234 PolarHBondContact O-N 2.84Å; I231-V235 WeakPolarHBondContact O-CG2 3.41Å; I231-V235 PolarHBondContact O-N 3.1Å
232L84.3Confident79Confident152 Ų15288.4 Ų88.480%0.79644%0.435SS*.Hα-helixtrans-62.6-39.4-179-78.2154.8000112.6V235 R236L232-V235 PolarHBondContact O-N 3.2Å; L232-R236 WeakPolarHBondContact O-CB 3.21Å; L232-R236 PolarHBondContact O-N 3.25Å
233D85.6Confident80Confident45 Ų4587.8 Ų87.824%0.24144%0.439CS..Hα-helixtrans-68.2-41.7177.1-174.333.7000111R229 G230 I231 V235 R236 Q237R229-D233 PolarHBondContact N-OD2 2.98Å; G230-D233 PolarHBondContact O-N 3Å; I231-D233 VanDerWaalsContact C-N 3.34Å; I231-D233 PolarHBondContact O-N 3.45Å; D233-V235 PolarHBondContact O-N 3.25Å; D233-R236 PolarHBondContact O-N 2.97Å; D233-Q237 WeakPolarHBondContact O-CB 3.18Å; D233-Q237 WeakPolarHBondContact O-CG 3.34Å; D233-Q237 PolarHBondContact O-N 3.43Å; D233-Q237 PolarHBondContact OD1-NE2 2.99Å; D233-Q237 PolarHBondContact OD2-NE2 2.87Å
234C84.1Confident81Confident0 Ų087.9 Ų87.90%044%0.439CS..Hα-helixtrans-59.5-44.9172.7-177.30000112.1V213 L217 Y228 G230 I231 S238V213-C234 HydrophobicContact CG1-CB 4.22Å; L217-C234 HydrophobicContact CD2-CB 3.91Å; L217-C234 HydrophobicContact CG-CB 4.2Å; Y228-C234 HydrophobicContact CD1-CB 3.85Å; Y228-C234 HydrophobicContact CD2-CB 4.35Å; Y228-C234 HydrophobicContact CE1-CB 4.32Å; Y228-C234 HydrophobicContact CG-CB 3.85Å; G230-C234 WeakPolarHBondContact O-CB 3.48Å; G230-C234 PolarHBondContact O-N 3.32Å; I231-C234 WeakPolarHBondContact O-CB 3.39Å; I231-C234 PolarHBondContact O-N 2.84Å; C234-S238 WeakPolarHBondContact O-CB 3.32Å; C234-S238 PolarHBondContact O-N 3.49Å; C234-S238 PolarHBondContact O-OG 2.93Å
235V86.4Confident81.7Confident55 Ų5594.1 Ų94.133%0.33345%0.448SS..Hα-helixtrans-61-49.9176.4170.70000110.6V213 I231 L232 D233 S238 Y239 F247V213-V235 HydrophobicContact CG1-CG2 4.26Å; V213-V235 HydrophobicContact CG2-CG2 3.58Å; I231-V235 WeakPolarHBondContact O-CG2 3.41Å; I231-V235 PolarHBondContact O-N 3.1Å; L232-V235 PolarHBondContact O-N 3.2Å; D233-V235 PolarHBondContact O-N 3.25Å; V235-S238 PolarHBondContact O-N 2.92Å; V235-Y239 WeakPolarHBondContact O-CB 3.45Å; V235-Y239 PolarHBondContact O-N 3.43Å; V235-F247 HydrophobicContact CG1-CZ 4.14Å
236R88.2Confident82.2Confident147 Ų14790 Ų9056%0.55541%0.413SS*.Hα-helixtrans-64-46.3-176.8-172-178-174.8-175.24112.2L232 D233 R240L232-R236 WeakPolarHBondContact O-CB 3.21Å; L232-R236 PolarHBondContact O-N 3.25Å; D233-R236 PolarHBondContact O-N 2.97Å; R236-R240 WeakPolarHBondContact O-CB 3.47Å; R236-R240 WeakPolarHBondContact O-CG 3.46Å; R236-R240 PolarHBondContact O-N 3.38Å
237Q85.6Confident82.6Confident63 Ų6387.6 Ų87.629%0.29439%0.394SS..Hα-helixtrans-66.2-43.3177.6-75.5-174.141.800111.5R227 Y228 D233 Y239 R240 A241R227-Q237 PolarHBondContact O-NE2 3.41Å; Y228-Q237 HydrophobicContact CD1-CB 4.5Å; Y228-Q237 HydrophobicContact CE1-CB 4.04Å; D233-Q237 WeakPolarHBondContact O-CB 3.18Å; D233-Q237 WeakPolarHBondContact O-CG 3.34Å; D233-Q237 PolarHBondContact O-N 3.43Å; D233-Q237 PolarHBondContact OD1-NE2 2.99Å; D233-Q237 PolarHBondContact OD2-NE2 2.87Å; Q237-Y239 PolarHBondContact O-N 2.91Å; Q237-R240 PolarHBondContact O-N 2.89Å; Q237-A241 WeakPolarHBondContact O-CB 3.27Å; Q237-A241 PolarHBondContact O-N 3.48Å
238S84.7Confident82.9Confident1 Ų182.3 Ų82.31%0.00738%0.382CS..Hα-helixtrans-62.4-43.3178.4-61.80000111.7R216 C234 V235 A241 E242R216-S238 WeakPolarHBondContact CD-OG 3.32Å; R216-S238 VanDerWaalsContact NH1-CB 3.32Å; R216-S238 PolarHBondContact NH1-OG 2.87Å; C234-S238 WeakPolarHBondContact O-CB 3.32Å; C234-S238 PolarHBondContact O-N 3.49Å; C234-S238 PolarHBondContact O-OG 2.93Å; V235-S238 PolarHBondContact O-N 2.92Å; S238-A241 PolarHBondContact O-N 3.46Å; S238-E242 PolarHBondContact O-N 2.87Å
239Y87.4Confident82.7Confident136 Ų13683.5 Ų83.553%0.53339%0.387SS..Hα-helixtrans-65.4-40.6177-176.1-101.1000112.3V235 Q237 G243 W244 F247V235-Y239 WeakPolarHBondContact O-CB 3.45Å; V235-Y239 PolarHBondContact O-N 3.43Å; Q237-Y239 PolarHBondContact O-N 2.91Å; Y239-G243 WeakPolarHBondContact O-CA 3.26Å; Y239-G243 PolarHBondContact O-N 2.86Å; Y239-W244 HydrophobicContact CE2-CB 4.06Å; Y239-F247 HydrophobicContact CD2-CE2 4.13Å
240R85.1Confident82.4Confident179 Ų17972.4 Ų72.468%0.67535%0.348SS*.Hα-helixtrans-68.5-35.7177.7-77.8178.6172.4-173.8-8.6113.3R236 Q237R236-R240 WeakPolarHBondContact O-CB 3.47Å; R236-R240 WeakPolarHBondContact O-CG 3.46Å; R236-R240 PolarHBondContact O-N 3.38Å; Q237-R240 PolarHBondContact O-N 2.89Å
241A83.4Confident82.3Confident77 Ų7772.4 Ų72.464%0.63634%0.341SS*.Hα-helixtrans-81.4-38-177.500000113Q237 S238Q237-A241 WeakPolarHBondContact O-CB 3.27Å; Q237-A241 PolarHBondContact O-N 3.48Å; S238-A241 PolarHBondContact O-N 3.46Å
242E78.9Confident82Confident43 Ų4373 Ų7320%0.20135%0.354CS..Hα-helixtrans-126.6-4.6-167.8-70.1172.7-111.100114.3V34 R216 S238 V246 R249V34-E242 HydrophobicContact CB-CG 4.16Å; V34-E242 HydrophobicContact CG1-CG 3.73Å; V34-E242 HydrophobicContact CG2-CG 3.4Å; V34-E242 VanDerWaalsContact CG2-OE1 3.28Å; V34-E242 WeakPolarHBondContact CG2-OE1 3.29Å; V34-E242 VanDerWaalsContact CG2-OE2 3.25Å; V34-E242 WeakPolarHBondContact CG2-OE2 3.39Å; R216-E242 IonicContact CZ-OE1 3.27Å; R216-E242 IonicContact NH1-OE1 2.7Å; R216-E242 PolarHBondContact NH1-OE1 3.38Å; R216-E242 IonicContact NH2-OE1 2.95Å; R216-E242 PolarHBondContact NH2-OE1 2.95Å; R216-E242 IonicContact NH2-OE2 3.17Å; R216-E242 PolarHBondContact NH2-OE2 3.33Å; S238-E242 PolarHBondContact O-N 2.87Å; E242-V246 HydrophobicContact CB-CB 3.73Å; E242-V246 HydrophobicContact CB-CG1 4.49Å; E242-V246 HydrophobicContact CB-CG2 3.95Å; E242-V246 HydrophobicContact CG-CG2 4.39Å; E242-V246 VanDerWaalsContact OE2-CG2 3.22Å; E242-V246 WeakPolarHBondContact OE2-CG2 3.45Å; E242-R249 IonicContact OE2-NH1 2.71Å
243G85.1Confident81.3Confident26 Ų2665.9 Ų65.927%0.26832%0.316SS..  trans69.3-166.7-175.100000113.4Y239 R245 V246Y239-G243 WeakPolarHBondContact O-CA 3.26Å; Y239-G243 PolarHBondContact O-N 2.86Å; G243-R245 VanDerWaalsContact C-N 3.33Å; G243-R245 PolarHBondContact O-N 3.28Å; G243-V246 WeakPolarHBondContact O-CG1 3.32Å
244W82.5Confident80.8Confident162 Ų16264.1 Ų64.161%0.61431%0.308SS*.G310 helixtrans-69.9-25.4-175.669.9-93.4000114.2Y239 V246 F247 T248Y239-W244 HydrophobicContact CE2-CB 4.06Å; W244-V246 PolarHBondContact O-N 3.26Å; W244-V246 VanDerWaalsContact O-N 3.16Å; W244-F247 WeakPolarHBondContact O-CD2 3.47Å; W244-F247 PolarHBondContact O-N 2.99Å; W244-F247 VanDerWaalsContact O-N 3.17Å; W244-T248 HydrophobicContact CZ3-CG2 4.35Å
245R78.7Confident80.4Confident178 Ų17866.9 Ų66.967%0.67232%0.322SS*.G310 helixtrans-65.7-18.4-177.6-66.1-175178.6-157.20.5113.1G243 F247 T248 R249G243-R245 VanDerWaalsContact C-N 3.33Å; G243-R245 PolarHBondContact O-N 3.28Å; R245-F247 PolarHBondContact O-N 2.78Å; R245-T248 PolarHBondContact O-N 3.34Å; R245-T248 PolarHBondContact O-OG1 3.31Å; R245-T248 VanDerWaalsContact O-OG1 3.12Å; R245-R249 PolarHBondContact O-N 2.94Å
246V79.3Confident80Confident3 Ų368.7 Ų68.72%0.01833%0.329CS..G310 helixtrans-58.7-36.8174.675.40000112.1E242 G243 W244 T248 R249E242-V246 HydrophobicContact CB-CB 3.73Å; E242-V246 HydrophobicContact CB-CG1 4.49Å; E242-V246 HydrophobicContact CB-CG2 3.95Å; E242-V246 HydrophobicContact CG-CG2 4.39Å; E242-V246 VanDerWaalsContact OE2-CG2 3.22Å; E242-V246 WeakPolarHBondContact OE2-CG2 3.45Å; G243-V246 WeakPolarHBondContact O-CG1 3.32Å; W244-V246 PolarHBondContact O-N 3.26Å; W244-V246 VanDerWaalsContact O-N 3.16Å; V246-T248 PolarHBondContact O-N 3.24Å; V246-R249 WeakPolarHBondContact O-CB 3.27Å; V246-R249 PolarHBondContact O-N 2.94Å
247F81.8Confident79.6Confident32 Ų3264.6 Ų64.614%0.1431%0.314CS..G310 helixtrans-76.3-10.5-176.2-60.9-70.1000113Y208 P209 V213 V235 Y239 W244 R245Y208-F247 WeakPolarHBondContact CD1-O 3.22Å; Y208-F247 WeakPolarHBondContact CE1-O 3.2Å; P209-F247 HydrophobicContact CB-CB 4.16Å; P209-F247 HydrophobicContact CB-CD1 4.17Å; P209-F247 HydrophobicContact CB-CG 4.39Å; P209-F247 HydrophobicContact CG-CB 4.46Å; V213-F247 HydrophobicContact CG2-CD1 4.49Å; V213-F247 HydrophobicContact CG2-CE1 3.94Å; V235-F247 HydrophobicContact CG1-CZ 4.14Å; Y239-F247 HydrophobicContact CD2-CE2 4.13Å; W244-F247 WeakPolarHBondContact O-CD2 3.47Å; W244-F247 PolarHBondContact O-N 2.99Å; W244-F247 VanDerWaalsContact O-N 3.17Å; R245-F247 PolarHBondContact O-N 2.78Å
248T79.7Confident78.9Confident69 Ų6963.3 Ų63.342%0.42331%0.314SS..G310 helixtrans-107.5-2.7176.661.80000112.8W244 R245 V246 G250 L251W244-T248 HydrophobicContact CZ3-CG2 4.35Å; R245-T248 PolarHBondContact O-N 3.34Å; R245-T248 PolarHBondContact O-OG1 3.31Å; R245-T248 VanDerWaalsContact O-OG1 3.12Å; V246-T248 PolarHBondContact O-N 3.24Å; T248-G250 PolarHBondContact O-N 3.32Å; T248-L251 VanDerWaalsContact O-CB 3.26Å; T248-L251 WeakPolarHBondContact O-CB 3.2Å; T248-L251 PolarHBondContact O-N 3.44Å; T248-L251 VanDerWaalsContact O-N 3.16Å
249R75.2Confident78.5Confident63 Ų6371.2 Ų71.224%0.23835%0.348CS..THydrogen-bonded Turntrans-66.7119.5-176.6-161.9174.8-176.7168.31110.8L29 Y208 E242 R245 V246L29-R249 PolarHBondContact O-NE 3.45Å; Y208-R249 PolarHBondContact OH-O 3.14Å; E242-R249 IonicContact OE2-NH1 2.71Å; R245-R249 PolarHBondContact O-N 2.94Å; V246-R249 WeakPolarHBondContact O-CB 3.27Å; V246-R249 PolarHBondContact O-N 2.94Å
250G71.7Confident77.9Confident10 Ų1066.5 Ų66.510%0.10334%0.335CS..THydrogen-bonded Turntrans92.3-2.7-178.500000115.3Y208 T248 A252 S253 T254Y208-G250 VanDerWaalsContact OH-CA 3.24Å; Y208-G250 WeakPolarHBondContact OH-CA 3.05Å; Y208-G250 PolarHBondContact OH-O 3.42Å; T248-G250 PolarHBondContact O-N 3.32Å; G250-A252 VanDerWaalsContact C-N 3.3Å; G250-A252 PolarHBondContact O-N 3.27Å; G250-S253 WeakPolarHBondContact O-CB 3.32Å; G250-S253 PolarHBondContact O-N 3.44Å; G250-T254 PolarHBondContact O-N 3.33Å; G250-T254 VanDerWaalsContact O-N 3.17Å; G250-T254 PolarHBondContact O-OG1 2.99Å
251L77.9Confident77.3Confident28 Ų2858.9 Ų58.915%0.14731%0.308CS..Hα-helixtrans-57.7-44.9-179.6175.662.3000111L205 Y208 T248 S253 T254 L255L205-L251 HydrophobicContact CD2-CD1 4.42Å; L205-L251 HydrophobicContact CD2-CD2 3.63Å; Y208-L251 HydrophobicContact CD1-CB 3.89Å; Y208-L251 HydrophobicContact CD1-CD1 4.11Å; Y208-L251 HydrophobicContact CD1-CG 4.45Å; Y208-L251 HydrophobicContact CD2-CB 4.46Å; Y208-L251 HydrophobicContact CD2-CD1 3.68Å; Y208-L251 HydrophobicContact CE1-CB 3.67Å; Y208-L251 HydrophobicContact CE2-CB 4.22Å; Y208-L251 HydrophobicContact CE2-CD1 4.11Å; Y208-L251 HydrophobicContact CG-CB 4.35Å; Y208-L251 HydrophobicContact CG-CD1 3.73Å; Y208-L251 VanDerWaalsContact CZ-CA 3.45Å; Y208-L251 VanDerWaalsContact CZ-N 3.27Å; Y208-L251 PolarHBondContact OH-N 3.23Å; T248-L251 VanDerWaalsContact O-CB 3.26Å; T248-L251 WeakPolarHBondContact O-CB 3.2Å; T248-L251 PolarHBondContact O-N 3.44Å; T248-L251 VanDerWaalsContact O-N 3.16Å; L251-S253 VanDerWaalsContact C-N 3.26Å; L251-S253 PolarHBondContact O-N 3.31Å; L251-T254 WeakPolarHBondContact O-CA 3.41Å; L251-T254 WeakPolarHBondContact O-CB 3.41Å; L251-T254 PolarHBondContact O-N 2.94Å; L251-L255 HydrophobicContact CD1-CD1 4.1Å; L251-L255 HydrophobicContact CD1-CD2 4.48Å; L251-L255 HydrophobicContact CD1-CG 4.06Å; L251-L255 HydrophobicContact CG-CD1 3.95Å; L251-L255 HydrophobicContact CG-CG 4.31Å; L251-L255 WeakPolarHBondContact O-CG 3.31Å; L251-L255 PolarHBondContact O-N 3.39Å
252A76.7Confident76.7Confident65 Ų6559.3 Ų59.354%0.53730%0.3SS..Hα-helixtrans-57.9-36.917700000113G250 T254 L256G250-A252 VanDerWaalsContact C-N 3.3Å; G250-A252 PolarHBondContact O-N 3.27Å; A252-T254 VanDerWaalsContact C-N 3.33Å; A252-L256 WeakPolarHBondContact O-CB 3.42Å; A252-L256 PolarHBondContact O-N 2.91Å
253S70.1Confident76.3Confident1 Ų159.7 Ų59.71%0.00731%0.31CS..Hα-helixtrans-68.1-36176.1-1630000111.6F22 G250 L251 R257F22-S253 PolarHBondContact O-OG 3.21Å; G250-S253 WeakPolarHBondContact O-CB 3.32Å; G250-S253 PolarHBondContact O-N 3.44Å; L251-S253 VanDerWaalsContact C-N 3.26Å; L251-S253 PolarHBondContact O-N 3.31Å; S253-R257 VanDerWaalsContact O-CB 3.32Å; S253-R257 WeakPolarHBondContact O-CB 3.2Å; S253-R257 PolarHBondContact O-N 3.46Å
254T73.6Confident75.7Confident9 Ų959.4 Ų59.46%0.05531%0.305CS..Hα-helixtrans-71.2-42.6179.3-51.60000111K26 W204 G250 L251 A252 R257 A258K26-T254 WeakPolarHBondContact CD-OG1 3.49Å; K26-T254 WeakPolarHBondContact CE-OG1 3.43Å; W204-T254 HydrophobicContact CD2-CG2 3.9Å; W204-T254 HydrophobicContact CE3-CG2 3.79Å; W204-T254 HydrophobicContact CH2-CG2 4.13Å; W204-T254 HydrophobicContact CZ2-CG2 4.23Å; W204-T254 HydrophobicContact CZ3-CG2 3.91Å; G250-T254 PolarHBondContact O-N 3.33Å; G250-T254 VanDerWaalsContact O-N 3.17Å; G250-T254 PolarHBondContact O-OG1 2.99Å; L251-T254 WeakPolarHBondContact O-CA 3.41Å; L251-T254 WeakPolarHBondContact O-CB 3.41Å; L251-T254 PolarHBondContact O-N 2.94Å; A252-T254 VanDerWaalsContact C-N 3.33Å; T254-R257 WeakPolarHBondContact O-CB 3.3Å; T254-R257 PolarHBondContact O-N 3.2Å; T254-A258 PolarHBondContact O-N 2.9Å
255L76.6Confident75.1Confident58 Ų5853.5 Ų53.530%0.30429%0.287SS..Hα-helixtrans-68.1-42.5176.4-64.6176.1000111.7I201 W204 L251 R257 A258I201-L255 HydrophobicContact CB-CD2 4.49Å; I201-L255 HydrophobicContact CG1-CD2 4.25Å; I201-L255 HydrophobicContact CG2-CD2 4.1Å; W204-L255 HydrophobicContact CB-CD2 4.49Å; L251-L255 HydrophobicContact CD1-CD1 4.1Å; L251-L255 HydrophobicContact CD1-CD2 4.48Å; L251-L255 HydrophobicContact CD1-CG 4.06Å; L251-L255 HydrophobicContact CG-CD1 3.95Å; L251-L255 HydrophobicContact CG-CG 4.31Å; L251-L255 WeakPolarHBondContact O-CG 3.31Å; L251-L255 PolarHBondContact O-N 3.39Å; L255-R257 VanDerWaalsContact C-N 3.29Å; L255-R257 PolarHBondContact O-N 2.93Å; L255-A258 WeakPolarHBondContact O-CB 3.47Å; L255-A258 PolarHBondContact O-N 3.44Å
256L78.3Confident74.8Confident93 Ų9351.4 Ų51.449%0.48728%0.283SS..Hα-helixtrans-65.2-33.3177.8-172.365.2000112.2F22 A252 A258 P260F22-L256 HydrophobicContact CE1-CB 4.5Å; F22-L256 HydrophobicContact CE1-CD2 3.84Å; F22-L256 HydrophobicContact CE1-CG 3.89Å; A252-L256 WeakPolarHBondContact O-CB 3.42Å; A252-L256 PolarHBondContact O-N 2.91Å; L256-A258 VanDerWaalsContact C-N 3.32Å; L256-A258 PolarHBondContact O-N 2.98Å; L256-P260 WeakPolarHBondContact O-CD 3.5Å
257R80.2Confident74.5Confident61 Ų6153.9 Ų53.923%0.2330%0.303CS..Hα-helixtrans-62.9-36.5174.5176.5-174.4150.6112.7-16112.7G19 F22 D23 S253 T254 L255 F259 P260 V261G19-R257 PolarHBondContact O-NH1 2.95Å; F22-R257 HydrophobicContact CB-CB 3.58Å; F22-R257 HydrophobicContact CB-CG 3.81Å; F22-R257 HydrophobicContact CD1-CB 4.41Å; F22-R257 HydrophobicContact CD2-CB 4.15Å; F22-R257 HydrophobicContact CD2-CG 4.2Å; F22-R257 HydrophobicContact CG-CB 3.81Å; F22-R257 HydrophobicContact CG-CG 4.21Å; D23-R257 IonicContact OD1-CZ 2.85Å; D23-R257 IonicContact OD1-NE 2.66Å; D23-R257 IonicContact OD1-NH1 3.5Å; D23-R257 PolarHBondContact OD1-NH1 3.02Å; D23-R257 IonicContact OD1-NH2 3.1Å; D23-R257 IonicContact OD2-CZ 2.88Å; D23-R257 IonicContact OD2-NH1 3.69Å; D23-R257 PolarHBondContact OD2-NH1 2.87Å; D23-R257 IonicContact OD2-NH2 3.69Å; S253-R257 VanDerWaalsContact O-CB 3.32Å; S253-R257 WeakPolarHBondContact O-CB 3.2Å; S253-R257 PolarHBondContact O-N 3.46Å; T254-R257 WeakPolarHBondContact O-CB 3.3Å; T254-R257 PolarHBondContact O-N 3.2Å; L255-R257 VanDerWaalsContact C-N 3.29Å; L255-R257 PolarHBondContact O-N 2.93Å; R257-F259 VanDerWaalsContact C-N 3.28Å; R257-F259 PolarHBondContact O-N 2.94Å; R257-P260 WeakPolarHBondContact O-CD 3.47Å; R257-V261 HydrophobicContact CG-CG2 3.65Å; R257-V261 WeakPolarHBondContact O-CB 3.21Å; R257-V261 VanDerWaalsContact O-CG2 3.23Å; R257-V261 WeakPolarHBondContact O-CG2 3.4Å; R257-V261 PolarHBondContact O-N 3.44Å
258A70.5Confident74.2Confident36 Ų3654.2 Ų54.230%0.29831%0.308SS..Hα-helixtrans-59.3-40.9-170.600000111.9T254 L255 L256 N262T254-A258 PolarHBondContact O-N 2.9Å; L255-A258 WeakPolarHBondContact O-CB 3.47Å; L255-A258 PolarHBondContact O-N 3.44Å; L256-A258 VanDerWaalsContact C-N 3.32Å; L256-A258 PolarHBondContact O-N 2.98Å; A258-N262 VanDerWaalsContact O-CB 3.24Å; A258-N262 WeakPolarHBondContact O-CB 3.23Å; A258-N262 PolarHBondContact O-N 3.45Å; A258-N262 PolarHBondContact O-ND2 3.48Å
259F75.1Confident73.9Confident166 Ų16652.7 Ų52.773%0.72830%0.299SS*.Hα-helixtrans-68.4-54.3-176.5-175.8-86.3000113.3R257 V261 N262 A263R257-F259 VanDerWaalsContact C-N 3.28Å; R257-F259 PolarHBondContact O-N 2.94Å; F259-V261 PolarHBondContact O-N 3.03Å; F259-N262 PolarHBondContact O-N 2.87Å; F259-A263 WeakPolarHBondContact O-CB 3.47Å; F259-A263 PolarHBondContact O-N 2.87Å
260P76.1Confident73.8Confident38 Ų3853.4 Ų53.425%0.24731%0.31CS..Hα-helixtrans-61-39.9177.4-2535.2000113.7V18 F22 L256 R257 A264V18-P260 HydrophobicContact CG1-CB 3.56Å; F22-P260 HydrophobicContact CE2-CB 4.25Å; F22-P260 HydrophobicContact CE2-CG 4.06Å; F22-P260 HydrophobicContact CZ-CG 4.06Å; L256-P260 WeakPolarHBondContact O-CD 3.5Å; R257-P260 WeakPolarHBondContact O-CD 3.47Å; P260-A264 VanDerWaalsContact O-CB 3.32Å; P260-A264 WeakPolarHBondContact O-CB 3.42Å; P260-A264 PolarHBondContact O-N 2.96Å
261V72.1Confident74.3Confident18 Ų1857.8 Ų57.811%0.10934%0.335CS..Hα-helixtrans-65-49.6-179.5172.90000110.7R257 F259 A263 A264 T265R257-V261 HydrophobicContact CG-CG2 3.65Å; R257-V261 WeakPolarHBondContact O-CB 3.21Å; R257-V261 VanDerWaalsContact O-CG2 3.23Å; R257-V261 WeakPolarHBondContact O-CG2 3.4Å; R257-V261 PolarHBondContact O-N 3.44Å; F259-V261 PolarHBondContact O-N 3.03Å; V261-A263 PolarHBondContact O-N 3.3Å; V261-A264 PolarHBondContact O-N 3.42Å; V261-T265 WeakPolarHBondContact O-CB 3.41Å; V261-T265 PolarHBondContact O-N 3.33Å; V261-T265 PolarHBondContact O-OG1 3.21Å
262N70.4Confident74.4Confident87 Ų8758.7 Ų58.747%0.46534%0.341SS..Hα-helixtrans-63.8-43.7-179.8-67.9-12000110.8A258 F259 A264 T265 F266A258-N262 VanDerWaalsContact O-CB 3.24Å; A258-N262 WeakPolarHBondContact O-CB 3.23Å; A258-N262 PolarHBondContact O-N 3.45Å; A258-N262 PolarHBondContact O-ND2 3.48Å; F259-N262 PolarHBondContact O-N 2.87Å; N262-A264 PolarHBondContact O-N 2.9Å; N262-T265 PolarHBondContact O-N 3.25Å; N262-F266 HydrophobicContact CB-CD2 4.41Å; N262-F266 HydrophobicContact CB-CE2 4.44Å; N262-F266 WeakPolarHBondContact O-CD2 3.24Å; N262-F266 PolarHBondContact O-N 3.5Å
263A70.5Confident74.4Confident51 Ų5157.2 Ų57.242%0.42132%0.324SS..Hα-helixtrans-58.5-46.4177.100000112F259 V261 A267F259-A263 WeakPolarHBondContact O-CB 3.47Å; F259-A263 PolarHBondContact O-N 2.87Å; V261-A263 PolarHBondContact O-N 3.3Å; A263-A267 WeakPolarHBondContact O-CB 3.42Å; A263-A267 PolarHBondContact O-N 2.88Å
264A73.3Confident74.8Confident19 Ų1961.7 Ų61.716%0.15735%0.351CS..Hα-helixtrans-63.9-45.9178.100000112.1V18 P260 V261 N262 A267 T268V18-A264 HydrophobicContact CB-CB 3.99Å; V18-A264 HydrophobicContact CG1-CB 4.28Å; V18-A264 HydrophobicContact CG2-CB 3.63Å; P260-A264 VanDerWaalsContact O-CB 3.32Å; P260-A264 WeakPolarHBondContact O-CB 3.42Å; P260-A264 PolarHBondContact O-N 2.96Å; V261-A264 PolarHBondContact O-N 3.42Å; N262-A264 PolarHBondContact O-N 2.9Å; A264-A267 PolarHBondContact O-N 2.72Å; A264-T268 WeakPolarHBondContact O-CB 3.44Å; A264-T268 PolarHBondContact O-N 3.41Å; A264-T268 PolarHBondContact O-OG1 3.48Å
265T70.4Confident75.2Confident39 Ų3969.2 Ų69.224%0.23938%0.38CS..Hα-helixtrans-61-48.3178.3-65.80000111.7G11 G15 V261 N262 T268 V269G11-T265 PolarHBondContact O-OG1 2.92Å; G15-T265 VanDerWaalsContact CA-OG1 3.31Å; G15-T265 WeakPolarHBondContact CA-OG1 3.34Å; V261-T265 WeakPolarHBondContact O-CB 3.41Å; V261-T265 PolarHBondContact O-N 3.33Å; V261-T265 PolarHBondContact O-OG1 3.21Å; N262-T265 PolarHBondContact O-N 3.25Å; T265-T268 PolarHBondContact O-N 3.49Å; T265-V269 VanDerWaalsContact O-CG2 3.24Å; T265-V269 WeakPolarHBondContact O-CG2 3.36Å; T265-V269 PolarHBondContact O-N 2.95Å
266F71.5Confident75.3Confident134 Ų13467.1 Ų67.159%0.58837%0.371SS*.Hα-helixtrans-66.2-41179.1-78.6-63.7000112.7N262 V269 T270N262-F266 HydrophobicContact CB-CD2 4.41Å; N262-F266 HydrophobicContact CB-CE2 4.44Å; N262-F266 WeakPolarHBondContact O-CD2 3.24Å; N262-F266 PolarHBondContact O-N 3.5Å; F266-V269 PolarHBondContact O-N 3.36Å; F266-T270 WeakPolarHBondContact O-CB 3.39Å; F266-T270 PolarHBondContact O-N 3.49Å; F266-T270 PolarHBondContact O-OG1 2.77Å
267A73.1Confident75.3Confident54 Ų5470.6 Ų70.645%0.44638%0.378SS..Hα-helixtrans-61.4-46.6177.100000111.1A263 A264 T270 V271A263-A267 WeakPolarHBondContact O-CB 3.42Å; A263-A267 PolarHBondContact O-N 2.88Å; A264-A267 PolarHBondContact O-N 2.72Å; A267-T270 PolarHBondContact O-N 2.97Å; A267-V271 WeakPolarHBondContact O-CB 3.43Å; A267-V271 VanDerWaalsContact O-CG2 3.3Å; A267-V271 WeakPolarHBondContact O-CG2 3.21Å; A267-V271 PolarHBondContact O-N 3.28Å
268T75.8Confident74.5Confident39 Ų3970 Ų7024%0.23939%0.391CS..Hα-helixtrans-65.4-44.9179.2-60.20000112.1A10 A14 A264 T265 T270 V271 V272A10-T268 HydrophobicContact CB-CG2 3.86Å; A14-T268 HydrophobicContact CB-CG2 4.08Å; A14-T268 WeakPolarHBondContact CB-OG1 3.36Å; A264-T268 WeakPolarHBondContact O-CB 3.44Å; A264-T268 PolarHBondContact O-N 3.41Å; A264-T268 PolarHBondContact O-OG1 3.48Å; T265-T268 PolarHBondContact O-N 3.49Å; T268-T270 VanDerWaalsContact C-N 3.31Å; T268-T270 PolarHBondContact O-N 3.41Å; T268-V271 PolarHBondContact O-N 3.41Å; T268-V272 HydrophobicContact CG2-CG2 4.26Å; T268-V272 WeakPolarHBondContact O-CB 3.3Å; T268-V272 WeakPolarHBondContact O-CG2 3.49Å; T268-V272 PolarHBondContact O-N 2.94Å
269V73.4Confident73.9Confident37 Ų3774.9 Ų74.922%0.22441%0.408CS..Hα-helixtrans-58.4-45.9175.7170.60000110.5A7 T265 F266 V272 L273A7-V269 HydrophobicContact CB-CG1 4.29Å; A7-V269 WeakPolarHBondContact O-CG2 3.4Å; T265-V269 VanDerWaalsContact O-CG2 3.24Å; T265-V269 WeakPolarHBondContact O-CG2 3.36Å; T265-V269 PolarHBondContact O-N 2.95Å; F266-V269 PolarHBondContact O-N 3.36Å; V269-V272 PolarHBondContact O-N 3Å; V269-L273 HydrophobicContact CG1-CD1 3.74Å; V269-L273 HydrophobicContact CG1-CG 4.39Å; V269-L273 WeakPolarHBondContact O-CB 3.43Å; V269-L273 VanDerWaalsContact O-CG 3.29Å; V269-L273 WeakPolarHBondContact O-CG 3.38Å; V269-L273 PolarHBondContact O-N 3.45Å
270T73.7Confident72.8Confident79 Ų7974.6 Ų74.649%0.48541%0.408SS..Hα-helixtrans-61.8-50.3-179.7-55.40000111F266 A267 T268 V272 L273 T274F266-T270 WeakPolarHBondContact O-CB 3.39Å; F266-T270 PolarHBondContact O-N 3.49Å; F266-T270 PolarHBondContact O-OG1 2.77Å; A267-T270 PolarHBondContact O-N 2.97Å; T268-T270 VanDerWaalsContact C-N 3.31Å; T268-T270 PolarHBondContact O-N 3.41Å; T270-V272 PolarHBondContact O-N 3.45Å; T270-L273 PolarHBondContact O-N 3.04Å; T270-T274 WeakPolarHBondContact O-CB 3.35Å; T270-T274 PolarHBondContact O-N 3.39Å; T270-T274 PolarHBondContact O-OG1 2.94Å
271V80.3Confident71.3Confident101 Ų10176.8 Ų76.861%0.61243%0.43SS*.Hα-helixtrans-60.4-44.3-179.8169.50000111.6A267 T268 T274 Y275A267-V271 WeakPolarHBondContact O-CB 3.43Å; A267-V271 VanDerWaalsContact O-CG2 3.3Å; A267-V271 WeakPolarHBondContact O-CG2 3.21Å; A267-V271 PolarHBondContact O-N 3.28Å; T268-V271 PolarHBondContact O-N 3.41Å; V271-T274 PolarHBondContact O-N 2.86Å; V271-Y275 WeakPolarHBondContact O-CB 3.29Å; V271-Y275 PolarHBondContact O-N 2.94Å
272V81.2Confident69.4Low48 Ų4878.7 Ų78.729%0.29145%0.453SS..Hα-helixtrans-64.8-43-179.7173.40000111.2A7 A10 T268 V269 T270 A276A7-V272 HydrophobicContact CB-CB 4.11Å; A7-V272 HydrophobicContact CB-CG1 3.8Å; A10-V272 HydrophobicContact CB-CG2 4.03Å; T268-V272 HydrophobicContact CG2-CG2 4.26Å; T268-V272 WeakPolarHBondContact O-CB 3.3Å; T268-V272 WeakPolarHBondContact O-CG2 3.49Å; T268-V272 PolarHBondContact O-N 2.94Å; V269-V272 PolarHBondContact O-N 3Å; T270-V272 PolarHBondContact O-N 3.45Å; V272-A276 WeakPolarHBondContact O-CB 3.24Å; V272-A276 PolarHBondContact O-N 3.42Å
273L77.1Confident68Low34 Ų3480.7 Ų80.718%0.17847%0.471CS..Hα-helixtrans-68.7-39.6177.7-70.3174.4000112.4A7 V269 T270 R277A7-L273 HydrophobicContact CB-CD1 4.4Å; A7-L273 HydrophobicContact CB-CD2 3.73Å; A7-L273 HydrophobicContact CB-CG 3.7Å; V269-L273 HydrophobicContact CG1-CD1 3.74Å; V269-L273 HydrophobicContact CG1-CG 4.39Å; V269-L273 WeakPolarHBondContact O-CB 3.43Å; V269-L273 VanDerWaalsContact O-CG 3.29Å; V269-L273 WeakPolarHBondContact O-CG 3.38Å; V269-L273 PolarHBondContact O-N 3.45Å; T270-L273 PolarHBondContact O-N 3.04Å; L273-R277 WeakPolarHBondContact O-CB 3.35Å; L273-R277 VanDerWaalsContact O-CG 3.24Å; L273-R277 WeakPolarHBondContact O-CG 3.35Å; L273-R277 PolarHBondContact O-N 3.41Å
274T78.3Confident66.4Low94 Ų9488 Ų8858%0.57750%0.496SS*.Hα-helixtrans-66.3-40.9177.7-59.60000111.5T270 V271 G278T270-T274 WeakPolarHBondContact O-CB 3.35Å; T270-T274 PolarHBondContact O-N 3.39Å; T270-T274 PolarHBondContact O-OG1 2.94Å; V271-T274 PolarHBondContact O-N 2.86Å; T274-G278 PolarHBondContact O-N 3.41Å
275Y81.9Confident64.3Low168 Ų16891 Ų9166%0.65953%0.53SS*.Hα-helixtrans-66.5-47.3177.6-166.2-95.4000111.6V271 R277 G278 E279V271-Y275 WeakPolarHBondContact O-CB 3.29Å; V271-Y275 PolarHBondContact O-N 2.94Å; Y275-R277 VanDerWaalsContact C-N 3.34Å; Y275-R277 PolarHBondContact O-N 3.32Å; Y275-G278 PolarHBondContact O-N 3.05Å; Y275-G278 VanDerWaalsContact O-N 3.1Å; Y275-E279 HydrophobicContact CE1-CG 4.45Å; Y275-E279 PolarHBondContact O-N 2.86Å; Y275-E279 VanDerWaalsContact O-N 3.09Å
276A78.4Confident62.6Low14 Ų1498.6 Ų98.612%0.11656%0.563CS.*Hα-helixtrans-63.9-36.3179.100000113.2L3 V272L3-A276 HydrophobicContact CD1-CB 4.17Å; L3-A276 HydrophobicContact CD2-CB 3.71Å; L3-A276 HydrophobicContact CG-CB 4.48Å; V272-A276 WeakPolarHBondContact O-CB 3.24Å; V272-A276 PolarHBondContact O-N 3.42Å
277R77.4Confident60.5Low165 Ų16596.8 Ų96.862%0.62357%0.572SS**Hα-helixtrans-74.3-26.9174.1-70.5175.2-177.6-175.40.5112.8L273 Y275 E280L273-R277 WeakPolarHBondContact O-CB 3.35Å; L273-R277 VanDerWaalsContact O-CG 3.24Å; L273-R277 WeakPolarHBondContact O-CG 3.35Å; L273-R277 PolarHBondContact O-N 3.41Å; Y275-R277 VanDerWaalsContact C-N 3.34Å; Y275-R277 PolarHBondContact O-N 3.32Å; R277-E280 PolarHBondContact O-N 2.93Å
278G64.2Low58.7Low49 Ų49100.4 Ų100.451%0.50559%0.588SS.*Hα-helixtrans-70.7-29.9173.700000113.1T274 Y275 A281T274-G278 PolarHBondContact O-N 3.41Å; Y275-G278 PolarHBondContact O-N 3.05Å; Y275-G278 VanDerWaalsContact O-N 3.1Å; G278-A281 PolarHBondContact O-N 3.11Å
279E57.3Low56.5Low139 Ų139104.2 Ų104.265%0.6561%0.614SS**Hα-helixtrans-72.1-27.5172.7-77.9-177108.300113.2Y275 A281Y275-E279 HydrophobicContact CE1-CG 4.45Å; Y275-E279 PolarHBondContact O-N 2.86Å; Y275-E279 VanDerWaalsContact O-N 3.09Å; E279-A281 VanDerWaalsContact C-N 3.29Å
280E52.8Low54.7Low159 Ų159107.2 Ų107.274%0.74364%0.643SS**SBendtrans-79-10.5173.6-67-159.2164.200113.4R277 G282R277-E280 PolarHBondContact O-N 2.93Å; E280-G282 PolarHBondContact O-N 2.92Å
281A43.6Very low52.5Low85 Ų85107.5 Ų107.570%0.70265%0.653SS**  trans-99.347.3-175.600000113.6G278 E279G278-A281 PolarHBondContact O-N 3.11Å; E279-A281 VanDerWaalsContact C-N 3.29Å
282G33Very low49.9Very low58 Ų58108.5 Ų108.560%0.59866%0.664SS**SBendtrans-149.8145.6167.900000113E280E280-G282 PolarHBondContact O-N 2.92Å
283P41.4Very low47.2Very low129 Ų129110.7 Ų110.784%0.83869%0.687SS**SBend-99.2106.7-51.332.4-16.7000109.5
284E36.3Very low44.9Very low203 Ų203113.6 Ų113.695%0.94972%0.716SS**SBendtrans-167.7113.3149.4-109.8177.3-158.500108.5
285G29.8Very low42.8Very low84 Ų84114.6 Ų114.687%0.86672%0.724SS**  trans106.778.5164.300000116.3
286E33.9Very low40.1Very low198 Ų198111.3 Ų111.393%0.92573%0.732SS**  trans-74.2124.3165.7-171.2173.1175.600111.1
287A27.5Very low37.6Very low95 Ų95112.6 Ų112.679%0.78575%0.747SS**  trans176.9115.3136.700000111
288V35.7Very low35.2Very low130 Ų130110.3 Ų110.379%0.78875%0.754SS**  trans-82.3153.2174.9-1770000109.4
289P30.1Very low33.3Very low119 Ų119111.3 Ų111.377%0.77376%0.757SS**  -135.7143.1105.924.8-6.8000113.2A291P289-A291 PolarHBondContact O-N 3.02Å; P289-A291 VanDerWaalsContact O-N 3.11Å
290A36Very low31.9Very low101 Ų101111.6 Ų111.684%0.83576%0.762SS**  trans-57.8108.6168.500000110.6
291A26.4Very low30.5Very low84 Ų84106.4 Ų106.469%0.69475%0.747SS**  trans-166.2123.1159.900000111.9P289P289-A291 PolarHBondContact O-N 3.02Å; P289-A291 VanDerWaalsContact O-N 3.11Å
292S26.1Very low29.5Very low123 Ų123110.9 Ų110.986%0.8675%0.753SS**  trans76.4147.9149.4820000120.1
293A24.7Very low29.2Very low93 Ų93114.2 Ų114.277%0.76976%0.764SS**  trans85.483.2161.100000118.9
294A27.5Very low28.4Very low96 Ų96113.7 Ų113.779%0.79376%0.764SS**  -70147.6121.300000107.4
295P34Very low27.8Very low114 Ų114109.4 Ų109.474%0.7476%0.756SS**  cis-143.3135.448.535.7-15.1000115.7G297P295-G297 PolarHBondContact O-N 3.39Å
296A26.6Very low27.6Very low99 Ų99117.3 Ų117.382%0.81878%0.777SS**  trans-89.364.214900000108.3
297G25.9Very low27.3Very low42 Ų42113.3 Ų113.343%0.43377%0.77SS.*SBendtrans-105.8158159.200000108P295 A299P295-G297 PolarHBondContact O-N 3.39Å; G297-A299 PolarHBondContact O-N 2.98Å
298P25.9Very low27.3Very low117 Ų117114.3 Ų114.376%0.7677%0.769SS**  trans-59.7130174.727.8-31000107.9L300P298-L300 PolarHBondContact O-N 3.1Å
299A25.8Very low26.8Very low70 Ų70113.4 Ų113.458%0.57977%0.768SS**  trans-47.7109.6-175.600000111G297 A301G297-A299 PolarHBondContact O-N 2.98Å; A299-A301 PolarHBondContact O-N 3.09Å
300L26.3Very low26.7Very low144 Ų144113.1 Ų113.175%0.75477%0.768SS**  trans-71.8117.8166.2-85.2160.1000107.3P298 Q302P298-L300 PolarHBondContact O-N 3.1Å; L300-Q302 PolarHBondContact O-N 3.47Å
301A24.3Very low26.1Very low51 Ų51113.8 Ų113.842%0.42176%0.763SS.*  trans-45128.5169.900000111.9P92 A299P92-A301 HydrophobicContact CB-CB 3.58Å; P92-A301 HydrophobicContact CG-CB 3.42Å; P92-A301 VanDerWaalsContact CG-CB 3.42Å; A299-A301 PolarHBondContact O-N 3.09Å
302Q22.5Very low26Very low179 Ų179115.8 Ų115.884%0.83677%0.768SS**  trans-63.2140.3166.7-66.4-163.5-29.300110L300 S304L300-Q302 PolarHBondContact O-N 3.47Å; Q302-S304 PolarHBondContact O-N 3.4Å
303P27.1Very low26Very low127 Ų127115.3 Ų115.383%0.82576%0.761SS**  trans-73.1114.3164.429-27.9000108.2S305P303-S305 PolarHBondContact O-N 3.44Å
304S24.5Very low26.1Very low119 Ų119117 Ų11783%0.83276%0.761SS**  trans-62.4128.316721.10000109.5Q302Q302-S304 PolarHBondContact O-N 3.4Å
305S23.6Very low26Very low113 Ų113118.8 Ų118.879%0.7976%0.758SS**  trans-58.2133.3174.545.70000113P303P303-S305 PolarHBondContact O-N 3.44Å
306L26.1Very low25.3Very low250 Ų250119.2 Ų119.2100%1.30976%0.76SS**  -124.90129.9-83.3172.8000107.6

Retrieved 306 of 306 residues in 211.7 ms (Link to these results)