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NADH-ubiquinone oxidoreductase chain 5

Core subunit of the mitochondrial membrane respiratory chain NADH dehydrogenase (Complex I) which catalyzes electron transfer from NADH through the respiratory chain, using ubiquinone as an electron acceptor. Essential for the catalytic activity and assembly of complex I.

AlphaFold DB , UniProt , Accession A0A076LB70, Species HUMAN (Homo sapiens, Human), Gene ND5, Length 603 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
1M74.9Confident84.9Confident124 Ų12457.3 Ų57.361%0.61132%0.316SS*.  0-680-68-51.4-174.600113.4M3 H4 T5 Q59 V61M1-M3 PolarHBondContact O-N 2.87Å; M1-H4 WeakPolarHBondContact O-CB 3.39Å; M1-H4 PolarHBondContact O-N 3.04Å; M1-T5 PolarHBondContact O-N 3.29Å; M1-T5 VanDerWaalsContact O-N 3.12Å; M1-Q59 HydrophobicContact CE-CG 4.36Å; M1-V61 HydrophobicContact SD-CG2 4.19Å
2T82.1Confident85Confident115 Ų11554.8 Ų54.871%0.70630%0.301SS*.Hα-helixtrans-57.9-42.6-176.952.20000113.7H4 T5 T6T2-H4 VanDerWaalsContact C-N 3.28Å; T2-H4 PolarHBondContact O-N 2.87Å; T2-T5 PolarHBondContact O-N 2.84Å; T2-T5 PolarHBondContact O-OG1 2.92Å; T2-T6 VanDerWaalsContact O-CG2 3.27Å; T2-T6 WeakPolarHBondContact O-CG2 3.49Å; T2-T6 PolarHBondContact O-N 3.3Å; T2-T6 PolarHBondContact O-OG1 2.82Å; T2-T6 VanDerWaalsContact O-OG1 3.06Å
3M83.3Confident85.4Confident86 Ų8656.4 Ų56.442%0.42431%0.314SS..Hα-helixtrans-64.9-32.1176.9-165.3178.7-173.300113M1 T6 M7 F49M1-M3 PolarHBondContact O-N 2.87Å; M3-T6 WeakPolarHBondContact CA-OG1 3.27Å; M3-T6 PolarHBondContact O-OG1 3.21Å; M3-T6 VanDerWaalsContact O-OG1 3.13Å; M3-M7 HydrophobicContact CE-CE 4.03Å; M3-M7 HydrophobicContact CG-CG 4.43Å; M3-M7 WeakPolarHBondContact O-CB 3.47Å; M3-M7 WeakPolarHBondContact O-CG 3.24Å; M3-M7 PolarHBondContact O-N 3.26Å; M3-M7 VanDerWaalsContact O-N 3.11Å; M3-F49 HydrophobicContact CE-CD1 4.3Å; M3-F49 HydrophobicContact CE-CD2 4.32Å; M3-F49 HydrophobicContact CE-CE1 3.52Å; M3-F49 HydrophobicContact CE-CE2 3.54Å; M3-F49 HydrophobicContact CE-CZ 3.1Å; M3-F49 HydrophobicContact CG-CD1 4.46Å; M3-F49 HydrophobicContact CG-CE1 3.6Å; M3-F49 HydrophobicContact CG-CZ 4.06Å; M3-F49 HydrophobicContact SD-CE1 3.46Å; M3-F49 WeakPolarHBondContact SD-CE1 3.48Å; M3-F49 HydrophobicContact SD-CE2 4.25Å; M3-F49 HydrophobicContact SD-CZ 3.25Å; M3-F49 WeakPolarHBondContact SD-CZ 3.49Å
4H82.4Confident85.9Confident6 Ų653.9 Ų53.93%0.02830%0.302CS..Hα-helixtrans-69.3-48.7178.4-172.3-0.4000110.3M1 T2 T8 P50 M87M1-H4 WeakPolarHBondContact O-CB 3.39Å; M1-H4 PolarHBondContact O-N 3.04Å; T2-H4 VanDerWaalsContact C-N 3.28Å; T2-H4 PolarHBondContact O-N 2.87Å; H4-T8 WeakPolarHBondContact ND1-CG2 3.3Å; H4-T8 WeakPolarHBondContact O-CG2 3.35Å; H4-T8 PolarHBondContact O-N 3.25Å; H4-T8 PolarHBondContact O-OG1 3.43Å; H4-T8 VanDerWaalsContact O-OG1 3.07Å; H4-P50 WeakPolarHBondContact CE1-CB 3.29Å; H4-P50 WeakPolarHBondContact ND1-CB 3.39Å; H4-M87 WeakPolarHBondContact CE1-CE 3.41Å
5T84.2Confident86.4Confident43 Ų4350.4 Ų50.426%0.26428%0.283SS..Hα-helixtrans-65-45179.656.40000111.1M1 T2 M7 T8 T9 V61 I63M1-T5 PolarHBondContact O-N 3.29Å; M1-T5 VanDerWaalsContact O-N 3.12Å; T2-T5 PolarHBondContact O-N 2.84Å; T2-T5 PolarHBondContact O-OG1 2.92Å; T5-M7 PolarHBondContact O-N 3.2Å; T5-T8 WeakPolarHBondContact CA-OG1 3.27Å; T5-T8 PolarHBondContact O-N 3.41Å; T5-T8 PolarHBondContact O-OG1 3.46Å; T5-T9 WeakPolarHBondContact O-CG2 3.5Å; T5-T9 PolarHBondContact O-N 3.09Å; T5-T9 PolarHBondContact O-OG1 2.99Å; T5-V61 HydrophobicContact CG2-CG1 4.02Å; T5-I63 HydrophobicContact CG2-CD1 3.81Å; T5-I63 HydrophobicContact CG2-CG1 4.01Å
6T87.1Confident86.8Confident75 Ų7552 Ų5246%0.4629%0.289SS..Hα-helixtrans-60.6-47.6178.2560000112T2 M3 T8 T9 L10T2-T6 VanDerWaalsContact O-CG2 3.27Å; T2-T6 WeakPolarHBondContact O-CG2 3.49Å; T2-T6 PolarHBondContact O-N 3.3Å; T2-T6 PolarHBondContact O-OG1 2.82Å; T2-T6 VanDerWaalsContact O-OG1 3.06Å; M3-T6 WeakPolarHBondContact CA-OG1 3.27Å; M3-T6 PolarHBondContact O-OG1 3.21Å; M3-T6 VanDerWaalsContact O-OG1 3.13Å; T6-T8 VanDerWaalsContact C-N 3.33Å; T6-T8 PolarHBondContact O-N 2.83Å; T6-T9 WeakPolarHBondContact CA-OG1 3.34Å; T6-T9 PolarHBondContact O-N 3.02Å; T6-T9 PolarHBondContact O-OG1 3.2Å; T6-L10 VanDerWaalsContact O-CB 3.26Å; T6-L10 WeakPolarHBondContact O-CB 3.47Å; T6-L10 PolarHBondContact O-N 3.24Å
7M87.5Confident87.1Confident52 Ų5252.1 Ų52.126%0.25629%0.292SS..Hα-helixtrans-63-38.9179.4-70.1-64.3-177.800112.1M3 T5 L10 T11 I46 F49M3-M7 HydrophobicContact CE-CE 4.03Å; M3-M7 HydrophobicContact CG-CG 4.43Å; M3-M7 WeakPolarHBondContact O-CB 3.47Å; M3-M7 WeakPolarHBondContact O-CG 3.24Å; M3-M7 PolarHBondContact O-N 3.26Å; M3-M7 VanDerWaalsContact O-N 3.11Å; T5-M7 PolarHBondContact O-N 3.2Å; M7-L10 PolarHBondContact O-N 3.41Å; M7-T11 WeakPolarHBondContact O-CG2 3.32Å; M7-T11 PolarHBondContact O-N 2.91Å; M7-I46 HydrophobicContact SD-CG2 4.18Å; M7-F49 HydrophobicContact CB-CD1 4.23Å; M7-F49 HydrophobicContact CG-CD1 3.7Å; M7-F49 HydrophobicContact CG-CE1 4.38Å; M7-F49 HydrophobicContact CG-CG 4.29Å
8T84.9Confident87.3Confident5 Ų549.2 Ų49.23%0.03128%0.276CS..Hα-helixtrans-71.4-36.9177.558.10000113.3H4 T5 T6 L10 T11 L12 P50 I63 L82 M87H4-T8 WeakPolarHBondContact ND1-CG2 3.3Å; H4-T8 WeakPolarHBondContact O-CG2 3.35Å; H4-T8 PolarHBondContact O-N 3.25Å; H4-T8 PolarHBondContact O-OG1 3.43Å; H4-T8 VanDerWaalsContact O-OG1 3.07Å; T5-T8 WeakPolarHBondContact CA-OG1 3.27Å; T5-T8 PolarHBondContact O-N 3.41Å; T5-T8 PolarHBondContact O-OG1 3.46Å; T6-T8 VanDerWaalsContact C-N 3.33Å; T6-T8 PolarHBondContact O-N 2.83Å; T8-L10 PolarHBondContact O-N 2.94Å; T8-T11 PolarHBondContact O-N 3.44Å; T8-T11 PolarHBondContact O-OG1 3.34Å; T8-L12 PolarHBondContact O-N 2.92Å; T8-P50 HydrophobicContact CG2-CB 3.48Å; T8-P50 VanDerWaalsContact CG2-CB 3.48Å; T8-P50 HydrophobicContact CG2-CG 3.89Å; T8-I63 VanDerWaalsContact OG1-CD1 3.32Å; T8-I63 WeakPolarHBondContact OG1-CD1 3.32Å; T8-L82 HydrophobicContact CG2-CD1 3.6Å; T8-L82 HydrophobicContact CG2-CD2 4.17Å; T8-L82 WeakPolarHBondContact OG1-CD1 3.37Å; T8-M87 HydrophobicContact CG2-CE 4.13Å
9T87.5Confident87.5Confident43 Ų4348.4 Ų48.426%0.26427%0.271SS..Hα-helixtrans-64.1-38.5170.655.40000110.2T5 T6 L12 T13 I63T5-T9 WeakPolarHBondContact O-CG2 3.5Å; T5-T9 PolarHBondContact O-N 3.09Å; T5-T9 PolarHBondContact O-OG1 2.99Å; T6-T9 WeakPolarHBondContact CA-OG1 3.34Å; T6-T9 PolarHBondContact O-N 3.02Å; T6-T9 PolarHBondContact O-OG1 3.2Å; T9-L12 PolarHBondContact O-N 2.93Å; T9-T13 VanDerWaalsContact O-CG2 3.31Å; T9-T13 WeakPolarHBondContact O-CG2 2.93Å; T9-T13 PolarHBondContact O-N 3.43Å; T9-T13 PolarHBondContact O-OG1 2.67Å; T9-T13 VanDerWaalsContact O-OG1 3.04Å; T9-I63 HydrophobicContact CG2-CD1 4.49Å
10L90.5Very high87.5Confident76 Ų7650.5 Ų50.540%0.39828%0.281SS..Hα-helixtrans-68.4-36.2-179.8-163.2144.9000112.2T6 M7 T8 L12 S14 I46T6-L10 VanDerWaalsContact O-CB 3.26Å; T6-L10 WeakPolarHBondContact O-CB 3.47Å; T6-L10 PolarHBondContact O-N 3.24Å; M7-L10 PolarHBondContact O-N 3.41Å; T8-L10 PolarHBondContact O-N 2.94Å; L10-L12 VanDerWaalsContact C-N 3.34Å; L10-L12 PolarHBondContact O-N 2.99Å; L10-S14 WeakPolarHBondContact O-CB 3.28Å; L10-S14 PolarHBondContact O-N 2.62Å; L10-S14 PolarHBondContact O-OG 2.66Å; L10-I46 HydrophobicContact CD2-CB 4.32Å; L10-I46 HydrophobicContact CD2-CD1 3.32Å; L10-I46 HydrophobicContact CD2-CG1 3.95Å; L10-I46 HydrophobicContact CD2-CG2 3.58Å
11T89.1Confident87.4Confident5 Ų550.5 Ų50.53%0.03128%0.283CS..Hα-helixtrans-61.2-42.2173.456.30000111.9M7 T8 S14 I46 S47M7-T11 WeakPolarHBondContact O-CG2 3.32Å; M7-T11 PolarHBondContact O-N 2.91Å; T8-T11 PolarHBondContact O-N 3.44Å; T8-T11 PolarHBondContact O-OG1 3.34Å; T11-S14 PolarHBondContact O-OG 3.42Å; T11-S14 VanDerWaalsContact O-OG 3.12Å; T11-I46 HydrophobicContact CG2-CB 4.17Å; T11-I46 HydrophobicContact CG2-CG2 3.61Å; T11-S47 VanDerWaalsContact CG2-CA 3.48Å
12L86.7Confident87.9Confident27 Ų2745.9 Ų45.914%0.14126%0.261CS..Hα-helixtrans-72.8-43.3179.7-65.9174.6000111.8T8 T9 L10 F80 L129 T133T8-L12 PolarHBondContact O-N 2.92Å; T9-L12 PolarHBondContact O-N 2.93Å; L10-L12 VanDerWaalsContact C-N 3.34Å; L10-L12 PolarHBondContact O-N 2.99Å; L12-F80 HydrophobicContact CD1-CD1 3.81Å; L12-F80 HydrophobicContact CD1-CD2 4.23Å; L12-F80 HydrophobicContact CD1-CE1 3.64Å; L12-F80 HydrophobicContact CD1-CE2 4.08Å; L12-F80 HydrophobicContact CD1-CG 4.08Å; L12-F80 HydrophobicContact CD1-CZ 3.77Å; L12-L129 HydrophobicContact CD2-CB 4.08Å; L12-T133 HydrophobicContact CD2-CG2 4.45Å
13T90Very high88Confident76 Ų7646.6 Ų46.647%0.46626%0.26SS..Hα-helixtrans-76.6-28.2-176.159.70000113.3T9 L15 I16 P17T9-T13 VanDerWaalsContact O-CG2 3.31Å; T9-T13 WeakPolarHBondContact O-CG2 2.93Å; T9-T13 PolarHBondContact O-N 3.43Å; T9-T13 PolarHBondContact O-OG1 2.67Å; T9-T13 VanDerWaalsContact O-OG1 3.04Å; T13-L15 PolarHBondContact O-N 2.93Å; T13-L15 VanDerWaalsContact O-N 3.17Å; T13-I16 WeakPolarHBondContact O-CB 3.49Å; T13-I16 PolarHBondContact O-N 3.28Å; T13-I16 VanDerWaalsContact O-N 3.1Å; T13-P17 VanDerWaalsContact O-CD 3.26Å; T13-P17 WeakPolarHBondContact O-CD 3.1Å
14S93Very high88Confident22 Ų2248.6 Ų48.615%0.15427%0.271CS..THydrogen-bonded Turntrans-65.9-15.6-17850.20000114.3L10 T11 P17 I39 T43L10-S14 WeakPolarHBondContact O-CB 3.28Å; L10-S14 PolarHBondContact O-N 2.62Å; L10-S14 PolarHBondContact O-OG 2.66Å; T11-S14 PolarHBondContact O-OG 3.42Å; T11-S14 VanDerWaalsContact O-OG 3.12Å; S14-P17 WeakPolarHBondContact O-CD 3.17Å; S14-I39 VanDerWaalsContact O-CG2 3.22Å; S14-I39 WeakPolarHBondContact O-CG2 3.39Å; S14-T43 WeakPolarHBondContact OG-CG2 3.48Å
15L93.3Very high87.7Confident1 Ų152.5 Ų52.51%0.00529%0.292CS..THydrogen-bonded Turntrans-84.5-12.8174.4-64.5173.4000114.1T13 P18 I39 V40 T43 L94 L122 L125 I126 L129T13-L15 PolarHBondContact O-N 2.93Å; T13-L15 VanDerWaalsContact O-N 3.17Å; L15-P18 WeakPolarHBondContact O-CD 3.28Å; L15-I39 HydrophobicContact CD2-CG2 4.37Å; L15-V40 HydrophobicContact CD2-CG2 4.12Å; L15-T43 HydrophobicContact CD2-CG2 3.58Å; L15-T43 HydrophobicContact CG-CG2 3.95Å; L15-L94 HydrophobicContact CD1-CD2 4.38Å; L15-L122 HydrophobicContact CB-CD1 4.35Å; L15-L122 HydrophobicContact CD2-CD1 3.92Å; L15-L125 HydrophobicContact CD1-CD2 3.97Å; L15-L125 HydrophobicContact CD1-CG 4.2Å; L15-L125 HydrophobicContact CD2-CD2 4.01Å; L15-I126 HydrophobicContact CB-CD1 3.92Å; L15-I126 HydrophobicContact CB-CG1 3.8Å; L15-I126 HydrophobicContact CD1-CG1 4.17Å; L15-L129 HydrophobicContact CD1-CD1 3.24Å
16I92.3Very high86.9Confident76 Ų7654.8 Ų54.839%0.3931%0.308SS..Hα-helixtrans-76-40.6-177.6-58173.3000113.5T13 P18 I19 L20T13-I16 WeakPolarHBondContact O-CB 3.49Å; T13-I16 PolarHBondContact O-N 3.28Å; T13-I16 VanDerWaalsContact O-N 3.1Å; I16-P18 VanDerWaalsContact C-CD 3.47Å; I16-I19 WeakPolarHBondContact O-CB 3.16Å; I16-I19 PolarHBondContact O-N 2.99Å; I16-L20 HydrophobicContact CG2-CD1 3.9Å; I16-L20 HydrophobicContact CG2-CG 4.03Å; I16-L20 PolarHBondContact O-N 3.28Å
17P91.2Very high85.7Confident53 Ų5357.9 Ų57.934%0.34432%0.322SS..Hα-helixtrans-51.4-45-176.7-26.231.8000115.3T13 S14 I19 L20 T21T13-P17 VanDerWaalsContact O-CD 3.26Å; T13-P17 WeakPolarHBondContact O-CD 3.1Å; S14-P17 WeakPolarHBondContact O-CD 3.17Å; P17-I19 VanDerWaalsContact C-N 3.27Å; P17-I19 PolarHBondContact O-N 3.19Å; P17-L20 WeakPolarHBondContact O-CB 3.25Å; P17-L20 PolarHBondContact O-N 3.1Å; P17-L20 VanDerWaalsContact O-N 3.13Å; P17-T21 WeakPolarHBondContact O-CG2 3.17Å; P17-T21 PolarHBondContact O-N 3.16Å
18P90.6Very high84.3Confident0 Ų063 Ų630%034%0.342CS..Hα-helixtrans-58.8-37.6177.5-12.219.6000113.5L15 I16 T21 T22 Y32 Y35 V36 I39 L122L15-P18 WeakPolarHBondContact O-CD 3.28Å; I16-P18 VanDerWaalsContact C-CD 3.47Å; P18-T21 PolarHBondContact O-N 3.02Å; P18-T21 PolarHBondContact O-OG1 3.41Å; P18-T22 PolarHBondContact O-N 3.36Å; P18-Y32 HydrophobicContact CB-CE2 4.16Å; P18-Y35 HydrophobicContact CB-CD1 4.3Å; P18-Y35 HydrophobicContact CB-CE1 3.94Å; P18-Y35 HydrophobicContact CG-CE1 4.16Å; P18-V36 HydrophobicContact CB-CG2 3.99Å; P18-I39 HydrophobicContact CG-CB 4.38Å; P18-I39 HydrophobicContact CG-CD1 3.56Å; P18-I39 HydrophobicContact CG-CG2 4.08Å; P18-L122 HydrophobicContact CB-CD2 3.53Å; P18-L122 HydrophobicContact CG-CD2 3.7Å
19I91.1Very high83.2Confident35 Ų3571.3 Ų71.318%0.17938%0.378CS..Hα-helixtrans-64.6-45.8177-61175.6000110I16 P17 T21 T22 L23 L122 I123 I126I16-I19 WeakPolarHBondContact O-CB 3.16Å; I16-I19 PolarHBondContact O-N 2.99Å; P17-I19 VanDerWaalsContact C-N 3.27Å; P17-I19 PolarHBondContact O-N 3.19Å; I19-T21 VanDerWaalsContact C-N 3.28Å; I19-T21 PolarHBondContact O-N 3.19Å; I19-T22 PolarHBondContact O-N 3.39Å; I19-T22 VanDerWaalsContact O-N 3.12Å; I19-T22 PolarHBondContact O-OG1 2.93Å; I19-L23 PolarHBondContact O-N 3.34Å; I19-L122 HydrophobicContact CD1-CD2 4.3Å; I19-L122 HydrophobicContact CD1-CG 4.38Å; I19-L122 HydrophobicContact CG1-CD2 3.72Å; I19-L122 HydrophobicContact CG1-CG 4.29Å; I19-I123 HydrophobicContact CD1-CG1 3.71Å; I19-I123 HydrophobicContact CG1-CG1 4.31Å; I19-I126 HydrophobicContact CD1-CD1 3.26Å; I19-I126 HydrophobicContact CG1-CD1 4.44Å
20L88.9Confident81.9Confident89 Ų8976.1 Ų76.147%0.46640%0.402SS..Hα-helixtrans-59.7-38.9176.4-65.2173.8000111.9I16 P17 T22 L23 I24I16-L20 HydrophobicContact CG2-CD1 3.9Å; I16-L20 HydrophobicContact CG2-CG 4.03Å; I16-L20 PolarHBondContact O-N 3.28Å; P17-L20 WeakPolarHBondContact O-CB 3.25Å; P17-L20 PolarHBondContact O-N 3.1Å; P17-L20 VanDerWaalsContact O-N 3.13Å; L20-T22 VanDerWaalsContact C-N 3.27Å; L20-T22 PolarHBondContact O-N 3.31Å; L20-L23 HydrophobicContact CD2-CD1 4.32Å; L20-L23 WeakPolarHBondContact O-CB 3.29Å; L20-L23 PolarHBondContact O-N 3.28Å; L20-L23 VanDerWaalsContact O-N 3.09Å; L20-I24 WeakPolarHBondContact O-CG1 3.44Å; L20-I24 PolarHBondContact O-N 2.96Å; L20-I24 VanDerWaalsContact O-N 3.15Å
21T85.8Confident81.4Confident52 Ų5276.5 Ų76.532%0.31941%0.411SS..Hα-helixtrans-61-36.1177.167.30000112.8P17 P18 I19 L23 I24 N25 Y35P17-T21 WeakPolarHBondContact O-CG2 3.17Å; P17-T21 PolarHBondContact O-N 3.16Å; P18-T21 PolarHBondContact O-N 3.02Å; P18-T21 PolarHBondContact O-OG1 3.41Å; I19-T21 VanDerWaalsContact C-N 3.28Å; I19-T21 PolarHBondContact O-N 3.19Å; T21-L23 VanDerWaalsContact C-N 3.3Å; T21-L23 PolarHBondContact O-N 3.43Å; T21-I24 PolarHBondContact O-N 3.45Å; T21-N25 PolarHBondContact O-N 2.96Å; T21-Y35 HydrophobicContact CG2-CE1 4.09Å
22T84.6Confident81.4Confident26 Ų2677.2 Ų77.216%0.1641%0.414CS..Hα-helixtrans-69.6-26.217766.50000113.4P18 I19 L20 Y32 K119P18-T22 PolarHBondContact O-N 3.36Å; I19-T22 PolarHBondContact O-N 3.39Å; I19-T22 VanDerWaalsContact O-N 3.12Å; I19-T22 PolarHBondContact O-OG1 2.93Å; L20-T22 VanDerWaalsContact C-N 3.27Å; L20-T22 PolarHBondContact O-N 3.31Å; T22-Y32 HydrophobicContact CG2-CD2 4.17Å; T22-Y32 HydrophobicContact CG2-CE1 4.17Å; T22-Y32 HydrophobicContact CG2-CE2 3.38Å; T22-Y32 WeakPolarHBondContact CG2-OH 3.1Å; T22-K119 HydrophobicContact CG2-CD 4.18Å; T22-K119 HydrophobicContact CG2-CG 4.48Å; T22-K119 WeakPolarHBondContact OG1-CD 3.46Å
23L83.9Confident81.7Confident131 Ų13176.2 Ų76.269%0.68641%0.409SS*.Hα-helixtrans-75.6-37.7175.5-65.9171.8000111.6I19 L20 T21I19-L23 PolarHBondContact O-N 3.34Å; L20-L23 HydrophobicContact CD2-CD1 4.32Å; L20-L23 WeakPolarHBondContact O-CB 3.29Å; L20-L23 PolarHBondContact O-N 3.28Å; L20-L23 VanDerWaalsContact O-N 3.09Å; T21-L23 VanDerWaalsContact C-N 3.3Å; T21-L23 PolarHBondContact O-N 3.43Å
24I82.6Confident81.8Confident127 Ų12777.7 Ų77.765%0.65141%0.41SS*.Hα-helixtrans-77.6-44.6-177.6-62164.9000111.1L20 T21L20-I24 WeakPolarHBondContact O-CG1 3.44Å; L20-I24 PolarHBondContact O-N 2.96Å; L20-I24 VanDerWaalsContact O-N 3.15Å; T21-I24 PolarHBondContact O-N 3.45Å
25N76.8Confident81.8Confident88 Ų8880.8 Ų80.847%0.47142%0.419SS..  trans-133.681.3-175-79.4-37.2000111.1T21 N27T21-N25 PolarHBondContact O-N 2.96Å; N25-N27 PolarHBondContact O-N 3.3Å
26P67.1Low81.8Confident92 Ų9280.8 Ų80.860%0.59742%0.419SS*.THydrogen-bonded Turntrans-64.7-23.3-17825.8-34.4000113.2
27N61.4Low82Confident139 Ų13979 Ų7974%0.74341%0.409SS*.THydrogen-bonded Turntrans-105.41.4-165.7-68.5-9.3000115.6N25 K29N25-N27 PolarHBondContact O-N 3.3Å; N27-K29 PolarHBondContact O-N 3.5Å
28K58.5Low82.2Confident160 Ų16079.6 Ų79.670%0.69641%0.413SS*.  trans-77.6124.4179.3-84.6-170.8178.5-179.90111.8
29K61.4Low82.4Confident179 Ų17980.5 Ų80.578%0.77842%0.418SS*.  trans-90.7145.8-166.7-72.7174.7175.6177.70112.8N27N27-K29 PolarHBondContact O-N 3.5Å
30N60.3Low82.7Confident144 Ų14478.9 Ų78.977%0.7741%0.41SS*.SBendtrans87.1-34.8160.4-59.12.8000120.6
31S80.6Confident83Confident84 Ų8475.4 Ų75.459%0.58739%0.394SS*.SBendtrans-104.6-5-174.262.90000116.3H34 Y35S31-H34 PolarHBondContact O-N 3.09Å; S31-Y35 PolarHBondContact O-N 2.7Å
32Y89.8Confident83.5Confident21 Ų2175.3 Ų75.38%0.08240%0.396CS..Hα-helixtrans-59-46.3-176.7177.2-97.9000113.8P18 T22 H34 Y35 V36 N115 F118P18-Y32 HydrophobicContact CB-CE2 4.16Å; T22-Y32 HydrophobicContact CG2-CD2 4.17Å; T22-Y32 HydrophobicContact CG2-CE1 4.17Å; T22-Y32 HydrophobicContact CG2-CE2 3.38Å; T22-Y32 WeakPolarHBondContact CG2-OH 3.1Å; Y32-H34 VanDerWaalsContact C-N 3.3Å; Y32-H34 PolarHBondContact O-N 3.14Å; Y32-Y35 HydrophobicContact CD2-CD1 4.39Å; Y32-Y35 WeakPolarHBondContact O-CB 3.39Å; Y32-Y35 PolarHBondContact O-N 2.85Å; Y32-Y35 VanDerWaalsContact O-N 3.1Å; Y32-V36 HydrophobicContact CD1-CG2 4.02Å; Y32-V36 HydrophobicContact CD2-CG2 4.17Å; Y32-V36 HydrophobicContact CE1-CG2 3.51Å; Y32-V36 HydrophobicContact CE2-CG2 3.67Å; Y32-V36 HydrophobicContact CG-CG2 4.33Å; Y32-V36 WeakPolarHBondContact O-CG2 3.07Å; Y32-V36 PolarHBondContact O-N 3.25Å; Y32-N115 HydrophobicContact CD1-CB 3.96Å; Y32-N115 WeakPolarHBondContact CE1-O 3.23Å; Y32-F118 HydrophobicContact CD1-CB 4.36Å; Y32-F118 HydrophobicContact CE1-CB 3.9Å
33P92.1Very high84Confident6 Ų674.1 Ų74.14%0.03939%0.388CS..Hα-helixtrans-60.7-38.7179.1-27.940.2000113K37 L105 I114 N115 F118P33-K37 WeakPolarHBondContact O-CB 3.44Å; P33-K37 PolarHBondContact O-N 3.01Å; P33-L105 HydrophobicContact CB-CD2 3.26Å; P33-L105 HydrophobicContact CG-CD2 4.45Å; P33-I114 HydrophobicContact CG-CD1 4.37Å; P33-I114 HydrophobicContact CG-CG1 4.26Å; P33-I114 HydrophobicContact CG-CG2 4.23Å; P33-N115 WeakPolarHBondContact CD-OD1 3.33Å; P33-N115 WeakPolarHBondContact CG-OD1 3.26Å; P33-F118 HydrophobicContact CB-CD1 4.13Å; P33-F118 HydrophobicContact CB-CD2 3.89Å; P33-F118 HydrophobicContact CB-CE1 3.99Å; P33-F118 HydrophobicContact CB-CE2 3.75Å; P33-F118 HydrophobicContact CB-CG 4.08Å; P33-F118 HydrophobicContact CB-CZ 3.78Å; P33-F118 HydrophobicContact CG-CD2 4.19Å; P33-F118 HydrophobicContact CG-CE2 4.34Å
34H92.8Very high84.6Confident106 Ų10669.3 Ų69.349%0.49136%0.362SS..Hα-helixtrans-67.4-38.4174.7-71.8-71.6000112.5S31 Y32 K37 S38S31-H34 PolarHBondContact O-N 3.09Å; Y32-H34 VanDerWaalsContact C-N 3.3Å; Y32-H34 PolarHBondContact O-N 3.14Å; H34-K37 PolarHBondContact O-N 3.41Å; H34-S38 PolarHBondContact O-N 3.47Å; H34-S38 PolarHBondContact O-OG 3.48Å
35Y92.5Very high85.3Confident88 Ų8868.8 Ų68.835%0.34536%0.359SS..Hα-helixtrans-64.2-44175173.4-116.4000112.3P18 T21 S31 Y32 S38 I39P18-Y35 HydrophobicContact CB-CD1 4.3Å; P18-Y35 HydrophobicContact CB-CE1 3.94Å; P18-Y35 HydrophobicContact CG-CE1 4.16Å; T21-Y35 HydrophobicContact CG2-CE1 4.09Å; S31-Y35 PolarHBondContact O-N 2.7Å; Y32-Y35 HydrophobicContact CD2-CD1 4.39Å; Y32-Y35 WeakPolarHBondContact O-CB 3.39Å; Y32-Y35 PolarHBondContact O-N 2.85Å; Y32-Y35 VanDerWaalsContact O-N 3.1Å; Y35-S38 PolarHBondContact O-N 3.03Å; Y35-S38 PolarHBondContact O-OG 2.96Å; Y35-I39 HydrophobicContact CD1-CD1 4.22Å; Y35-I39 HydrophobicContact CD2-CD1 3.9Å; Y35-I39 HydrophobicContact CD2-CG1 4.45Å; Y35-I39 HydrophobicContact CE1-CD1 3.66Å; Y35-I39 HydrophobicContact CE2-CD1 3.28Å; Y35-I39 HydrophobicContact CE2-CG1 4.11Å; Y35-I39 HydrophobicContact CG-CD1 4.34Å; Y35-I39 PolarHBondContact O-N 3.35Å; Y35-I39 VanDerWaalsContact OH-CD1 3.31Å; Y35-I39 WeakPolarHBondContact OH-CD1 3.39Å
36V94.4Very high86.1Confident0 Ų066.4 Ų66.40%035%0.346CS..Hα-helixtrans-63.5-44.4175-177.50000110.4P18 Y32 S38 I39 V40 M101 F118 L122P18-V36 HydrophobicContact CB-CG2 3.99Å; Y32-V36 HydrophobicContact CD1-CG2 4.02Å; Y32-V36 HydrophobicContact CD2-CG2 4.17Å; Y32-V36 HydrophobicContact CE1-CG2 3.51Å; Y32-V36 HydrophobicContact CE2-CG2 3.67Å; Y32-V36 HydrophobicContact CG-CG2 4.33Å; Y32-V36 WeakPolarHBondContact O-CG2 3.07Å; Y32-V36 PolarHBondContact O-N 3.25Å; V36-S38 PolarHBondContact O-N 3.23Å; V36-I39 PolarHBondContact O-N 2.83Å; V36-V40 HydrophobicContact CG1-CG2 4.42Å; V36-V40 WeakPolarHBondContact O-CG2 3.46Å; V36-V40 PolarHBondContact O-N 3.09Å; V36-M101 HydrophobicContact CG1-CE 3.5Å; V36-M101 VanDerWaalsContact CG1-CE 3.5Å; V36-F118 HydrophobicContact CB-CD1 4.22Å; V36-F118 HydrophobicContact CG1-CD1 4.4Å; V36-L122 HydrophobicContact CG1-CB 4.33Å; V36-L122 HydrophobicContact CG1-CD1 4.25Å; V36-L122 HydrophobicContact CG1-CD2 4.17Å
37K95.4Very high87.5Confident40 Ų4062.1 Ų62.117%0.17432%0.318CS..Hα-helixtrans-56.4-47.8175.9176.8-164.9165-175.40111.7P33 H34 I39 V40 A41 E102 L105P33-K37 WeakPolarHBondContact O-CB 3.44Å; P33-K37 PolarHBondContact O-N 3.01Å; H34-K37 PolarHBondContact O-N 3.41Å; K37-I39 VanDerWaalsContact C-N 3.32Å; K37-I39 PolarHBondContact O-N 2.85Å; K37-V40 PolarHBondContact O-N 2.99Å; K37-A41 WeakPolarHBondContact O-CB 3.36Å; K37-A41 PolarHBondContact O-N 3.22Å; K37-E102 HydrophobicContact CD-CB 4.14Å; K37-E102 HydrophobicContact CD-CG 4.29Å; K37-E102 IonicContact NZ-OE1 3.53Å; K37-E102 PolarHBondContact NZ-OE1 3.41Å; K37-E102 IonicContact NZ-OE2 2.72Å; K37-L105 HydrophobicContact CD-CD1 3.97Å
38S95.1Very high89Confident64 Ų6458.8 Ų58.845%0.44830%0.3SS..Hα-helixtrans-66.9-34.8-177.762.20000112.2H34 Y35 V36 A41 S42H34-S38 PolarHBondContact O-N 3.47Å; H34-S38 PolarHBondContact O-OG 3.48Å; Y35-S38 PolarHBondContact O-N 3.03Å; Y35-S38 PolarHBondContact O-OG 2.96Å; V36-S38 PolarHBondContact O-N 3.23Å; S38-A41 PolarHBondContact O-N 3.16Å; S38-S42 PolarHBondContact O-N 3.45Å; S38-S42 PolarHBondContact O-OG 3.4Å
39I95.6Very high90.6Very high20 Ų2054.3 Ų54.310%0.10328%0.281CS..Hα-helixtrans-66.1-48.2173.8-76.5174.2000111.3S14 L15 P18 Y35 V36 K37 A41 S42 T43S14-I39 VanDerWaalsContact O-CG2 3.22Å; S14-I39 WeakPolarHBondContact O-CG2 3.39Å; L15-I39 HydrophobicContact CD2-CG2 4.37Å; P18-I39 HydrophobicContact CG-CB 4.38Å; P18-I39 HydrophobicContact CG-CD1 3.56Å; P18-I39 HydrophobicContact CG-CG2 4.08Å; Y35-I39 HydrophobicContact CD1-CD1 4.22Å; Y35-I39 HydrophobicContact CD2-CD1 3.9Å; Y35-I39 HydrophobicContact CD2-CG1 4.45Å; Y35-I39 HydrophobicContact CE1-CD1 3.66Å; Y35-I39 HydrophobicContact CE2-CD1 3.28Å; Y35-I39 HydrophobicContact CE2-CG1 4.11Å; Y35-I39 HydrophobicContact CG-CD1 4.34Å; Y35-I39 PolarHBondContact O-N 3.35Å; Y35-I39 VanDerWaalsContact OH-CD1 3.31Å; Y35-I39 WeakPolarHBondContact OH-CD1 3.39Å; V36-I39 PolarHBondContact O-N 2.83Å; K37-I39 VanDerWaalsContact C-N 3.32Å; K37-I39 PolarHBondContact O-N 2.85Å; I39-A41 PolarHBondContact O-N 3.25Å; I39-S42 PolarHBondContact O-N 3.2Å; I39-S42 VanDerWaalsContact O-N 3.11Å; I39-S42 PolarHBondContact O-OG 2.98Å; I39-T43 HydrophobicContact CG2-CG2 4.01Å; I39-T43 WeakPolarHBondContact O-CG2 3.44Å; I39-T43 PolarHBondContact O-N 3.34Å; I39-T43 PolarHBondContact O-OG1 3.41Å
40V96.2Very high92Very high0 Ų046 Ų460%025%0.245CC..Hα-helixtrans-61.6-34.1177.3179.40000111.3L15 V36 K37 T43 F44 L94 W98 L122 L125L15-V40 HydrophobicContact CD2-CG2 4.12Å; V36-V40 HydrophobicContact CG1-CG2 4.42Å; V36-V40 WeakPolarHBondContact O-CG2 3.46Å; V36-V40 PolarHBondContact O-N 3.09Å; K37-V40 PolarHBondContact O-N 2.99Å; V40-T43 WeakPolarHBondContact CA-OG1 3.45Å; V40-T43 PolarHBondContact O-OG1 3.19Å; V40-F44 WeakPolarHBondContact O-CB 3.4Å; V40-F44 PolarHBondContact O-N 3.49Å; V40-L94 HydrophobicContact CG1-CD2 4.33Å; V40-W98 HydrophobicContact CG1-CB 4.05Å; V40-L122 HydrophobicContact CG2-CD1 4.26Å; V40-L125 HydrophobicContact CG1-CD2 4.33Å; V40-L125 HydrophobicContact CG2-CD2 4.17Å
41A96.5Very high93.5Very high17 Ų1739.8 Ų39.814%0.1421%0.212CC..Hα-helixtrans-67.3-41.8174.400000112.5K37 S38 I39 F44 I45 W98K37-A41 WeakPolarHBondContact O-CB 3.36Å; K37-A41 PolarHBondContact O-N 3.22Å; S38-A41 PolarHBondContact O-N 3.16Å; I39-A41 PolarHBondContact O-N 3.25Å; A41-F44 PolarHBondContact O-N 3.39Å; A41-I45 WeakPolarHBondContact O-CG1 3.31Å; A41-I45 PolarHBondContact O-N 3.47Å; A41-W98 HydrophobicContact CB-CD2 4.02Å; A41-W98 HydrophobicContact CB-CG 4.16Å; A41-W98 HydrophobicContact CB-CZ2 4.36Å
42S95.8Very high94Very high50 Ų5039.3 Ų39.335%0.3521%0.206SC..Hα-helixtrans-70-39176.6660000111.8S38 I39 F44 I45 I46S38-S42 PolarHBondContact O-N 3.45Å; S38-S42 PolarHBondContact O-OG 3.4Å; I39-S42 PolarHBondContact O-N 3.2Å; I39-S42 VanDerWaalsContact O-N 3.11Å; I39-S42 PolarHBondContact O-OG 2.98Å; S42-F44 VanDerWaalsContact C-N 3.3Å; S42-F44 PolarHBondContact O-N 3.25Å; S42-I45 PolarHBondContact O-N 2.76Å; S42-I45 VanDerWaalsContact O-N 3.15Å; S42-I46 WeakPolarHBondContact O-CD1 3.22Å; S42-I46 VanDerWaalsContact O-CG1 3.29Å; S42-I46 WeakPolarHBondContact O-CG1 3.3Å; S42-I46 PolarHBondContact O-N 3.07Å
43T96.1Very high94Very high0 Ų041 Ų410%022%0.215CC..Hα-helixtrans-62.6-37.5175.868.60000111.7S14 L15 I39 V40 I46 S47 L94S14-T43 WeakPolarHBondContact OG-CG2 3.48Å; L15-T43 HydrophobicContact CD2-CG2 3.58Å; L15-T43 HydrophobicContact CG-CG2 3.95Å; I39-T43 HydrophobicContact CG2-CG2 4.01Å; I39-T43 WeakPolarHBondContact O-CG2 3.44Å; I39-T43 PolarHBondContact O-N 3.34Å; I39-T43 PolarHBondContact O-OG1 3.41Å; V40-T43 WeakPolarHBondContact CA-OG1 3.45Å; V40-T43 PolarHBondContact O-OG1 3.19Å; T43-I46 PolarHBondContact O-N 2.95Å; T43-S47 WeakPolarHBondContact O-CB 3.19Å; T43-S47 PolarHBondContact O-N 3.15Å; T43-L94 WeakPolarHBondContact OG1-CD2 3.35Å
44F96.4Very high93.9Very high30 Ų3041 Ų4113%0.13222%0.215CC..Hα-helixtrans-58-50.1171.6168.5-107.4000111.3V40 A41 S42 I46 S47 L48 P91 L94 F95 W98V40-F44 WeakPolarHBondContact O-CB 3.4Å; V40-F44 PolarHBondContact O-N 3.49Å; A41-F44 PolarHBondContact O-N 3.39Å; S42-F44 VanDerWaalsContact C-N 3.3Å; S42-F44 PolarHBondContact O-N 3.25Å; F44-I46 VanDerWaalsContact C-N 3.32Å; F44-I46 PolarHBondContact O-N 3.38Å; F44-S47 PolarHBondContact O-N 3.42Å; F44-S47 VanDerWaalsContact O-N 3.09Å; F44-S47 PolarHBondContact O-OG 3.25Å; F44-L48 HydrophobicContact CE1-CD1 3.89Å; F44-L48 HydrophobicContact CE2-CD1 4.47Å; F44-L48 HydrophobicContact CE2-CD2 4.05Å; F44-L48 HydrophobicContact CE2-CG 4.3Å; F44-L48 HydrophobicContact CZ-CD1 3.84Å; F44-L48 HydrophobicContact CZ-CD2 4.04Å; F44-L48 HydrophobicContact CZ-CG 4.14Å; F44-L48 PolarHBondContact O-N 2.83Å; F44-P91 HydrophobicContact CD2-CB 4.28Å; F44-P91 WeakPolarHBondContact CD2-O 3.27Å; F44-P91 HydrophobicContact CE2-CB 4.01Å; F44-L94 HydrophobicContact CB-CB 3.99Å; F44-L94 HydrophobicContact CD2-CB 4.2Å; F44-F95 HydrophobicContact CD2-CB 3.98Å; F44-F95 HydrophobicContact CE1-CD2 4.02Å; F44-F95 HydrophobicContact CE2-CB 3.74Å; F44-F95 AromaticContact CE2-CD2 3.92Å; F44-F95 HydrophobicContact CE2-CD2 3.92Å; F44-F95 HydrophobicContact CE2-CG 4.3Å; F44-F95 HydrophobicContact CZ-CB 4.36Å; F44-F95 AromaticContact CZ-CD2 3.65Å; F44-F95 HydrophobicContact CZ-CD2 3.65Å; F44-F95 HydrophobicContact CZ-CE2 4.45Å; F44-F95 HydrophobicContact CZ-CG 4.44Å; F44-W98 HydrophobicContact CD1-CE3 4.29Å; F44-W98 HydrophobicContact CD1-CZ3 4.38Å
45I95.6Very high93.8Very high116 Ų11638.4 Ų38.460%0.59520%0.204SC*.Hα-helixtrans-60.5-43.8179.3-64.7166.3000110.8A41 S42 S47 L48A41-I45 WeakPolarHBondContact O-CG1 3.31Å; A41-I45 PolarHBondContact O-N 3.47Å; S42-I45 PolarHBondContact O-N 2.76Å; S42-I45 VanDerWaalsContact O-N 3.15Å; I45-S47 VanDerWaalsContact C-N 3.28Å; I45-S47 PolarHBondContact O-N 3.08Å; I45-L48 PolarHBondContact O-N 3.47Å
46I94.8Very high93.6Very high38 Ų3839.2 Ų39.220%0.19522%0.221CC..Hα-helixtrans-61.4-39.3176.6-64.7153.7000110.5M7 L10 T11 S42 T43 F44 L48 F49 P50M7-I46 HydrophobicContact SD-CG2 4.18Å; L10-I46 HydrophobicContact CD2-CB 4.32Å; L10-I46 HydrophobicContact CD2-CD1 3.32Å; L10-I46 HydrophobicContact CD2-CG1 3.95Å; L10-I46 HydrophobicContact CD2-CG2 3.58Å; T11-I46 HydrophobicContact CG2-CB 4.17Å; T11-I46 HydrophobicContact CG2-CG2 3.61Å; S42-I46 WeakPolarHBondContact O-CD1 3.22Å; S42-I46 VanDerWaalsContact O-CG1 3.29Å; S42-I46 WeakPolarHBondContact O-CG1 3.3Å; S42-I46 PolarHBondContact O-N 3.07Å; T43-I46 PolarHBondContact O-N 2.95Å; F44-I46 VanDerWaalsContact C-N 3.32Å; F44-I46 PolarHBondContact O-N 3.38Å; I46-L48 VanDerWaalsContact C-N 3.26Å; I46-L48 PolarHBondContact O-N 3.38Å; I46-F49 PolarHBondContact O-N 3.41Å; I46-P50 WeakPolarHBondContact O-CD 3.45Å
47S95.4Very high93.3Very high2 Ų243.5 Ų43.51%0.01424%0.243CC..Hα-helixtrans-67.8-21.5-179.7760000114.5T11 T43 F44 I45 F49 P50 T51T11-S47 VanDerWaalsContact CG2-CA 3.48Å; T43-S47 WeakPolarHBondContact O-CB 3.19Å; T43-S47 PolarHBondContact O-N 3.15Å; F44-S47 PolarHBondContact O-N 3.42Å; F44-S47 VanDerWaalsContact O-N 3.09Å; F44-S47 PolarHBondContact O-OG 3.25Å; I45-S47 VanDerWaalsContact C-N 3.28Å; I45-S47 PolarHBondContact O-N 3.08Å; S47-F49 VanDerWaalsContact C-N 3.26Å; S47-F49 PolarHBondContact O-N 3.11Å; S47-P50 WeakPolarHBondContact O-CD 3.29Å; S47-P50 VanDerWaalsContact O-CG 3.25Å; S47-P50 WeakPolarHBondContact O-CG 3.45Å; S47-T51 WeakPolarHBondContact O-CG2 3.16Å; S47-T51 PolarHBondContact O-N 2.94Å; S47-T51 PolarHBondContact O-OG1 2.93Å
48L93.5Very high93Very high69 Ų6945.7 Ų45.736%0.36126%0.257SS..Hα-helixtrans-68.6-27175.3-67.3174000112.6F44 I45 I46 T51 T52 P91F44-L48 HydrophobicContact CE1-CD1 3.89Å; F44-L48 HydrophobicContact CE2-CD1 4.47Å; F44-L48 HydrophobicContact CE2-CD2 4.05Å; F44-L48 HydrophobicContact CE2-CG 4.3Å; F44-L48 HydrophobicContact CZ-CD1 3.84Å; F44-L48 HydrophobicContact CZ-CD2 4.04Å; F44-L48 HydrophobicContact CZ-CG 4.14Å; F44-L48 PolarHBondContact O-N 2.83Å; I45-L48 PolarHBondContact O-N 3.47Å; I46-L48 VanDerWaalsContact C-N 3.26Å; I46-L48 PolarHBondContact O-N 3.38Å; L48-T51 VanDerWaalsContact C-OG1 3.3Å; L48-T51 VanDerWaalsContact CA-OG1 3.26Å; L48-T51 WeakPolarHBondContact CA-OG1 3.39Å; L48-T51 PolarHBondContact O-OG1 3.19Å; L48-T52 WeakPolarHBondContact O-CB 3.37Å; L48-T52 VanDerWaalsContact O-CG2 3.28Å; L48-T52 WeakPolarHBondContact O-CG2 3.25Å; L48-T52 PolarHBondContact O-N 3.31Å; L48-T52 PolarHBondContact O-OG1 3.08Å; L48-P91 HydrophobicContact CD2-CB 4.15Å
49F92.3Very high92.6Very high66 Ų6646.2 Ų46.229%0.28925%0.252SS..Hα-helixtrans-65.1-54.5178.6-168.1-87.1000113.1M3 M7 I46 S47 T51 T52 M53M3-F49 HydrophobicContact CE-CD1 4.3Å; M3-F49 HydrophobicContact CE-CD2 4.32Å; M3-F49 HydrophobicContact CE-CE1 3.52Å; M3-F49 HydrophobicContact CE-CE2 3.54Å; M3-F49 HydrophobicContact CE-CZ 3.1Å; M3-F49 HydrophobicContact CG-CD1 4.46Å; M3-F49 HydrophobicContact CG-CE1 3.6Å; M3-F49 HydrophobicContact CG-CZ 4.06Å; M3-F49 HydrophobicContact SD-CE1 3.46Å; M3-F49 WeakPolarHBondContact SD-CE1 3.48Å; M3-F49 HydrophobicContact SD-CE2 4.25Å; M3-F49 HydrophobicContact SD-CZ 3.25Å; M3-F49 WeakPolarHBondContact SD-CZ 3.49Å; M7-F49 HydrophobicContact CB-CD1 4.23Å; M7-F49 HydrophobicContact CG-CD1 3.7Å; M7-F49 HydrophobicContact CG-CE1 4.38Å; M7-F49 HydrophobicContact CG-CG 4.29Å; I46-F49 PolarHBondContact O-N 3.41Å; S47-F49 VanDerWaalsContact C-N 3.26Å; S47-F49 PolarHBondContact O-N 3.11Å; F49-T51 VanDerWaalsContact C-N 3.26Å; F49-T51 PolarHBondContact O-N 3.5Å; F49-T52 PolarHBondContact O-N 2.97Å; F49-T52 PolarHBondContact O-OG1 3.26Å; F49-M53 HydrophobicContact CD1-CG 4.16Å; F49-M53 HydrophobicContact CE1-CG 3.65Å; F49-M53 HydrophobicContact CE1-SD 4.34Å; F49-M53 HydrophobicContact CZ-CG 4.01Å; F49-M53 HydrophobicContact CZ-SD 4.22Å; F49-M53 WeakPolarHBondContact O-CG 3.46Å; F49-M53 PolarHBondContact O-N 2.88Å; F49-M53 VanDerWaalsContact O-N 3.08Å
50P91.4Very high92.3Very high4 Ų450.5 Ų50.53%0.02627%0.272CS..Hα-helixtrans-62.7-33.1175.924.1-32.4000112.5H4 T8 I46 S47 F54 M87H4-P50 WeakPolarHBondContact CE1-CB 3.29Å; H4-P50 WeakPolarHBondContact ND1-CB 3.39Å; T8-P50 HydrophobicContact CG2-CB 3.48Å; T8-P50 VanDerWaalsContact CG2-CB 3.48Å; T8-P50 HydrophobicContact CG2-CG 3.89Å; I46-P50 WeakPolarHBondContact O-CD 3.45Å; S47-P50 WeakPolarHBondContact O-CD 3.29Å; S47-P50 VanDerWaalsContact O-CG 3.25Å; S47-P50 WeakPolarHBondContact O-CG 3.45Å; P50-F54 WeakPolarHBondContact O-CB 3.42Å; P50-F54 PolarHBondContact O-N 3.44Å; P50-M87 HydrophobicContact CB-CE 4.5Å; P50-M87 HydrophobicContact CB-SD 3.98Å
51T91.5Very high91.9Very high14 Ų1451.5 Ų51.59%0.08628%0.278CS..Hα-helixtrans-68-41.1175.855.50000113.5S47 L48 F49 M53 F54 M55 M87 P91S47-T51 WeakPolarHBondContact O-CG2 3.16Å; S47-T51 PolarHBondContact O-N 2.94Å; S47-T51 PolarHBondContact O-OG1 2.93Å; L48-T51 VanDerWaalsContact C-OG1 3.3Å; L48-T51 VanDerWaalsContact CA-OG1 3.26Å; L48-T51 WeakPolarHBondContact CA-OG1 3.39Å; L48-T51 PolarHBondContact O-OG1 3.19Å; F49-T51 VanDerWaalsContact C-N 3.26Å; F49-T51 PolarHBondContact O-N 3.5Å; T51-M53 VanDerWaalsContact C-N 3.33Å; T51-F54 PolarHBondContact O-N 3.04Å; T51-M55 WeakPolarHBondContact O-CG 3.32Å; T51-M55 PolarHBondContact O-N 3.06Å; T51-M87 HydrophobicContact CG2-CB 4.21Å; T51-M87 WeakPolarHBondContact CG2-O 3.22Å; T51-M87 HydrophobicContact CG2-SD 4.47Å; T51-P91 HydrophobicContact CG2-CG 3.34Å
52T90.9Very high91.7Very high74 Ų7454.9 Ų54.945%0.45429%0.292SS..Hα-helixtrans-66.5-39.417846.70000111L48 F49 F54 M55 C56L48-T52 WeakPolarHBondContact O-CB 3.37Å; L48-T52 VanDerWaalsContact O-CG2 3.28Å; L48-T52 WeakPolarHBondContact O-CG2 3.25Å; L48-T52 PolarHBondContact O-N 3.31Å; L48-T52 PolarHBondContact O-OG1 3.08Å; F49-T52 PolarHBondContact O-N 2.97Å; F49-T52 PolarHBondContact O-OG1 3.26Å; T52-F54 PolarHBondContact O-N 3.38Å; T52-M55 PolarHBondContact O-N 3.43Å; T52-C56 PolarHBondContact O-N 3.27Å; T52-C56 VanDerWaalsContact O-N 3.09Å; T52-C56 PolarHBondContact O-SG 3.44Å; T52-C56 VanDerWaalsContact O-SG 3.34Å
53M90.2Very high91.5Very high56 Ų5653 Ų5328%0.27628%0.278SS..Hα-helixtrans-61-42.9172.3-71-70.2-74.200112.4F49 T51 C56 L57F49-M53 HydrophobicContact CD1-CG 4.16Å; F49-M53 HydrophobicContact CE1-CG 3.65Å; F49-M53 HydrophobicContact CE1-SD 4.34Å; F49-M53 HydrophobicContact CZ-CG 4.01Å; F49-M53 HydrophobicContact CZ-SD 4.22Å; F49-M53 WeakPolarHBondContact O-CG 3.46Å; F49-M53 PolarHBondContact O-N 2.88Å; F49-M53 VanDerWaalsContact O-N 3.08Å; T51-M53 VanDerWaalsContact C-N 3.33Å; M53-C56 PolarHBondContact O-N 3Å; M53-L57 HydrophobicContact CE-CD1 4.08Å; M53-L57 PolarHBondContact O-N 3.48Å; M53-L57 VanDerWaalsContact O-N 3.14Å
54F90.4Very high91.2Very high7 Ų757 Ų573%0.03131%0.306CS..Hα-helixtrans-60.2-48.1174.7174.7-94.9000111.2P50 T51 T52 C56 L57 D58 E60 Y84 M87P50-F54 WeakPolarHBondContact O-CB 3.42Å; P50-F54 PolarHBondContact O-N 3.44Å; T51-F54 PolarHBondContact O-N 3.04Å; T52-F54 PolarHBondContact O-N 3.38Å; F54-C56 VanDerWaalsContact C-N 3.26Å; F54-C56 PolarHBondContact O-N 3.31Å; F54-L57 PolarHBondContact O-N 3.08Å; F54-D58 VanDerWaalsContact O-CA 3.3Å; F54-D58 WeakPolarHBondContact O-CA 2.99Å; F54-D58 PolarHBondContact O-N 3.43Å; F54-E60 HydrophobicContact CE2-CG 4.21Å; F54-Y84 AromaticContact CE1-CD2 3.85Å; F54-Y84 HydrophobicContact CE1-CD2 3.85Å; F54-Y84 VanDerWaalsContact CZ-CA 3.49Å; F54-Y84 HydrophobicContact CZ-CD2 4.06Å; F54-Y84 HydrophobicContact CZ-CG 4.42Å; F54-M87 HydrophobicContact CB-CB 4.29Å; F54-M87 HydrophobicContact CB-CG 3.92Å; F54-M87 HydrophobicContact CB-SD 4.5Å; F54-M87 HydrophobicContact CD1-CB 4.08Å; F54-M87 HydrophobicContact CD1-CG 4.37Å; F54-M87 HydrophobicContact CD2-CG 4.07Å; F54-M87 HydrophobicContact CG-CB 4.04Å; F54-M87 HydrophobicContact CG-CG 3.83Å
55M89.1Confident90.8Very high52 Ų5260.7 Ų60.726%0.25633%0.328SS..Hα-helixtrans-61.4-30.8179.5-63.1-80.1-148.700113.6T51 T52 M88 N471T51-M55 WeakPolarHBondContact O-CG 3.32Å; T51-M55 PolarHBondContact O-N 3.06Å; T52-M55 PolarHBondContact O-N 3.43Å; M55-M88 HydrophobicContact CE-CE 3.1Å; M55-M88 HydrophobicContact CE-SD 3.39Å; M55-M88 WeakPolarHBondContact CE-SD 3.13Å; M55-M88 HydrophobicContact SD-CE 3.24Å; M55-M88 WeakPolarHBondContact SD-CE 3.32Å; M55-M88 HydrophobicContact SD-SD 4.27Å; M55-N471 HydrophobicContact CE-CB 3.63Å; M55-N471 HydrophobicContact SD-CB 3.69Å
56C89.1Confident90.6Very high105 Ų10562.2 Ų62.271%0.70933%0.326SS*.Hα-helixtrans-84-29.6-179.5-68.20000113.9T52 M53 F54T52-C56 PolarHBondContact O-N 3.27Å; T52-C56 VanDerWaalsContact O-N 3.09Å; T52-C56 PolarHBondContact O-SG 3.44Å; T52-C56 VanDerWaalsContact O-SG 3.34Å; M53-C56 PolarHBondContact O-N 3Å; F54-C56 VanDerWaalsContact C-N 3.26Å; F54-C56 PolarHBondContact O-N 3.31Å
57L88.9Confident90.5Very high89 Ų8964.9 Ų64.947%0.46634%0.337SS..Hα-helixtrans-119.5-10.9-169-63.8172.9000114M53 F54 Q59M53-L57 HydrophobicContact CE-CD1 4.08Å; M53-L57 PolarHBondContact O-N 3.48Å; M53-L57 VanDerWaalsContact O-N 3.14Å; F54-L57 PolarHBondContact O-N 3.08Å; L57-Q59 HydrophobicContact CB-CB 4.36Å; L57-Q59 HydrophobicContact CB-CG 3.95Å; L57-Q59 PolarHBondContact O-N 2.92Å; L57-Q59 VanDerWaalsContact O-N 3.09Å
58D87.9Confident90.4Very high86 Ų8670.7 Ų70.746%0.4636%0.359SS..  trans47.933.7-172.4-72-45.7000113.1F54 S473F54-D58 VanDerWaalsContact O-CA 3.3Å; F54-D58 WeakPolarHBondContact O-CA 2.99Å; F54-D58 PolarHBondContact O-N 3.43Å; D58-S473 PolarHBondContact OD1-OG 3.27Å
59Q86.4Confident90.4Very high75 Ų7569.2 Ų69.235%0.3536%0.357SS..  trans-90113.2-177.9-77.1179.8-2.600111.7M1 L57M1-Q59 HydrophobicContact CE-CG 4.36Å; L57-Q59 HydrophobicContact CB-CB 4.36Å; L57-Q59 HydrophobicContact CB-CG 3.95Å; L57-Q59 PolarHBondContact O-N 2.92Å; L57-Q59 VanDerWaalsContact O-N 3.09Å
60E89.8Confident90.4Very high111 Ų11170.2 Ų70.252%0.51937%0.369SS..  trans-84.1139.9168.1-56.3-166.816300111.1F54 L82 D83F54-E60 HydrophobicContact CE2-CG 4.21Å; E60-L82 WeakPolarHBondContact CA-O 3.23Å; E60-D83 HydrophobicContact CG-CB 4.15Å
61V89Confident90.4Very high20 Ų2073.6 Ų73.612%0.12139%0.389CS..EExtended strand (participates in β ladder)trans-127.3145-179.7-177.50000110.2M1 T5 I63 L82M1-V61 HydrophobicContact SD-CG2 4.19Å; T5-V61 HydrophobicContact CG2-CG1 4.02Å; V61-I63 HydrophobicContact CG1-CG1 3.98Å; V61-L82 HydrophobicContact CB-CB 4.31Å; V61-L82 PolarHBondContact N-O 3.26Å; V61-L82 WeakPolarHBondContact O-CA 3.42Å; V61-L82 VanDerWaalsContact O-CB 3.24Å; V61-L82 WeakPolarHBondContact O-CB 3.43Å; V61-L82 PolarHBondContact O-N 3.4Å
62I91.8Very high90.4Very high88 Ų8882.4 Ų82.445%0.45143%0.429SS..EExtended strand (participates in β ladder)trans-117.3126.1168.5-59.1166.8000107.3F80 Q199I62-F80 WeakPolarHBondContact CA-O 3.29Å; I62-Q199 HydrophobicContact CD1-CG 4.48Å; I62-Q199 VanDerWaalsContact CD1-NE2 3.27Å
63I91.8Very high90.3Very high10 Ų1083.6 Ų83.65%0.05144%0.437CS..EExtended strand (participates in β ladder)trans-111.4103.5-179.2-57.9179.8000108.6T5 T8 T9 V61 N65 S79 F80 L82T5-I63 HydrophobicContact CG2-CD1 3.81Å; T5-I63 HydrophobicContact CG2-CG1 4.01Å; T8-I63 VanDerWaalsContact OG1-CD1 3.32Å; T8-I63 WeakPolarHBondContact OG1-CD1 3.32Å; T9-I63 HydrophobicContact CG2-CD1 4.49Å; V61-I63 HydrophobicContact CG1-CG1 3.98Å; I63-N65 HydrophobicContact CG2-CB 4.46Å; I63-N65 WeakPolarHBondContact CG2-ND2 3.34Å; I63-N65 WeakPolarHBondContact CG2-OD1 3.46Å; I63-S79 CarbonylContact O-C 3.48Å; I63-S79 VanDerWaalsContact O-CA 3.31Å; I63-S79 WeakPolarHBondContact O-CA 3.43Å; I63-F80 HydrophobicContact CB-CB 4.39Å; I63-F80 PolarHBondContact N-O 3Å; I63-F80 PolarHBondContact O-N 3.4Å; I63-L82 HydrophobicContact CD1-CD1 3.41Å; I63-L82 VanDerWaalsContact CD1-CD1 3.41Å; I63-L82 HydrophobicContact CG1-CD1 3.98Å
64S89.8Confident90.1Very high84 Ų8481.7 Ų81.759%0.58743%0.428SS*.EExtended strand (participates in β ladder)trans-10184172.947.30000110.4
65N87.4Confident90.1Very high109 Ų10988.1 Ų88.158%0.58346%0.458SS*.EExtended strand (participates in β ladder)trans-83.4-40.5-171.8-79.2-11.8000113.7I63 L78I63-N65 HydrophobicContact CG2-CB 4.46Å; I63-N65 WeakPolarHBondContact CG2-ND2 3.34Å; I63-N65 WeakPolarHBondContact CG2-OD1 3.46Å; N65-L78 PolarHBondContact N-O 3.1Å
66W91.2Very high90.2Very high148 Ų14886.6 Ų86.656%0.56145%0.451SS*.EExtended strand (participates in β ladder)trans-126.7116.5-170.2-172.744.9000111.1W68 S77 L78W66-W68 AromaticContact CH2-CD1 3.54Å; W66-W68 HydrophobicContact CH2-CG 4.5Å; W66-W68 AromaticContact CZ3-CD1 3.67Å; W66-W68 HydrophobicContact CZ3-CG 4.28Å; W66-W68 PolarHBondContact O-N 2.98Å; W66-S77 CarbonylContact O-C 3.49Å; W66-S77 VanDerWaalsContact O-CA 3.28Å; W66-S77 WeakPolarHBondContact O-CA 3.37Å; W66-L78 HydrophobicContact CB-CB 4.18Å; W66-L78 HydrophobicContact CE3-CB 4.39Å; W66-L78 HydrophobicContact CE3-CD1 4.01Å; W66-L78 PolarHBondContact O-N 2.98Å
67H93.3Very high90.4Very high93 Ų9383.1 Ų83.143%0.43143%0.428SS..EExtended strand (participates in β ladder)trans-73.9113.4168.9-179.3-72.7000108.9A69 T70H67-A69 VanDerWaalsContact CE1-C 3.46Å; H67-T70 WeakPolarHBondContact CE1-CG2 3.46Å; H67-T70 WeakPolarHBondContact NE2-CG2 3.26Å
68W92.3Very high90.6Very high124 Ų12481.7 Ų81.747%0.4742%0.42SS..EExtended strand (participates in β ladder)trans-86-56.1-174.9-174.836.3000112W66 L76 F138W66-W68 AromaticContact CH2-CD1 3.54Å; W66-W68 HydrophobicContact CH2-CG 4.5Å; W66-W68 AromaticContact CZ3-CD1 3.67Å; W66-W68 HydrophobicContact CZ3-CG 4.28Å; W66-W68 PolarHBondContact O-N 2.98Å; W68-L76 WeakPolarHBondContact CA-O 3.33Å; W68-L76 WeakPolarHBondContact CB-O 3.35Å; W68-L76 HydrophobicContact CE3-CB 4.06Å; W68-L76 HydrophobicContact CE3-CD1 4.18Å; W68-L76 HydrophobicContact CZ3-CD1 4.15Å; W68-L76 PolarHBondContact N-O 3.37Å; W68-F138 HydrophobicContact CE3-CD1 4.44Å; W68-F138 HydrophobicContact CE3-CE1 4.11Å; W68-F138 HydrophobicContact CH2-CD1 4.39Å; W68-F138 AromaticContact CH2-CE1 3.36Å; W68-F138 HydrophobicContact CH2-CE1 3.36Å; W68-F138 AromaticContact CH2-CZ 3.63Å; W68-F138 HydrophobicContact CH2-CZ 3.63Å; W68-F138 AromaticContact CZ3-CD1 3.67Å; W68-F138 HydrophobicContact CZ3-CD1 3.67Å; W68-F138 AromaticContact CZ3-CE1 3.06Å; W68-F138 HydrophobicContact CZ3-CE1 3.06Å; W68-F138 AromaticContact CZ3-CZ 3.67Å; W68-F138 HydrophobicContact CZ3-CZ 3.67Å
69A93.4Very high90.8Very high39 Ų3977.7 Ų77.732%0.32240%0.399SS..EExtended strand (participates in β ladder)trans-158.5148.4179.300000111.8H67 L76H67-A69 VanDerWaalsContact CE1-C 3.46Å; A69-L76 PolarHBondContact N-O 3.45Å; A69-L76 VanDerWaalsContact N-O 3.1Å; A69-L76 WeakPolarHBondContact O-CA 3.3Å; A69-L76 WeakPolarHBondContact O-CB 3.18Å; A69-L76 PolarHBondContact O-N 2.94Å
70T93.6Very high91.2Very high87 Ų8775.5 Ų75.553%0.53439%0.389SS..EExtended strand (participates in β ladder)trans-107117.8168.646.50000109.9H67 Q75H67-T70 WeakPolarHBondContact CE1-CG2 3.46Å; H67-T70 WeakPolarHBondContact NE2-CG2 3.26Å; T70-Q75 HydrophobicContact CG2-CG 3.97Å
71T90.8Very high91.3Very high74 Ų7472.3 Ų72.345%0.45437%0.373SS..EExtended strand (participates in β ladder)trans-106.798.1171.740.50000109.5T73 T74T71-T73 PolarHBondContact O-N 3.47Å; T71-T74 PolarHBondContact N-O 3.49Å; T71-T74 PolarHBondContact O-N 3.05Å; T71-T74 PolarHBondContact O-OG1 3.3Å; T71-T74 VanDerWaalsContact O-OG1 3.09Å; T71-T74 PolarHBondContact OG1-OG1 3.43Å
72Q90.7Very high91.5Very high199 Ų19971.5 Ų71.593%0.9337%0.368SS*.THydrogen-bonded Turntrans53.6-95.3-175.6-61176.9-11.200112.4
73T88.9Confident91.5Very high99 Ų9967.4 Ų67.461%0.60735%0.347SS*.THydrogen-bonded Turntrans-102-13.1-176.952.50000113.3T71 N194T71-T73 PolarHBondContact O-N 3.47Å; T73-N194 WeakPolarHBondContact CB-ND2 3.48Å; T73-N194 PolarHBondContact OG1-ND2 2.87Å; T73-N194 PolarHBondContact OG1-OD1 3.2Å
74T87.7Confident91.5Very high17 Ų1767.8 Ų67.810%0.10435%0.348CS..EExtended strand (participates in β ladder)trans-98.4124.5-179.757.80000111.7T71 I190 N194T71-T74 PolarHBondContact N-O 3.49Å; T71-T74 PolarHBondContact O-N 3.05Å; T71-T74 PolarHBondContact O-OG1 3.3Å; T71-T74 VanDerWaalsContact O-OG1 3.09Å; T71-T74 PolarHBondContact OG1-OG1 3.43Å; T74-I190 HydrophobicContact CG2-CD1 3.57Å; T74-N194 VanDerWaalsContact CG2-O 3.26Å; T74-N194 WeakPolarHBondContact CG2-O 3.24Å; T74-N194 VanDerWaalsContact CG2-OD1 3.31Å; T74-N194 WeakPolarHBondContact CG2-OD1 3.49Å
75Q89.4Confident91.7Very high141 Ų14164.8 Ų64.866%0.65932%0.324SS*.EExtended strand (participates in β ladder)trans-97.9112.8176.6-62.2-174.5-10.500109.4T70T70-Q75 HydrophobicContact CG2-CG 3.97Å
76L91.9Very high92Very high21 Ų2159.6 Ų59.611%0.1130%0.297CS..EExtended strand (participates in β ladder)trans-90.2112.9173.9-56.4-178.7000108.8W68 A69 W196W68-L76 WeakPolarHBondContact CA-O 3.33Å; W68-L76 WeakPolarHBondContact CB-O 3.35Å; W68-L76 HydrophobicContact CE3-CB 4.06Å; W68-L76 HydrophobicContact CE3-CD1 4.18Å; W68-L76 HydrophobicContact CZ3-CD1 4.15Å; W68-L76 PolarHBondContact N-O 3.37Å; A69-L76 PolarHBondContact N-O 3.45Å; A69-L76 VanDerWaalsContact N-O 3.1Å; A69-L76 WeakPolarHBondContact O-CA 3.3Å; A69-L76 WeakPolarHBondContact O-CB 3.18Å; A69-L76 PolarHBondContact O-N 2.94Å; L76-W196 HydrophobicContact CD1-CZ3 3.87Å; L76-W196 HydrophobicContact CD2-CD2 4.45Å; L76-W196 HydrophobicContact CD2-CE3 3.27Å; L76-W196 HydrophobicContact CD2-CH2 4.37Å; L76-W196 HydrophobicContact CD2-CZ3 3.24Å; L76-W196 HydrophobicContact CG-CZ3 4.19Å
77S92.8Very high92.1Very high31 Ų3152.7 Ų52.722%0.21727%0.271CS..EExtended strand (participates in β ladder)trans-118.5156172.160.30000110.8W66 S79 N136W66-S77 CarbonylContact O-C 3.49Å; W66-S77 VanDerWaalsContact O-CA 3.28Å; W66-S77 WeakPolarHBondContact O-CA 3.37Å; S77-S79 PolarHBondContact O-N 3.41Å; S77-N136 PolarHBondContact O-ND2 3.06Å
78L92.4Very high92.1Very high59 Ų5948.9 Ų48.931%0.30925%0.253SS..EExtended strand (participates in β ladder)trans-83.5102.5167.8-151.1166000107.1N65 W66 F80N65-L78 PolarHBondContact N-O 3.1Å; W66-L78 HydrophobicContact CB-CB 4.18Å; W66-L78 HydrophobicContact CE3-CB 4.39Å; W66-L78 HydrophobicContact CE3-CD1 4.01Å; W66-L78 PolarHBondContact O-N 2.98Å; L78-F80 HydrophobicContact CD2-CD2 4.15Å; L78-F80 HydrophobicContact CD2-CE1 3.84Å; L78-F80 HydrophobicContact CD2-CE2 3.34Å; L78-F80 HydrophobicContact CD2-CZ 3.16Å
79S93.2Very high92.2Very high2 Ų243 Ų431%0.01423%0.231CC..EExtended strand (participates in β ladder)trans-125.1121.2-166.754.30000110.7I63 S77 N135 N136 Q139I63-S79 CarbonylContact O-C 3.48Å; I63-S79 VanDerWaalsContact O-CA 3.31Å; I63-S79 WeakPolarHBondContact O-CA 3.43Å; S77-S79 PolarHBondContact O-N 3.41Å; S79-N135 WeakPolarHBondContact O-CB 3.44Å; S79-N135 PolarHBondContact O-N 2.98Å; S79-N135 WeakPolarHBondContact OG-CB 3.26Å; S79-N136 PolarHBondContact OG-ND2 3.11Å; S79-N136 VanDerWaalsContact OG-ND2 3.12Å; S79-N136 PolarHBondContact OG-OD1 3.45Å; S79-Q139 PolarHBondContact O-OE1 3.35Å; S79-Q139 VanDerWaalsContact O-OE1 3.08Å
80F93.1Very high92.3Very high30 Ų3041.6 Ų41.613%0.13222%0.218CC..EExtended strand (participates in β ladder)trans-102.4120.1178.4-60.2-70.5000110.4L12 I62 I63 L78 T133L12-F80 HydrophobicContact CD1-CD1 3.81Å; L12-F80 HydrophobicContact CD1-CD2 4.23Å; L12-F80 HydrophobicContact CD1-CE1 3.64Å; L12-F80 HydrophobicContact CD1-CE2 4.08Å; L12-F80 HydrophobicContact CD1-CG 4.08Å; L12-F80 HydrophobicContact CD1-CZ 3.77Å; I62-F80 WeakPolarHBondContact CA-O 3.29Å; I63-F80 HydrophobicContact CB-CB 4.39Å; I63-F80 PolarHBondContact N-O 3Å; I63-F80 PolarHBondContact O-N 3.4Å; L78-F80 HydrophobicContact CD2-CD2 4.15Å; L78-F80 HydrophobicContact CD2-CE1 3.84Å; L78-F80 HydrophobicContact CD2-CE2 3.34Å; L78-F80 HydrophobicContact CD2-CZ 3.16Å; F80-T133 CarbonylContact C-O 3.21Å; F80-T133 VanDerWaalsContact CA-O 3.22Å; F80-T133 WeakPolarHBondContact CA-O 3.08Å; F80-T133 WeakPolarHBondContact CD1-OG1 3.27Å
81K93Very high92.4Very high43 Ų4338.1 Ų38.119%0.18720%0.197CC..EExtended strand (participates in β ladder)trans-90.6115171.7-174.9174.1179.6-179.70109.3D83 S86 T133 N135K81-D83 WeakPolarHBondContact CE-OD2 3.33Å; K81-D83 HydrophobicContact CG-CB 4.26Å; K81-D83 IonicContact NZ-OD2 3.17Å; K81-S86 PolarHBondContact O-OG 3.38Å; K81-T133 PolarHBondContact N-O 3.32Å; K81-N135 HydrophobicContact CB-CB 3.9Å
82L92.4Very high92.7Very high3 Ų335.1 Ų35.12%0.01618%0.178CC..EExtended strand (participates in β ladder)trans-107.874.2-177.5-71.2178.9000109.7T8 E60 V61 I63 S86 M87T8-L82 HydrophobicContact CG2-CD1 3.6Å; T8-L82 HydrophobicContact CG2-CD2 4.17Å; T8-L82 WeakPolarHBondContact OG1-CD1 3.37Å; E60-L82 WeakPolarHBondContact CA-O 3.23Å; V61-L82 HydrophobicContact CB-CB 4.31Å; V61-L82 PolarHBondContact N-O 3.26Å; V61-L82 WeakPolarHBondContact O-CA 3.42Å; V61-L82 VanDerWaalsContact O-CB 3.24Å; V61-L82 WeakPolarHBondContact O-CB 3.43Å; V61-L82 PolarHBondContact O-N 3.4Å; I63-L82 HydrophobicContact CD1-CD1 3.41Å; I63-L82 VanDerWaalsContact CD1-CD1 3.41Å; I63-L82 HydrophobicContact CG1-CD1 3.98Å; L82-S86 VanDerWaalsContact CA-OG 3.27Å; L82-S86 WeakPolarHBondContact CA-OG 3.46Å; L82-M87 HydrophobicContact CB-CE 3.31Å; L82-M87 HydrophobicContact CD1-CE 4Å; L82-M87 HydrophobicContact CD2-CE 3.54Å; L82-M87 HydrophobicContact CG-CE 3.76Å
83D92.4Very high92.9Very high3 Ų325.6 Ų25.62%0.01613%0.134CC..SBendtrans-109.2-178.7178.268.2-17.4000112.5E60 K81 F85 S86 M87 R262E60-D83 HydrophobicContact CG-CB 4.15Å; K81-D83 WeakPolarHBondContact CE-OD2 3.33Å; K81-D83 HydrophobicContact CG-CB 4.26Å; K81-D83 IonicContact NZ-OD2 3.17Å; D83-F85 PolarHBondContact O-N 3.43Å; D83-F85 VanDerWaalsContact O-N 3.14Å; D83-F85 WeakPolarHBondContact OD2-CD2 3.39Å; D83-S86 PolarHBondContact N-OG 3.47Å; D83-S86 PolarHBondContact O-N 2.82Å; D83-S86 PolarHBondContact O-OG 2.96Å; D83-S86 PolarHBondContact OD1-N 3.23Å; D83-S86 VanDerWaalsContact OD1-N 3.13Å; D83-S86 PolarHBondContact OD1-OG 3Å; D83-M87 WeakPolarHBondContact O-CB 3.31Å; D83-M87 WeakPolarHBondContact O-CG 3.4Å; D83-M87 PolarHBondContact O-N 3.25Å; D83-R262 IonicContact OD1-CZ 2.76Å; D83-R262 VanDerWaalsContact OD1-CZ 3.24Å; D83-R262 IonicContact OD1-NH1 2.67Å; D83-R262 PolarHBondContact OD1-NH1 3.29Å; D83-R262 IonicContact OD1-NH2 3.11Å; D83-R262 PolarHBondContact OD1-NH2 2.89Å; D83-R262 IonicContact OD2-CZ 2.63Å; D83-R262 IonicContact OD2-NH1 3.61Å; D83-R262 PolarHBondContact OD2-NH1 3.36Å; D83-R262 IonicContact OD2-NH2 3.22Å
84Y92Very high93.3Very high17 Ų1721 Ų217%0.06711%0.105CC..Hα-helixtrans-41.6-50175.6173.3-101.9000113.5F54 M88 H323 F326 I472F54-Y84 AromaticContact CE1-CD2 3.85Å; F54-Y84 HydrophobicContact CE1-CD2 3.85Å; F54-Y84 VanDerWaalsContact CZ-CA 3.49Å; F54-Y84 HydrophobicContact CZ-CD2 4.06Å; F54-Y84 HydrophobicContact CZ-CG 4.42Å; Y84-M88 HydrophobicContact CD2-CE 4.19Å; Y84-M88 HydrophobicContact CD2-CG 4.23Å; Y84-M88 HydrophobicContact CE2-CE 3.69Å; Y84-M88 HydrophobicContact CE2-CG 3.96Å; Y84-M88 WeakPolarHBondContact O-CB 3.41Å; Y84-M88 WeakPolarHBondContact O-CG 3.32Å; Y84-M88 PolarHBondContact O-N 2.97Å; Y84-M88 VanDerWaalsContact O-N 3.09Å; Y84-H323 AromaticContact CD1-ND1 3.88Å; Y84-H323 AromaticContact CE1-ND1 3.8Å; Y84-F326 HydrophobicContact CD1-CD1 4.26Å; Y84-F326 HydrophobicContact CD1-CE1 4.38Å; Y84-F326 AromaticContact CE1-CD1 3.45Å; Y84-F326 HydrophobicContact CE1-CD1 3.45Å; Y84-F326 VanDerWaalsContact CE1-CD1 3.45Å; Y84-F326 AromaticContact CE1-CE1 3.8Å; Y84-F326 HydrophobicContact CE1-CE1 3.8Å; Y84-F326 HydrophobicContact CE1-CG 4.34Å; Y84-I472 HydrophobicContact CE2-CB 4.3Å; Y84-I472 HydrophobicContact CE2-CG1 3.87Å; Y84-I472 HydrophobicContact CE2-CG2 3.65Å; Y84-I472 WeakPolarHBondContact OH-CD1 3.39Å; Y84-I472 WeakPolarHBondContact OH-CG1 3.48Å
85F93.9Very high93.7Very high21 Ų2121.7 Ų21.79%0.09211%0.107CC..Hα-helixtrans-65.4-44.3-176.8-58.5-56.7000112.3D83 F89 F258 I261 H323 F326D83-F85 PolarHBondContact O-N 3.43Å; D83-F85 VanDerWaalsContact O-N 3.14Å; D83-F85 WeakPolarHBondContact OD2-CD2 3.39Å; F85-F89 WeakPolarHBondContact O-CB 3.47Å; F85-F89 PolarHBondContact O-N 3.18Å; F85-F258 HydrophobicContact CB-CE2 3.89Å; F85-F258 HydrophobicContact CB-CZ 4.29Å; F85-I261 HydrophobicContact CD1-CG2 3.68Å; F85-I261 HydrophobicContact CD2-CG2 4.22Å; F85-I261 HydrophobicContact CE1-CG2 3.25Å; F85-I261 HydrophobicContact CE2-CG2 3.84Å; F85-I261 HydrophobicContact CG-CG2 4.15Å; F85-I261 HydrophobicContact CZ-CG2 3.34Å; F85-H323 AromaticContact CE1-ND1 3.9Å; F85-H323 AromaticContact CZ-CE1 3.82Å; F85-H323 AromaticContact CZ-ND1 3.93Å; F85-F326 HydrophobicContact CB-CD2 4.43Å; F85-F326 HydrophobicContact CB-CE2 4.08Å; F85-F326 HydrophobicContact CB-CZ 4.34Å; F85-F326 HydrophobicContact CD1-CB 4.02Å; F85-F326 AromaticContact CD1-CD1 3.93Å; F85-F326 HydrophobicContact CD1-CD1 3.93Å; F85-F326 AromaticContact CD1-CD2 3.64Å; F85-F326 HydrophobicContact CD1-CD2 3.64Å; F85-F326 HydrophobicContact CD1-CE1 4.31Å; F85-F326 HydrophobicContact CD1-CE2 4.06Å; F85-F326 AromaticContact CD1-CG 3.56Å; F85-F326 HydrophobicContact CD1-CG 3.56Å; F85-F326 HydrophobicContact CD1-CZ 4.38Å; F85-F326 HydrophobicContact CE1-CB 3.99Å; F85-F326 HydrophobicContact CE1-CD1 4.46Å; F85-F326 HydrophobicContact CE1-CD2 4.43Å; F85-F326 HydrophobicContact CE1-CG 4.03Å; F85-F326 HydrophobicContact CG-CD2 4.46Å; F85-F326 WeakPolarHBondContact O-CE2 3.3Å; F85-F326 WeakPolarHBondContact O-CZ 3.49Å
86S93.8Very high94.1Very high0 Ų015 Ų150%08%0.076CC..Hα-helixtrans-69.6-43.9178.165.50000112.3K81 L82 D83 M88 F89 I90K81-S86 PolarHBondContact O-OG 3.38Å; L82-S86 VanDerWaalsContact CA-OG 3.27Å; L82-S86 WeakPolarHBondContact CA-OG 3.46Å; D83-S86 PolarHBondContact N-OG 3.47Å; D83-S86 PolarHBondContact O-N 2.82Å; D83-S86 PolarHBondContact O-OG 2.96Å; D83-S86 PolarHBondContact OD1-N 3.23Å; D83-S86 VanDerWaalsContact OD1-N 3.13Å; D83-S86 PolarHBondContact OD1-OG 3Å; S86-M88 PolarHBondContact O-N 3.06Å; S86-F89 PolarHBondContact O-N 2.66Å; S86-I90 WeakPolarHBondContact O-CD1 3.44Å; S86-I90 WeakPolarHBondContact O-CG1 3.49Å; S86-I90 PolarHBondContact O-N 3.21Å
87M92.7Very high94.3Very high3 Ų314 Ų142%0.0157%0.071CC..Hα-helixtrans-60.7-50.1-176.8-74.5-59.8155.500110.5H4 T8 P50 T51 F54 L82 D83 F89 P91H4-M87 WeakPolarHBondContact CE1-CE 3.41Å; T8-M87 HydrophobicContact CG2-CE 4.13Å; P50-M87 HydrophobicContact CB-CE 4.5Å; P50-M87 HydrophobicContact CB-SD 3.98Å; T51-M87 HydrophobicContact CG2-CB 4.21Å; T51-M87 WeakPolarHBondContact CG2-O 3.22Å; T51-M87 HydrophobicContact CG2-SD 4.47Å; F54-M87 HydrophobicContact CB-CB 4.29Å; F54-M87 HydrophobicContact CB-CG 3.92Å; F54-M87 HydrophobicContact CB-SD 4.5Å; F54-M87 HydrophobicContact CD1-CB 4.08Å; F54-M87 HydrophobicContact CD1-CG 4.37Å; F54-M87 HydrophobicContact CD2-CG 4.07Å; F54-M87 HydrophobicContact CG-CB 4.04Å; F54-M87 HydrophobicContact CG-CG 3.83Å; L82-M87 HydrophobicContact CB-CE 3.31Å; L82-M87 HydrophobicContact CD1-CE 4Å; L82-M87 HydrophobicContact CD2-CE 3.54Å; L82-M87 HydrophobicContact CG-CE 3.76Å; D83-M87 WeakPolarHBondContact O-CB 3.31Å; D83-M87 WeakPolarHBondContact O-CG 3.4Å; D83-M87 PolarHBondContact O-N 3.25Å; M87-F89 PolarHBondContact O-N 2.9Å; M87-P91 WeakPolarHBondContact O-CD 3.4Å
88M93.2Very high94.5Very high14 Ų1415.1 Ų15.17%0.0697%0.07CC..Hα-helixtrans-68.4-37.8-180-67.9-67.1-170.800113.1M55 Y84 S86 V92 F326 I472M55-M88 HydrophobicContact CE-CE 3.1Å; M55-M88 HydrophobicContact CE-SD 3.39Å; M55-M88 WeakPolarHBondContact CE-SD 3.13Å; M55-M88 HydrophobicContact SD-CE 3.24Å; M55-M88 WeakPolarHBondContact SD-CE 3.32Å; M55-M88 HydrophobicContact SD-SD 4.27Å; Y84-M88 HydrophobicContact CD2-CE 4.19Å; Y84-M88 HydrophobicContact CD2-CG 4.23Å; Y84-M88 HydrophobicContact CE2-CE 3.69Å; Y84-M88 HydrophobicContact CE2-CG 3.96Å; Y84-M88 WeakPolarHBondContact O-CB 3.41Å; Y84-M88 WeakPolarHBondContact O-CG 3.32Å; Y84-M88 PolarHBondContact O-N 2.97Å; Y84-M88 VanDerWaalsContact O-N 3.09Å; S86-M88 PolarHBondContact O-N 3.06Å; M88-V92 WeakPolarHBondContact O-CG2 3.41Å; M88-F326 HydrophobicContact CB-CE1 3.5Å; M88-F326 HydrophobicContact CB-CZ 3.73Å; M88-F326 HydrophobicContact CG-CE1 4.14Å; M88-I472 HydrophobicContact CE-CG1 3.61Å
89F95.3Very high94.8Very high0 Ų012.3 Ų12.30%06%0.056CC..Hα-helixtrans-76.1-36.2-172.8-173.9-90.6000113.3F85 S86 M87 V92 A93 M128 V132 S250 V254 F326 I329F85-F89 WeakPolarHBondContact O-CB 3.47Å; F85-F89 PolarHBondContact O-N 3.18Å; S86-F89 PolarHBondContact O-N 2.66Å; M87-F89 PolarHBondContact O-N 2.9Å; F89-V92 PolarHBondContact O-N 2.99Å; F89-A93 HydrophobicContact CD1-CB 4.11Å; F89-A93 HydrophobicContact CE1-CB 3.74Å; F89-A93 HydrophobicContact CZ-CB 4.29Å; F89-A93 WeakPolarHBondContact O-CB 3.07Å; F89-A93 PolarHBondContact O-N 3.41Å; F89-M128 HydrophobicContact CE1-CE 3.71Å; F89-M128 HydrophobicContact CE1-CG 4.3Å; F89-M128 HydrophobicContact CZ-CE 3.52Å; F89-V132 HydrophobicContact CB-CG1 4.1Å; F89-V132 HydrophobicContact CD1-CB 4.14Å; F89-V132 HydrophobicContact CD1-CG1 3.71Å; F89-V132 HydrophobicContact CD1-CG2 3.49Å; F89-V132 VanDerWaalsContact CD1-CG2 3.49Å; F89-V132 HydrophobicContact CE1-CG2 3.46Å; F89-V132 VanDerWaalsContact CE1-CG2 3.46Å; F89-V132 HydrophobicContact CG-CG1 4.21Å; F89-V132 HydrophobicContact CG-CG2 4.37Å; F89-V132 HydrophobicContact CZ-CG2 4.31Å; F89-S250 WeakPolarHBondContact CE2-O 3.32Å; F89-S250 WeakPolarHBondContact CZ-O 3.31Å; F89-V254 HydrophobicContact CE2-CG1 4.33Å; F89-F326 HydrophobicContact CB-CE2 4.03Å; F89-F326 HydrophobicContact CB-CZ 3.91Å; F89-F326 HydrophobicContact CD2-CE2 4.39Å; F89-I329 HydrophobicContact CD2-CG2 4.13Å; F89-I329 HydrophobicContact CE2-CG2 3.95Å
90I95.2Very high95Very high10 Ų1012.2 Ų12.25%0.0516%0.055CC..Hα-helixtrans-57.7-51.7-176.5-67.9162.2000111.9S86 V92 A93 L94 L129 T133S86-I90 WeakPolarHBondContact O-CD1 3.44Å; S86-I90 WeakPolarHBondContact O-CG1 3.49Å; S86-I90 PolarHBondContact O-N 3.21Å; I90-V92 VanDerWaalsContact C-N 3.34Å; I90-V92 PolarHBondContact O-N 3.17Å; I90-A93 PolarHBondContact O-N 3.18Å; I90-L94 HydrophobicContact CG2-CD1 3.72Å; I90-L94 HydrophobicContact CG2-CG 4.37Å; I90-L94 WeakPolarHBondContact O-CB 3.44Å; I90-L94 VanDerWaalsContact O-CG 3.29Å; I90-L94 WeakPolarHBondContact O-CG 3.5Å; I90-L94 PolarHBondContact O-N 3.09Å; I90-L129 HydrophobicContact CB-CD2 4.26Å; I90-L129 HydrophobicContact CG1-CD2 3.89Å; I90-L129 HydrophobicContact CG2-CD2 4Å; I90-T133 HydrophobicContact CD1-CG2 3.63Å; I90-T133 HydrophobicContact CG1-CG2 4.33Å
91P95.6Very high95.1Very high14 Ų1410.8 Ų10.89%0.0915%0.049CC..Hα-helixtrans-64.9-36177.4-18.829.6000112.9F44 L48 T51 M87 L94 F95F44-P91 HydrophobicContact CD2-CB 4.28Å; F44-P91 WeakPolarHBondContact CD2-O 3.27Å; F44-P91 HydrophobicContact CE2-CB 4.01Å; L48-P91 HydrophobicContact CD2-CB 4.15Å; T51-P91 HydrophobicContact CG2-CG 3.34Å; M87-P91 WeakPolarHBondContact O-CD 3.4Å; P91-L94 PolarHBondContact O-N 3.29Å; P91-F95 WeakPolarHBondContact O-CB 3.3Å; P91-F95 PolarHBondContact O-N 3.39Å
92V96.4Very high95.3Very high10 Ų109.3 Ų9.36%0.0614%0.042CC..Hα-helixtrans-62.6-47.9177.21740000110.2M88 F89 I90 F95 V96 C330 A333 F334M88-V92 WeakPolarHBondContact O-CG2 3.41Å; F89-V92 PolarHBondContact O-N 2.99Å; I90-V92 VanDerWaalsContact C-N 3.34Å; I90-V92 PolarHBondContact O-N 3.17Å; V92-F95 PolarHBondContact O-N 3.08Å; V92-V96 WeakPolarHBondContact O-CG2 3.1Å; V92-V96 PolarHBondContact O-N 3.34Å; V92-C330 HydrophobicContact CG2-CB 4.31Å; V92-A333 HydrophobicContact CG1-CB 3.71Å; V92-F334 HydrophobicContact CG1-CE2 4.03Å; V92-F334 HydrophobicContact CG1-CZ 4.24Å; V92-F334 HydrophobicContact CG2-CE2 4.14Å; V92-F334 HydrophobicContact CG2-CZ 4.17Å
93A96.3Very high95.5Very high0 Ų09.1 Ų9.10%04%0.041CC..Hα-helixtrans-62.4-44.717700000111.8F89 I90 T97F89-A93 HydrophobicContact CD1-CB 4.11Å; F89-A93 HydrophobicContact CE1-CB 3.74Å; F89-A93 HydrophobicContact CZ-CB 4.29Å; F89-A93 WeakPolarHBondContact O-CB 3.07Å; F89-A93 PolarHBondContact O-N 3.41Å; I90-A93 PolarHBondContact O-N 3.18Å; A93-T97 WeakPolarHBondContact O-CB 3.23Å; A93-T97 VanDerWaalsContact O-CG2 3.28Å; A93-T97 WeakPolarHBondContact O-CG2 3.28Å; A93-T97 PolarHBondContact O-N 3.25Å; A93-T97 PolarHBondContact O-OG1 3.38Å
94L96.6Very high95.7Very high1 Ų19 Ų91%0.0054%0.041CC..Hα-helixtrans-66-38.8177.8-70.5174.5000112.6L15 V40 T43 F44 I90 P91 T97 W98 L125 L129L15-L94 HydrophobicContact CD1-CD2 4.38Å; V40-L94 HydrophobicContact CG1-CD2 4.33Å; T43-L94 WeakPolarHBondContact OG1-CD2 3.35Å; F44-L94 HydrophobicContact CB-CB 3.99Å; F44-L94 HydrophobicContact CD2-CB 4.2Å; I90-L94 HydrophobicContact CG2-CD1 3.72Å; I90-L94 HydrophobicContact CG2-CG 4.37Å; I90-L94 WeakPolarHBondContact O-CB 3.44Å; I90-L94 VanDerWaalsContact O-CG 3.29Å; I90-L94 WeakPolarHBondContact O-CG 3.5Å; I90-L94 PolarHBondContact O-N 3.09Å; P91-L94 PolarHBondContact O-N 3.29Å; L94-T97 WeakPolarHBondContact CA-OG1 3.34Å; L94-T97 PolarHBondContact O-OG1 2.84Å; L94-T97 VanDerWaalsContact O-OG1 3.09Å; L94-W98 VanDerWaalsContact O-CB 3.26Å; L94-W98 WeakPolarHBondContact O-CB 3.27Å; L94-W98 PolarHBondContact O-N 2.82Å; L94-L125 HydrophobicContact CD2-CD1 4.15Å; L94-L125 HydrophobicContact CD2-CD2 3.84Å; L94-L125 HydrophobicContact CD2-CG 4.43Å; L94-L129 HydrophobicContact CD2-CD1 4.26Å
95F96.9Very high95.9Very high33 Ų339 Ų915%0.1454%0.042CC..Hα-helixtrans-65.4-47177-174.6-96.3000111.9F44 P91 V92 W98 S99 F334 R456 L457F44-F95 HydrophobicContact CD2-CB 3.98Å; F44-F95 HydrophobicContact CE1-CD2 4.02Å; F44-F95 HydrophobicContact CE2-CB 3.74Å; F44-F95 AromaticContact CE2-CD2 3.92Å; F44-F95 HydrophobicContact CE2-CD2 3.92Å; F44-F95 HydrophobicContact CE2-CG 4.3Å; F44-F95 HydrophobicContact CZ-CB 4.36Å; F44-F95 AromaticContact CZ-CD2 3.65Å; F44-F95 HydrophobicContact CZ-CD2 3.65Å; F44-F95 HydrophobicContact CZ-CE2 4.45Å; F44-F95 HydrophobicContact CZ-CG 4.44Å; P91-F95 WeakPolarHBondContact O-CB 3.3Å; P91-F95 PolarHBondContact O-N 3.39Å; V92-F95 PolarHBondContact O-N 3.08Å; F95-W98 HydrophobicContact CD2-CE3 4.27Å; F95-W98 HydrophobicContact CD2-CZ3 4.42Å; F95-W98 HydrophobicContact CE2-CZ3 4.33Å; F95-W98 PolarHBondContact O-N 3.27Å; F95-S99 PolarHBondContact O-N 3.25Å; F95-S99 VanDerWaalsContact O-N 3.11Å; F95-F334 HydrophobicContact CD1-CD1 4.01Å; F95-F334 AromaticContact CD1-CE1 3.44Å; F95-F334 HydrophobicContact CD1-CE1 3.44Å; F95-F334 VanDerWaalsContact CD1-CE1 3.44Å; F95-F334 HydrophobicContact CD1-CZ 4.49Å; F95-F334 HydrophobicContact CE1-CD1 4.04Å; F95-F334 AromaticContact CE1-CE1 3.7Å; F95-F334 HydrophobicContact CE1-CE1 3.7Å; F95-F334 HydrophobicContact CG-CE1 4.32Å; F95-R456 HydrophobicContact CZ-CB 4.02Å; F95-L457 HydrophobicContact CD1-CD2 4.05Å; F95-L457 HydrophobicContact CE1-CD2 3.86Å
96V97.3Very high96Very high0 Ų09 Ų90%04%0.041CC..Hα-helixtrans-64-46.4177.1171.80000110.2V92 W98 S99 I100 A333 A337 L457V92-V96 WeakPolarHBondContact O-CG2 3.1Å; V92-V96 PolarHBondContact O-N 3.34Å; V96-W98 VanDerWaalsContact C-N 3.35Å; V96-W98 PolarHBondContact O-N 3.24Å; V96-S99 WeakPolarHBondContact O-CB 3.5Å; V96-S99 PolarHBondContact O-N 3.25Å; V96-S99 VanDerWaalsContact O-N 3.08Å; V96-S99 PolarHBondContact O-OG 3.44Å; V96-I100 HydrophobicContact CG1-CD1 3.67Å; V96-I100 HydrophobicContact CG1-CG1 4.35Å; V96-I100 WeakPolarHBondContact O-CG1 3.3Å; V96-I100 PolarHBondContact O-N 3.5Å; V96-A333 HydrophobicContact CG2-CB 4.23Å; V96-A337 HydrophobicContact CG1-CB 3.61Å; V96-L457 HydrophobicContact CG2-CD2 4.27Å
97T96.5Very high96.1Very high0 Ų09.7 Ų9.70%04%0.044CC..Hα-helixtrans-65.1-35.7178.153.70000113A93 L94 S99 I100 M101 L125 L246A93-T97 WeakPolarHBondContact O-CB 3.23Å; A93-T97 VanDerWaalsContact O-CG2 3.28Å; A93-T97 WeakPolarHBondContact O-CG2 3.28Å; A93-T97 PolarHBondContact O-N 3.25Å; A93-T97 PolarHBondContact O-OG1 3.38Å; L94-T97 WeakPolarHBondContact CA-OG1 3.34Å; L94-T97 PolarHBondContact O-OG1 2.84Å; L94-T97 VanDerWaalsContact O-OG1 3.09Å; T97-S99 VanDerWaalsContact C-N 3.28Å; T97-S99 PolarHBondContact O-N 2.69Å; T97-I100 PolarHBondContact O-N 2.96Å; T97-M101 WeakPolarHBondContact O-CB 3.03Å; T97-M101 WeakPolarHBondContact O-CG 3.04Å; T97-M101 PolarHBondContact O-N 3.09Å; T97-L125 HydrophobicContact CG2-CD1 3.77Å; T97-L246 HydrophobicContact CG2-CD1 3.57Å; T97-L246 HydrophobicContact CG2-CG 4.1Å
98W97.3Very high96.2Very high55 Ų559.9 Ų9.921%0.2085%0.045CC..Hα-helixtrans-60.3-37.9171.3175.131.7000112.2V40 A41 F44 L94 F95 V96 E102 R456V40-W98 HydrophobicContact CG1-CB 4.05Å; A41-W98 HydrophobicContact CB-CD2 4.02Å; A41-W98 HydrophobicContact CB-CG 4.16Å; A41-W98 HydrophobicContact CB-CZ2 4.36Å; F44-W98 HydrophobicContact CD1-CE3 4.29Å; F44-W98 HydrophobicContact CD1-CZ3 4.38Å; L94-W98 VanDerWaalsContact O-CB 3.26Å; L94-W98 WeakPolarHBondContact O-CB 3.27Å; L94-W98 PolarHBondContact O-N 2.82Å; F95-W98 HydrophobicContact CD2-CE3 4.27Å; F95-W98 HydrophobicContact CD2-CZ3 4.42Å; F95-W98 HydrophobicContact CE2-CZ3 4.33Å; F95-W98 PolarHBondContact O-N 3.27Å; V96-W98 VanDerWaalsContact C-N 3.35Å; V96-W98 PolarHBondContact O-N 3.24Å; W98-E102 PolarHBondContact O-N 2.88Å; W98-R456 VanDerWaalsContact CG-NH1 3.27Å; W98-R456 PolarHBondContact O-NH2 2.9Å
99S97.5Very high96.1Very high0 Ų015.3 Ų15.30%07%0.074CC..Hα-helixtrans-66.7-43.3173.675.20000112.7F95 V96 T97 E102 F103 P453 L457F95-S99 PolarHBondContact O-N 3.25Å; F95-S99 VanDerWaalsContact O-N 3.11Å; V96-S99 WeakPolarHBondContact O-CB 3.5Å; V96-S99 PolarHBondContact O-N 3.25Å; V96-S99 VanDerWaalsContact O-N 3.08Å; V96-S99 PolarHBondContact O-OG 3.44Å; T97-S99 VanDerWaalsContact C-N 3.28Å; T97-S99 PolarHBondContact O-N 2.69Å; S99-E102 PolarHBondContact O-N 3.19Å; S99-F103 WeakPolarHBondContact O-CB 3.46Å; S99-F103 PolarHBondContact O-N 2.9Å; S99-P453 WeakPolarHBondContact O-CB 3.25Å; S99-L457 WeakPolarHBondContact OG-CD1 3.33Å; S99-L457 WeakPolarHBondContact OG-CD2 3.28Å; S99-L457 WeakPolarHBondContact OG-CG 3.27Å
100I97.4Very high96Very high0 Ų020.6 Ų20.60%011%0.111CC..Hα-helixtrans-69-40.4-178.6-64.4171.2000111.4V96 T97 E102 F103 S104 L121 P242 A245 L246 M341V96-I100 HydrophobicContact CG1-CD1 3.67Å; V96-I100 HydrophobicContact CG1-CG1 4.35Å; V96-I100 WeakPolarHBondContact O-CG1 3.3Å; V96-I100 PolarHBondContact O-N 3.5Å; T97-I100 PolarHBondContact O-N 2.96Å; I100-E102 VanDerWaalsContact C-N 3.31Å; I100-E102 PolarHBondContact O-N 2.72Å; I100-F103 PolarHBondContact O-N 3.43Å; I100-S104 WeakPolarHBondContact O-CB 3.34Å; I100-S104 PolarHBondContact O-N 2.92Å; I100-S104 PolarHBondContact O-OG 2.88Å; I100-L121 HydrophobicContact CG2-CD1 4.18Å; I100-P242 HydrophobicContact CG2-CB 3.89Å; I100-P242 WeakPolarHBondContact CG2-O 3.01Å; I100-A245 HydrophobicContact CD1-CB 4.01Å; I100-A245 HydrophobicContact CG1-CB 4.25Å; I100-L246 VanDerWaalsContact CD1-CA 3.49Å; I100-L246 HydrophobicContact CD1-CB 3.63Å; I100-L246 HydrophobicContact CD1-CD1 4.19Å; I100-L246 HydrophobicContact CD1-CG 4Å; I100-L246 HydrophobicContact CG2-CB 4.39Å; I100-L246 HydrophobicContact CG2-CD1 4.29Å; I100-M341 HydrophobicContact CG1-SD 4.46Å
101M95.9Very high95.9Very high0 Ų021.3 Ų21.30%012%0.115CC..Hα-helixtrans-64.7-33.9176.1-71.5-67.9-142.300112.2V36 T97 S104 F118 L121 L122V36-M101 HydrophobicContact CG1-CE 3.5Å; V36-M101 VanDerWaalsContact CG1-CE 3.5Å; T97-M101 WeakPolarHBondContact O-CB 3.03Å; T97-M101 WeakPolarHBondContact O-CG 3.04Å; T97-M101 PolarHBondContact O-N 3.09Å; M101-S104 WeakPolarHBondContact CA-OG 3.41Å; M101-S104 PolarHBondContact O-OG 2.95Å; M101-F118 HydrophobicContact CB-CE1 4.07Å; M101-F118 HydrophobicContact CE-CD1 4.14Å; M101-F118 HydrophobicContact CG-CE1 4.46Å; M101-F118 WeakPolarHBondContact O-CE1 3.35Å; M101-F118 WeakPolarHBondContact O-CZ 3.22Å; M101-F118 HydrophobicContact SD-CD1 3.4Å; M101-F118 WeakPolarHBondContact SD-CD1 3.38Å; M101-F118 HydrophobicContact SD-CE1 3.6Å; M101-F118 HydrophobicContact SD-CG 4.3Å; M101-L121 HydrophobicContact CE-CB 4.04Å; M101-L121 HydrophobicContact CE-CD2 3.48Å; M101-L121 VanDerWaalsContact CE-CD2 3.48Å; M101-L121 HydrophobicContact CE-CG 4.19Å; M101-L121 HydrophobicContact CG-CD2 4.19Å; M101-L121 HydrophobicContact SD-CB 4.16Å; M101-L121 HydrophobicContact SD-CD1 3.68Å; M101-L121 HydrophobicContact SD-CD2 3.59Å; M101-L121 VanDerWaalsContact SD-CD2 3.59Å; M101-L121 HydrophobicContact SD-CG 3.99Å; M101-L122 HydrophobicContact CE-CB 4.28Å
102E97.1Very high95.6Very high11 Ų1126.1 Ų26.15%0.05115%0.146CC..Hα-helixtrans-72.2-41.1173-174.6168.6-146.900111.4K37 W98 S99 I100 S104 L105 P453 R456K37-E102 HydrophobicContact CD-CB 4.14Å; K37-E102 HydrophobicContact CD-CG 4.29Å; K37-E102 IonicContact NZ-OE1 3.53Å; K37-E102 PolarHBondContact NZ-OE1 3.41Å; K37-E102 IonicContact NZ-OE2 2.72Å; W98-E102 PolarHBondContact O-N 2.88Å; S99-E102 PolarHBondContact O-N 3.19Å; I100-E102 VanDerWaalsContact C-N 3.31Å; I100-E102 PolarHBondContact O-N 2.72Å; E102-S104 VanDerWaalsContact C-N 3.34Å; E102-S104 PolarHBondContact O-N 3.47Å; E102-L105 WeakPolarHBondContact O-CB 3.26Å; E102-L105 PolarHBondContact O-N 3.44Å; E102-P453 HydrophobicContact CB-CB 4.38Å; E102-P453 HydrophobicContact CB-CG 4.35Å; E102-P453 HydrophobicContact CG-CG 4.28Å; E102-R456 IonicContact OE2-CZ 3.19Å; E102-R456 IonicContact OE2-NE 3.45Å; E102-R456 IonicContact OE2-NH2 2.89Å; E102-R456 PolarHBondContact OE2-NH2 2.98Å
103F97.3Very high95.4Very high0 Ų029.5 Ų29.50%016%0.164CC..Hα-helixtrans-62.9-38.2175.7175.7-101000112.5S99 I100 L105 W106 Y107 P242 M341 L450 P453S99-F103 WeakPolarHBondContact O-CB 3.46Å; S99-F103 PolarHBondContact O-N 2.9Å; I100-F103 PolarHBondContact O-N 3.43Å; F103-L105 VanDerWaalsContact C-N 3.28Å; F103-L105 PolarHBondContact O-N 3.46Å; F103-W106 HydrophobicContact CD2-CE3 4.33Å; F103-W106 AromaticContact CE2-CE3 3.82Å; F103-W106 HydrophobicContact CE2-CE3 3.82Å; F103-W106 AromaticContact CE2-CZ3 3.85Å; F103-W106 HydrophobicContact CE2-CZ3 3.85Å; F103-W106 HydrophobicContact CZ-CE3 4.29Å; F103-W106 HydrophobicContact CZ-CZ3 4.15Å; F103-W106 PolarHBondContact O-N 2.64Å; F103-W106 VanDerWaalsContact O-N 3.1Å; F103-Y107 AromaticContact CE1-CD2 3.98Å; F103-Y107 HydrophobicContact CE1-CD2 3.98Å; F103-Y107 HydrophobicContact CE1-CG 4.02Å; F103-Y107 AromaticContact CZ-CD2 3.79Å; F103-Y107 HydrophobicContact CZ-CD2 3.79Å; F103-Y107 HydrophobicContact CZ-CG 4.24Å; F103-Y107 PolarHBondContact O-N 3.46Å; F103-P242 HydrophobicContact CD1-CB 4.21Å; F103-P242 HydrophobicContact CD1-CG 3.91Å; F103-P242 HydrophobicContact CE1-CG 3.89Å; F103-M341 HydrophobicContact CB-CG 4.44Å; F103-M341 HydrophobicContact CB-SD 3.85Å; F103-M341 HydrophobicContact CD1-CG 4.21Å; F103-M341 HydrophobicContact CD2-CB 4.28Å; F103-M341 HydrophobicContact CD2-CG 4.32Å; F103-M341 HydrophobicContact CE2-CB 4.34Å; F103-M341 HydrophobicContact CG-CG 4.07Å; F103-M341 HydrophobicContact CG-SD 4.11Å; F103-L450 HydrophobicContact CD2-CD1 3.74Å; F103-L450 HydrophobicContact CE2-CD1 3.56Å; F103-P453 HydrophobicContact CB-CG 4.15Å
104S96.3Very high95.2Very high0 Ų030.9 Ų30.90%017%0.171CC..Hα-helixtrans-67.9-24.3179.357.70000113.5I100 M101 E102 W106 M108 F118I100-S104 WeakPolarHBondContact O-CB 3.34Å; I100-S104 PolarHBondContact O-N 2.92Å; I100-S104 PolarHBondContact O-OG 2.88Å; M101-S104 WeakPolarHBondContact CA-OG 3.41Å; M101-S104 PolarHBondContact O-OG 2.95Å; E102-S104 VanDerWaalsContact C-N 3.34Å; E102-S104 PolarHBondContact O-N 3.47Å; S104-W106 PolarHBondContact O-N 3.28Å; S104-M108 WeakPolarHBondContact O-CB 3.39Å; S104-M108 PolarHBondContact O-N 3.01Å; S104-F118 WeakPolarHBondContact OG-CE2 3.28Å; S104-F118 WeakPolarHBondContact OG-CZ 3.46Å
105L95.7Very high95Very high16 Ų1633 Ų338%0.08418%0.183CC..Hα-helixtrans-60.5-36.9170.6-66.6170.9000111.6P33 K37 E102 F103 F118 T449P33-L105 HydrophobicContact CB-CD2 3.26Å; P33-L105 HydrophobicContact CG-CD2 4.45Å; K37-L105 HydrophobicContact CD-CD1 3.97Å; E102-L105 WeakPolarHBondContact O-CB 3.26Å; E102-L105 PolarHBondContact O-N 3.44Å; F103-L105 VanDerWaalsContact C-N 3.28Å; F103-L105 PolarHBondContact O-N 3.46Å; L105-F118 HydrophobicContact CD2-CE1 4.3Å; L105-F118 HydrophobicContact CD2-CE2 4.24Å; L105-F118 HydrophobicContact CD2-CZ 3.62Å; L105-F118 HydrophobicContact CG-CZ 3.88Å; L105-T449 HydrophobicContact CB-CG2 4.5Å
106W96.1Very high94.8Very high23 Ų2334.9 Ų34.99%0.08719%0.191CC..Hα-helixtrans-79.7-49.9176.8175.975.4000111.4F103 S104 H348 N447 L450F103-W106 HydrophobicContact CD2-CE3 4.33Å; F103-W106 AromaticContact CE2-CE3 3.82Å; F103-W106 HydrophobicContact CE2-CE3 3.82Å; F103-W106 AromaticContact CE2-CZ3 3.85Å; F103-W106 HydrophobicContact CE2-CZ3 3.85Å; F103-W106 HydrophobicContact CZ-CE3 4.29Å; F103-W106 HydrophobicContact CZ-CZ3 4.15Å; F103-W106 PolarHBondContact O-N 2.64Å; F103-W106 VanDerWaalsContact O-N 3.1Å; S104-W106 PolarHBondContact O-N 3.28Å; W106-H348 HydrophobicContact CH2-CB 3.59Å; W106-H348 AromaticContact CH2-CG 3.71Å; W106-H348 AromaticContact CH2-ND1 3.49Å; W106-H348 WeakPolarHBondContact CH2-ND1 3.36Å; W106-H348 HydrophobicContact CZ2-CB 4.45Å; W106-H348 AromaticContact CZ2-ND1 3.46Å; W106-H348 WeakPolarHBondContact CZ2-ND1 3.14Å; W106-H348 HydrophobicContact CZ3-CB 3.93Å; W106-N447 PolarHBondContact NE1-ND2 2.87Å; W106-L450 HydrophobicContact CD2-CB 4.1Å; W106-L450 HydrophobicContact CD2-CD1 4.33Å; W106-L450 HydrophobicContact CD2-CD2 4.43Å; W106-L450 HydrophobicContact CE3-CB 4.49Å; W106-L450 HydrophobicContact CE3-CD1 3.9Å; W106-L450 HydrophobicContact CG-CB 4.15Å; W106-L450 HydrophobicContact CH2-CD1 4.36Å; W106-L450 HydrophobicContact CH2-CD2 4.05Å; W106-L450 HydrophobicContact CZ2-CD2 3.9Å; W106-L450 HydrophobicContact CZ3-CD1 3.93Å; W106-L450 HydrophobicContact CZ3-CD2 4.42Å
107Y95.9Very high94.7Very high14 Ų1434.9 Ų34.96%0.05519%0.191CC..Hα-helixtrans-69.8-36.8-171.3-171.2-87.9000113.6F103 P240 T241 P242 H348F103-Y107 AromaticContact CE1-CD2 3.98Å; F103-Y107 HydrophobicContact CE1-CD2 3.98Å; F103-Y107 HydrophobicContact CE1-CG 4.02Å; F103-Y107 AromaticContact CZ-CD2 3.79Å; F103-Y107 HydrophobicContact CZ-CD2 3.79Å; F103-Y107 HydrophobicContact CZ-CG 4.24Å; F103-Y107 PolarHBondContact O-N 3.46Å; Y107-P240 HydrophobicContact CE1-CB 4.37Å; Y107-T241 WeakPolarHBondContact CD2-OG1 3.28Å; Y107-T241 HydrophobicContact CE2-CG2 4.14Å; Y107-T241 WeakPolarHBondContact CE2-OG1 3.47Å; Y107-P242 HydrophobicContact CD1-CG 3.84Å; Y107-P242 HydrophobicContact CG-CG 4.13Å; Y107-H348 HydrophobicContact CD2-CB 4.16Å; Y107-H348 HydrophobicContact CE2-CB 4.01Å
108M94.7Very high94.6Very high6 Ų634.9 Ų34.93%0.0319%0.191CC..THydrogen-bonded Turntrans-101.617.4-176.7-61.8-63.9-69.800113S104 S110 D111 I114 F117 P240S104-M108 WeakPolarHBondContact O-CB 3.39Å; S104-M108 PolarHBondContact O-N 3.01Å; M108-S110 PolarHBondContact O-N 3.08Å; M108-D111 HydrophobicContact CE-CB 3.91Å; M108-D111 WeakPolarHBondContact CE-OD2 3.43Å; M108-D111 PolarHBondContact O-N 2.9Å; M108-I114 HydrophobicContact CB-CD1 4.36Å; M108-I114 HydrophobicContact CB-CG1 4.37Å; M108-F117 HydrophobicContact CE-CD2 4.34Å; M108-F117 HydrophobicContact CG-CD1 4.38Å; M108-F117 HydrophobicContact CG-CE1 4.24Å; M108-F117 HydrophobicContact CG-CZ 4.45Å; M108-P240 HydrophobicContact SD-CB 4.21Å
109N92Very high94.4Very high129 Ų12935.1 Ų35.169%0.6919%0.194SC*.THydrogen-bonded Turntrans-62.4-26.8-175-16931.5000113.4D111N109-D111 VanDerWaalsContact C-N 3.35Å
110S91.3Very high94.3Very high110 Ų11037.1 Ų37.177%0.76920%0.202SC*.THydrogen-bonded Turntrans-80.6-12.9177.855.20000113.9M108M108-S110 PolarHBondContact O-N 3.08Å
111D92.9Very high94.2Very high25 Ų2537.1 Ų37.113%0.13420%0.202CC..  trans-84.9122.4-175.1-166.1-26.1000110.9M108 N109 N113 I114 W157M108-D111 HydrophobicContact CE-CB 3.91Å; M108-D111 WeakPolarHBondContact CE-OD2 3.43Å; M108-D111 PolarHBondContact O-N 2.9Å; N109-D111 VanDerWaalsContact C-N 3.35Å; D111-N113 PolarHBondContact O-N 2.87Å; D111-N113 PolarHBondContact OD1-N 3.3Å; D111-I114 PolarHBondContact O-N 3.49Å; D111-W157 PolarHBondContact OD2-NE1 2.93Å
112P90.7Very high94.2Very high115 Ų11537.1 Ų37.175%0.74720%0.202SC*.THydrogen-bonded Turntrans-61-26.5177.125.7-35.8000113.3I114P112-I114 PolarHBondContact O-N 3.28Å
113N92.2Very high94.1Very high81 Ų8138.5 Ų38.543%0.43321%0.209SC..THydrogen-bonded Turntrans-97.525.4-174.7-67.6-27.9000113.5D111 N115 Q116 F117 W157D111-N113 PolarHBondContact O-N 2.87Å; D111-N113 PolarHBondContact OD1-N 3.3Å; N113-N115 PolarHBondContact O-N 2.84Å; N113-N115 VanDerWaalsContact O-N 3.13Å; N113-Q116 WeakPolarHBondContact O-CB 3.45Å; N113-Q116 PolarHBondContact O-N 3.36Å; N113-F117 PolarHBondContact O-N 3.46Å; N113-W157 HydrophobicContact CB-CH2 4.12Å; N113-W157 HydrophobicContact CB-CZ2 3.95Å
114I92.3Very high94.1Very high29 Ų2938.5 Ų38.515%0.14921%0.209CC..Hα-helixtrans-52.7-36.7-179.7-167.1171.4000113.4P33 M108 D111 P112 Q116 F117 F118P33-I114 HydrophobicContact CG-CD1 4.37Å; P33-I114 HydrophobicContact CG-CG1 4.26Å; P33-I114 HydrophobicContact CG-CG2 4.23Å; M108-I114 HydrophobicContact CB-CD1 4.36Å; M108-I114 HydrophobicContact CB-CG1 4.37Å; D111-I114 PolarHBondContact O-N 3.49Å; P112-I114 PolarHBondContact O-N 3.28Å; I114-Q116 VanDerWaalsContact C-N 3.34Å; I114-Q116 PolarHBondContact O-N 2.78Å; I114-F117 WeakPolarHBondContact O-CB 3.24Å; I114-F117 PolarHBondContact O-N 3.5Å; I114-F118 HydrophobicContact CD1-CE2 3.95Å; I114-F118 HydrophobicContact CG1-CD2 3.78Å; I114-F118 HydrophobicContact CG1-CE2 3.66Å; I114-F118 WeakPolarHBondContact O-CD2 3.07Å; I114-F118 PolarHBondContact O-N 2.63Å
115N92Very high94Very high47 Ų4738.5 Ų38.525%0.25121%0.209SC..Hα-helixtrans-62.9-40.3178.7-69.3-13.3000112.5Y32 P33 N113 F117 F118 K119Y32-N115 HydrophobicContact CD1-CB 3.96Å; Y32-N115 WeakPolarHBondContact CE1-O 3.23Å; P33-N115 WeakPolarHBondContact CD-OD1 3.33Å; P33-N115 WeakPolarHBondContact CG-OD1 3.26Å; N113-N115 PolarHBondContact O-N 2.84Å; N113-N115 VanDerWaalsContact O-N 3.13Å; N115-F117 VanDerWaalsContact C-N 3.34Å; N115-F118 PolarHBondContact O-N 3.05Å; N115-K119 PolarHBondContact O-N 2.71Å
116Q92.5Very high94Very high71 Ų7139.1 Ų39.133%0.33221%0.212SC..Hα-helixtrans-68.2-37.4177.3179.7179.41.800111N113 I114 K119 Y120 W157N113-Q116 WeakPolarHBondContact O-CB 3.45Å; N113-Q116 PolarHBondContact O-N 3.36Å; I114-Q116 VanDerWaalsContact C-N 3.34Å; I114-Q116 PolarHBondContact O-N 2.78Å; Q116-K119 WeakPolarHBondContact O-CB 3.21Å; Q116-K119 PolarHBondContact O-N 2.97Å; Q116-Y120 HydrophobicContact CG-CD2 4.37Å; Q116-Y120 HydrophobicContact CG-CE1 4.19Å; Q116-Y120 HydrophobicContact CG-CE2 3.9Å; Q116-Y120 PolarHBondContact NE2-OH 3.38Å; Q116-Y120 PolarHBondContact O-N 3.31Å; Q116-W157 HydrophobicContact CB-CH2 4.05Å; Q116-W157 HydrophobicContact CG-CH2 4.1Å; Q116-W157 HydrophobicContact CG-CZ3 4.14Å
117F94.6Very high94.1Very high0 Ų038.9 Ų38.90%021%0.213CC..Hα-helixtrans-59.3-49.5174.3-177.6-96.1000111.8M108 N113 I114 N115 K119 Y120 L121 L154 W157 P240 P242 V243M108-F117 HydrophobicContact CE-CD2 4.34Å; M108-F117 HydrophobicContact CG-CD1 4.38Å; M108-F117 HydrophobicContact CG-CE1 4.24Å; M108-F117 HydrophobicContact CG-CZ 4.45Å; N113-F117 PolarHBondContact O-N 3.46Å; I114-F117 WeakPolarHBondContact O-CB 3.24Å; I114-F117 PolarHBondContact O-N 3.5Å; N115-F117 VanDerWaalsContact C-N 3.34Å; F117-K119 VanDerWaalsContact C-N 3.31Å; F117-K119 PolarHBondContact O-N 3.06Å; F117-Y120 PolarHBondContact O-N 2.88Å; F117-L121 HydrophobicContact CE1-CD1 4.01Å; F117-L121 HydrophobicContact CZ-CD1 4.44Å; F117-L121 WeakPolarHBondContact O-CB 3.49Å; F117-L121 PolarHBondContact O-N 3.34Å; F117-L154 HydrophobicContact CD2-CD2 4.4Å; F117-L154 HydrophobicContact CE2-CD2 4.27Å; F117-W157 HydrophobicContact CB-CH2 3.67Å; F117-W157 HydrophobicContact CB-CZ2 3.82Å; F117-W157 HydrophobicContact CB-CZ3 4.16Å; F117-W157 HydrophobicContact CD2-CD2 4.03Å; F117-W157 HydrophobicContact CD2-CE3 4.16Å; F117-W157 HydrophobicContact CD2-CH2 4.45Å; F117-W157 HydrophobicContact CD2-CZ2 4.32Å; F117-W157 HydrophobicContact CD2-CZ3 4.37Å; F117-P240 HydrophobicContact CE2-CG 3.83Å; F117-P240 HydrophobicContact CZ-CG 4.44Å; F117-P242 HydrophobicContact CE1-CB 4.46Å; F117-P242 HydrophobicContact CZ-CB 4.18Å; F117-P242 HydrophobicContact CZ-CG 4.44Å; F117-V243 HydrophobicContact CE2-CG2 3.5Å; F117-V243 HydrophobicContact CZ-CG2 3.68Å
118F94.3Very high94Very high0 Ų038.2 Ų38.20%021%0.211CC..Hα-helixtrans-64.2-34.4177.1-86.4-101.7000112.6Y32 P33 V36 M101 S104 L105 I114 N115 L122Y32-F118 HydrophobicContact CD1-CB 4.36Å; Y32-F118 HydrophobicContact CE1-CB 3.9Å; P33-F118 HydrophobicContact CB-CD1 4.13Å; P33-F118 HydrophobicContact CB-CD2 3.89Å; P33-F118 HydrophobicContact CB-CE1 3.99Å; P33-F118 HydrophobicContact CB-CE2 3.75Å; P33-F118 HydrophobicContact CB-CG 4.08Å; P33-F118 HydrophobicContact CB-CZ 3.78Å; P33-F118 HydrophobicContact CG-CD2 4.19Å; P33-F118 HydrophobicContact CG-CE2 4.34Å; V36-F118 HydrophobicContact CB-CD1 4.22Å; V36-F118 HydrophobicContact CG1-CD1 4.4Å; M101-F118 HydrophobicContact CB-CE1 4.07Å; M101-F118 HydrophobicContact CE-CD1 4.14Å; M101-F118 HydrophobicContact CG-CE1 4.46Å; M101-F118 WeakPolarHBondContact O-CE1 3.35Å; M101-F118 WeakPolarHBondContact O-CZ 3.22Å; M101-F118 HydrophobicContact SD-CD1 3.4Å; M101-F118 WeakPolarHBondContact SD-CD1 3.38Å; M101-F118 HydrophobicContact SD-CE1 3.6Å; M101-F118 HydrophobicContact SD-CG 4.3Å; S104-F118 WeakPolarHBondContact OG-CE2 3.28Å; S104-F118 WeakPolarHBondContact OG-CZ 3.46Å; L105-F118 HydrophobicContact CD2-CE1 4.3Å; L105-F118 HydrophobicContact CD2-CE2 4.24Å; L105-F118 HydrophobicContact CD2-CZ 3.62Å; L105-F118 HydrophobicContact CG-CZ 3.88Å; I114-F118 HydrophobicContact CD1-CE2 3.95Å; I114-F118 HydrophobicContact CG1-CD2 3.78Å; I114-F118 HydrophobicContact CG1-CE2 3.66Å; I114-F118 WeakPolarHBondContact O-CD2 3.07Å; I114-F118 PolarHBondContact O-N 2.63Å; N115-F118 PolarHBondContact O-N 3.05Å; F118-L122 WeakPolarHBondContact O-CB 3.4Å; F118-L122 PolarHBondContact O-N 3.04Å
119K94.1Very high94.1Very high60 Ų6038.1 Ų38.126%0.26121%0.21SC..Hα-helixtrans-62.3-47.6172.8-176.1-177.868.6177.80111.5T22 N115 Q116 F117 L122 I123T22-K119 HydrophobicContact CG2-CD 4.18Å; T22-K119 HydrophobicContact CG2-CG 4.48Å; T22-K119 WeakPolarHBondContact OG1-CD 3.46Å; N115-K119 PolarHBondContact O-N 2.71Å; Q116-K119 WeakPolarHBondContact O-CB 3.21Å; Q116-K119 PolarHBondContact O-N 2.97Å; F117-K119 VanDerWaalsContact C-N 3.31Å; F117-K119 PolarHBondContact O-N 3.06Å; K119-L122 PolarHBondContact O-N 3.24Å; K119-I123 HydrophobicContact CG-CD1 3.95Å; K119-I123 VanDerWaalsContact O-CG1 3.31Å; K119-I123 WeakPolarHBondContact O-CG1 3.25Å; K119-I123 PolarHBondContact O-N 3.22Å
120Y95.8Very high94.2Very high42 Ų4234.2 Ų34.217%0.16519%0.189CC..Hα-helixtrans-64.9-40.6178.4-68.4-13.8000112.4Q116 F117 L122 I123 F124 L153 L154 W157Q116-Y120 HydrophobicContact CG-CD2 4.37Å; Q116-Y120 HydrophobicContact CG-CE1 4.19Å; Q116-Y120 HydrophobicContact CG-CE2 3.9Å; Q116-Y120 PolarHBondContact NE2-OH 3.38Å; Q116-Y120 PolarHBondContact O-N 3.31Å; F117-Y120 PolarHBondContact O-N 2.88Å; Y120-L122 VanDerWaalsContact C-N 3.32Å; Y120-L122 PolarHBondContact O-N 3.41Å; Y120-I123 PolarHBondContact O-N 2.67Å; Y120-F124 VanDerWaalsContact O-CB 3.28Å; Y120-F124 WeakPolarHBondContact O-CB 3.46Å; Y120-F124 PolarHBondContact O-N 3.03Å; Y120-L153 HydrophobicContact CD2-CB 4.38Å; Y120-L153 HydrophobicContact CE2-CB 4.29Å; Y120-L154 HydrophobicContact CD2-CD2 4.37Å; Y120-W157 HydrophobicContact CD2-CE3 4.21Å; Y120-W157 AromaticContact CD2-CZ3 3.76Å; Y120-W157 HydrophobicContact CD2-CZ3 3.76Å; Y120-W157 HydrophobicContact CE2-CE3 4.4Å; Y120-W157 AromaticContact CE2-CZ3 3.88Å; Y120-W157 HydrophobicContact CE2-CZ3 3.88Å
121L95.1Very high94.5Very high1 Ų129 Ų291%0.00515%0.153CC..Hα-helixtrans-63.7-38.9176.1-158.4166.3000111.3I100 M101 F117 F124 L125 L246I100-L121 HydrophobicContact CG2-CD1 4.18Å; M101-L121 HydrophobicContact CE-CB 4.04Å; M101-L121 HydrophobicContact CE-CD2 3.48Å; M101-L121 VanDerWaalsContact CE-CD2 3.48Å; M101-L121 HydrophobicContact CE-CG 4.19Å; M101-L121 HydrophobicContact CG-CD2 4.19Å; M101-L121 HydrophobicContact SD-CB 4.16Å; M101-L121 HydrophobicContact SD-CD1 3.68Å; M101-L121 HydrophobicContact SD-CD2 3.59Å; M101-L121 VanDerWaalsContact SD-CD2 3.59Å; M101-L121 HydrophobicContact SD-CG 3.99Å; F117-L121 HydrophobicContact CE1-CD1 4.01Å; F117-L121 HydrophobicContact CZ-CD1 4.44Å; F117-L121 WeakPolarHBondContact O-CB 3.49Å; F117-L121 PolarHBondContact O-N 3.34Å; L121-F124 WeakPolarHBondContact O-CB 3.18Å; L121-F124 PolarHBondContact O-N 3.45Å; L121-L125 PolarHBondContact O-N 3.09Å; L121-L246 HydrophobicContact CD1-CD1 4.12Å; L121-L246 HydrophobicContact CD2-CD1 3.16Å; L121-L246 HydrophobicContact CG-CD1 3.69Å
122L95.2Very high94.6Very high0 Ų027.9 Ų27.90%015%0.146CC..Hα-helixtrans-68.4-44.4175.3-176.666.7000112.8L15 P18 I19 V36 V40 M101 F118 K119 Y120 F124 L125 I126L15-L122 HydrophobicContact CB-CD1 4.35Å; L15-L122 HydrophobicContact CD2-CD1 3.92Å; P18-L122 HydrophobicContact CB-CD2 3.53Å; P18-L122 HydrophobicContact CG-CD2 3.7Å; I19-L122 HydrophobicContact CD1-CD2 4.3Å; I19-L122 HydrophobicContact CD1-CG 4.38Å; I19-L122 HydrophobicContact CG1-CD2 3.72Å; I19-L122 HydrophobicContact CG1-CG 4.29Å; V36-L122 HydrophobicContact CG1-CB 4.33Å; V36-L122 HydrophobicContact CG1-CD1 4.25Å; V36-L122 HydrophobicContact CG1-CD2 4.17Å; V40-L122 HydrophobicContact CG2-CD1 4.26Å; M101-L122 HydrophobicContact CE-CB 4.28Å; F118-L122 WeakPolarHBondContact O-CB 3.4Å; F118-L122 PolarHBondContact O-N 3.04Å; K119-L122 PolarHBondContact O-N 3.24Å; Y120-L122 VanDerWaalsContact C-N 3.32Å; Y120-L122 PolarHBondContact O-N 3.41Å; L122-F124 VanDerWaalsContact C-N 3.25Å; L122-F124 PolarHBondContact O-N 3.33Å; L122-L125 HydrophobicContact CD1-CD2 4.37Å; L122-L125 WeakPolarHBondContact O-CB 3.49Å; L122-L125 PolarHBondContact O-N 3.4Å; L122-L125 VanDerWaalsContact O-N 3.13Å; L122-I126 HydrophobicContact CG-CD1 4.45Å; L122-I126 WeakPolarHBondContact O-CG1 3.48Å; L122-I126 PolarHBondContact O-N 2.8Å
123I95.9Very high94.8Very high39 Ų3922.4 Ų22.420%0.211%0.111CC..Hα-helixtrans-60.2-41.6175.7-66.3164000109.9I19 K119 Y120 L125 I126 T127 M150I19-I123 HydrophobicContact CD1-CG1 3.71Å; I19-I123 HydrophobicContact CG1-CG1 4.31Å; K119-I123 HydrophobicContact CG-CD1 3.95Å; K119-I123 VanDerWaalsContact O-CG1 3.31Å; K119-I123 WeakPolarHBondContact O-CG1 3.25Å; K119-I123 PolarHBondContact O-N 3.22Å; Y120-I123 PolarHBondContact O-N 2.67Å; I123-L125 VanDerWaalsContact C-N 3.34Å; I123-L125 PolarHBondContact O-N 3.42Å; I123-I126 PolarHBondContact O-N 3.01Å; I123-T127 HydrophobicContact CG2-CG2 4.4Å; I123-T127 WeakPolarHBondContact O-CG2 3.37Å; I123-T127 PolarHBondContact O-N 3.11Å; I123-T127 PolarHBondContact O-OG1 3.19Å; I123-M150 HydrophobicContact CB-CG 4.48Å; I123-M150 HydrophobicContact CB-SD 3.96Å; I123-M150 HydrophobicContact CG2-CE 3.72Å; I123-M150 HydrophobicContact CG2-CG 3.87Å; I123-M150 HydrophobicContact CG2-SD 3.55Å; I123-M150 VanDerWaalsContact CG2-SD 3.55Å
124F96.2Very high94.9Very high0 Ų018.8 Ų18.80%09%0.093CC..Hα-helixtrans-58.9-43.6174.5179.9-78.7000112.2Y120 L121 L122 I126 T127 M128 V147 M150 L154 L246 L247 T251 M252Y120-F124 VanDerWaalsContact O-CB 3.28Å; Y120-F124 WeakPolarHBondContact O-CB 3.46Å; Y120-F124 PolarHBondContact O-N 3.03Å; L121-F124 WeakPolarHBondContact O-CB 3.18Å; L121-F124 PolarHBondContact O-N 3.45Å; L122-F124 VanDerWaalsContact C-N 3.25Å; L122-F124 PolarHBondContact O-N 3.33Å; F124-I126 VanDerWaalsContact C-N 3.34Å; F124-I126 PolarHBondContact O-N 3.41Å; F124-T127 PolarHBondContact O-N 3.4Å; F124-T127 PolarHBondContact O-OG1 3.36Å; F124-M128 PolarHBondContact O-N 3.37Å; F124-V147 HydrophobicContact CE2-CB 4.28Å; F124-V147 HydrophobicContact CE2-CG1 3.63Å; F124-V147 HydrophobicContact CE2-CG2 4.48Å; F124-V147 HydrophobicContact CZ-CG1 3.85Å; F124-M150 HydrophobicContact CB-CB 3.94Å; F124-M150 HydrophobicContact CB-CG 4.35Å; F124-M150 HydrophobicContact CD2-CB 3.69Å; F124-M150 HydrophobicContact CG-CB 4.3Å; F124-L154 HydrophobicContact CB-CD1 4.3Å; F124-L154 HydrophobicContact CD2-CD1 4.38Å; F124-L154 HydrophobicContact CG-CD1 4.42Å; F124-L246 HydrophobicContact CD1-CD2 3.17Å; F124-L246 HydrophobicContact CE1-CD2 3.02Å; F124-L246 HydrophobicContact CG-CD2 4.23Å; F124-L246 HydrophobicContact CZ-CD2 3.96Å; F124-L247 HydrophobicContact CD2-CD2 3.79Å; F124-L247 HydrophobicContact CE1-CD2 4.13Å; F124-L247 HydrophobicContact CE2-CD2 3.09Å; F124-L247 HydrophobicContact CZ-CD2 3.32Å; F124-T251 VanDerWaalsContact CE1-CB 3.41Å; F124-T251 HydrophobicContact CE1-CG2 3.81Å; F124-T251 WeakPolarHBondContact CE1-OG1 3.45Å; F124-T251 WeakPolarHBondContact CZ-OG1 3.47Å; F124-M252 HydrophobicContact CE2-CB 4.37Å; F124-M252 HydrophobicContact CZ-CB 4.06Å
125L95.5Very high95Very high0 Ų017.9 Ų17.90%09%0.088CC..Hα-helixtrans-61.6-43.2175.717366.4000111.3L15 V40 L94 T97 L121 L122 I123 M128 L129L15-L125 HydrophobicContact CD1-CD2 3.97Å; L15-L125 HydrophobicContact CD1-CG 4.2Å; L15-L125 HydrophobicContact CD2-CD2 4.01Å; V40-L125 HydrophobicContact CG1-CD2 4.33Å; V40-L125 HydrophobicContact CG2-CD2 4.17Å; L94-L125 HydrophobicContact CD2-CD1 4.15Å; L94-L125 HydrophobicContact CD2-CD2 3.84Å; L94-L125 HydrophobicContact CD2-CG 4.43Å; T97-L125 HydrophobicContact CG2-CD1 3.77Å; L121-L125 PolarHBondContact O-N 3.09Å; L122-L125 HydrophobicContact CD1-CD2 4.37Å; L122-L125 WeakPolarHBondContact O-CB 3.49Å; L122-L125 PolarHBondContact O-N 3.4Å; L122-L125 VanDerWaalsContact O-N 3.13Å; I123-L125 VanDerWaalsContact C-N 3.34Å; I123-L125 PolarHBondContact O-N 3.42Å; L125-M128 PolarHBondContact O-N 2.97Å; L125-L129 HydrophobicContact CD1-CD1 4.12Å; L125-L129 HydrophobicContact CD1-CG 4.24Å; L125-L129 HydrophobicContact CG-CD1 4.07Å; L125-L129 WeakPolarHBondContact O-CG 3.45Å; L125-L129 PolarHBondContact O-N 3.24Å
126I95.8Very high95.1Very high29 Ų2915.9 Ų15.915%0.1498%0.077CC..Hα-helixtrans-64-45.9179.2-67.1174.8000111.1L15 I19 L122 I123 F124 M128 L129 I130L15-I126 HydrophobicContact CB-CD1 3.92Å; L15-I126 HydrophobicContact CB-CG1 3.8Å; L15-I126 HydrophobicContact CD1-CG1 4.17Å; I19-I126 HydrophobicContact CD1-CD1 3.26Å; I19-I126 HydrophobicContact CG1-CD1 4.44Å; L122-I126 HydrophobicContact CG-CD1 4.45Å; L122-I126 WeakPolarHBondContact O-CG1 3.48Å; L122-I126 PolarHBondContact O-N 2.8Å; I123-I126 PolarHBondContact O-N 3.01Å; F124-I126 VanDerWaalsContact C-N 3.34Å; F124-I126 PolarHBondContact O-N 3.41Å; I126-M128 VanDerWaalsContact C-N 3.27Å; I126-M128 PolarHBondContact O-N 2.92Å; I126-L129 PolarHBondContact O-N 3.03Å; I126-I130 HydrophobicContact CG2-CD1 3.82Å; I126-I130 HydrophobicContact CG2-CG1 4.38Å; I126-I130 VanDerWaalsContact O-CG1 3.3Å; I126-I130 WeakPolarHBondContact O-CG1 3.39Å; I126-I130 PolarHBondContact O-N 3.48Å
127T96.2Very high95.1Very high18 Ų1812.5 Ų12.511%0.116%0.062CC..Hα-helixtrans-63.5-35.6178.655.50000111.7I123 F124 I130 L131 G143 V147I123-T127 HydrophobicContact CG2-CG2 4.4Å; I123-T127 WeakPolarHBondContact O-CG2 3.37Å; I123-T127 PolarHBondContact O-N 3.11Å; I123-T127 PolarHBondContact O-OG1 3.19Å; F124-T127 PolarHBondContact O-N 3.4Å; F124-T127 PolarHBondContact O-OG1 3.36Å; T127-I130 PolarHBondContact O-N 3.11Å; T127-L131 PolarHBondContact O-N 3.21Å; T127-G143 WeakPolarHBondContact O-CA 3.39Å; T127-V147 WeakPolarHBondContact OG1-CG2 3.37Å
128M95.6Very high95.1Very high1 Ų115.4 Ų15.41%0.0057%0.074CC..Hα-helixtrans-67.1-41.8173.5-172.762-166.600112.6F89 F124 L125 I126 I130 L131 V132 V147 T251 A255F89-M128 HydrophobicContact CE1-CE 3.71Å; F89-M128 HydrophobicContact CE1-CG 4.3Å; F89-M128 HydrophobicContact CZ-CE 3.52Å; F124-M128 PolarHBondContact O-N 3.37Å; L125-M128 PolarHBondContact O-N 2.97Å; I126-M128 VanDerWaalsContact C-N 3.27Å; I126-M128 PolarHBondContact O-N 2.92Å; M128-I130 VanDerWaalsContact C-N 3.34Å; M128-L131 HydrophobicContact CE-CD2 4.5Å; M128-L131 WeakPolarHBondContact O-CB 3.46Å; M128-L131 PolarHBondContact O-N 3.49Å; M128-L131 HydrophobicContact SD-CD1 4.5Å; M128-V132 HydrophobicContact CE-CG2 3.62Å; M128-V132 VanDerWaalsContact O-CG2 3.29Å; M128-V132 WeakPolarHBondContact O-CG2 3.28Å; M128-V132 PolarHBondContact O-N 2.88Å; M128-V147 HydrophobicContact CB-CG2 4.14Å; M128-V147 HydrophobicContact SD-CG2 4.24Å; M128-T251 HydrophobicContact CB-CG2 4.42Å; M128-T251 WeakPolarHBondContact CE-O 3.43Å; M128-T251 HydrophobicContact CG-CG2 3.84Å; M128-A255 HydrophobicContact CE-CB 4.46Å
129L95.3Very high95.2Very high4 Ų416 Ų162%0.0218%0.077CC..Hα-helixtrans-65.9-37.6176.4-70170.7000111.8L12 L15 I90 L94 L125 I126 L131 V132 T133L12-L129 HydrophobicContact CD2-CB 4.08Å; L15-L129 HydrophobicContact CD1-CD1 3.24Å; I90-L129 HydrophobicContact CB-CD2 4.26Å; I90-L129 HydrophobicContact CG1-CD2 3.89Å; I90-L129 HydrophobicContact CG2-CD2 4Å; L94-L129 HydrophobicContact CD2-CD1 4.26Å; L125-L129 HydrophobicContact CD1-CD1 4.12Å; L125-L129 HydrophobicContact CD1-CG 4.24Å; L125-L129 HydrophobicContact CG-CD1 4.07Å; L125-L129 WeakPolarHBondContact O-CG 3.45Å; L125-L129 PolarHBondContact O-N 3.24Å; I126-L129 PolarHBondContact O-N 3.03Å; L129-L131 VanDerWaalsContact C-N 3.34Å; L129-V132 PolarHBondContact O-N 3.39Å; L129-T133 WeakPolarHBondContact O-CB 3.13Å; L129-T133 WeakPolarHBondContact O-CG2 3.43Å; L129-T133 PolarHBondContact O-N 3.13Å; L129-T133 PolarHBondContact O-OG1 3.11Å
130I95.6Very high95.3Very high47 Ų4713.5 Ų13.524%0.2417%0.067CC..Hα-helixtrans-60-45.4172-68.8166.8000110.3I126 T127 M128 V132 A134 Q139I126-I130 HydrophobicContact CG2-CD1 3.82Å; I126-I130 HydrophobicContact CG2-CG1 4.38Å; I126-I130 VanDerWaalsContact O-CG1 3.3Å; I126-I130 WeakPolarHBondContact O-CG1 3.39Å; I126-I130 PolarHBondContact O-N 3.48Å; T127-I130 PolarHBondContact O-N 3.11Å; M128-I130 VanDerWaalsContact C-N 3.34Å; I130-V132 PolarHBondContact O-N 3.4Å; I130-A134 VanDerWaalsContact O-CB 3.3Å; I130-A134 WeakPolarHBondContact O-CB 3.18Å; I130-A134 PolarHBondContact O-N 2.9Å; I130-Q139 HydrophobicContact CG2-CG 3.9Å
131L96Very high95.3Very high1 Ų113.4 Ų13.41%0.0057%0.067CC..Hα-helixtrans-59.1-46.6178.3-172.5158.8000111.8T127 M128 L129 L140 W144 A255 F258T127-L131 PolarHBondContact O-N 3.21Å; M128-L131 HydrophobicContact CE-CD2 4.5Å; M128-L131 WeakPolarHBondContact O-CB 3.46Å; M128-L131 PolarHBondContact O-N 3.49Å; M128-L131 HydrophobicContact SD-CD1 4.5Å; L129-L131 VanDerWaalsContact C-N 3.34Å; L131-L140 HydrophobicContact CG-CD2 4.19Å; L131-L140 HydrophobicContact CG-CG 4.47Å; L131-W144 HydrophobicContact CD1-CB 4.28Å; L131-W144 HydrophobicContact CD1-CE3 4.21Å; L131-A255 HydrophobicContact CD1-CB 3.77Å; L131-A255 HydrophobicContact CD2-CB 4.23Å; L131-F258 HydrophobicContact CD2-CD1 3.9Å; L131-F258 HydrophobicContact CD2-CE1 4.28Å
132V95.8Very high95.4Very high0 Ų017.5 Ų17.50%09%0.088CC..Hα-helixtrans-71.2-35.7-174.5170.30000112.4F89 M128 L129 I130 F258 R262F89-V132 HydrophobicContact CB-CG1 4.1Å; F89-V132 HydrophobicContact CD1-CB 4.14Å; F89-V132 HydrophobicContact CD1-CG1 3.71Å; F89-V132 HydrophobicContact CD1-CG2 3.49Å; F89-V132 VanDerWaalsContact CD1-CG2 3.49Å; F89-V132 HydrophobicContact CE1-CG2 3.46Å; F89-V132 VanDerWaalsContact CE1-CG2 3.46Å; F89-V132 HydrophobicContact CG-CG1 4.21Å; F89-V132 HydrophobicContact CG-CG2 4.37Å; F89-V132 HydrophobicContact CZ-CG2 4.31Å; M128-V132 HydrophobicContact CE-CG2 3.62Å; M128-V132 VanDerWaalsContact O-CG2 3.29Å; M128-V132 WeakPolarHBondContact O-CG2 3.28Å; M128-V132 PolarHBondContact O-N 2.88Å; L129-V132 PolarHBondContact O-N 3.39Å; I130-V132 PolarHBondContact O-N 3.4Å; V132-F258 HydrophobicContact CB-CE1 4.31Å; V132-F258 HydrophobicContact CB-CZ 4.05Å; V132-F258 HydrophobicContact CG1-CE1 4.41Å; V132-F258 HydrophobicContact CG1-CE2 4.12Å; V132-F258 HydrophobicContact CG1-CZ 3.67Å; V132-F258 HydrophobicContact CG2-CE1 4.29Å; V132-F258 HydrophobicContact CG2-CZ 4.19Å; V132-R262 PolarHBondContact O-NH2 3.13Å
133T95.1Very high95.5Very high0 Ų017.5 Ų17.50%09%0.088CC..Hα-helixtrans-91.4-7.7-178560000113.1L12 F80 K81 I90 L129 N135L12-T133 HydrophobicContact CD2-CG2 4.45Å; F80-T133 CarbonylContact C-O 3.21Å; F80-T133 VanDerWaalsContact CA-O 3.22Å; F80-T133 WeakPolarHBondContact CA-O 3.08Å; F80-T133 WeakPolarHBondContact CD1-OG1 3.27Å; K81-T133 PolarHBondContact N-O 3.32Å; I90-T133 HydrophobicContact CD1-CG2 3.63Å; I90-T133 HydrophobicContact CG1-CG2 4.33Å; L129-T133 WeakPolarHBondContact O-CB 3.13Å; L129-T133 WeakPolarHBondContact O-CG2 3.43Å; L129-T133 PolarHBondContact O-N 3.13Å; L129-T133 PolarHBondContact O-OG1 3.11Å; T133-N135 PolarHBondContact O-N 2.96Å
134A95.1Very high95.5Very high6 Ų615.7 Ų15.75%0.058%0.078CC..BIsolated β-bridgetrans-60126.9-179.300000111.4I130 Q139 L140I130-A134 VanDerWaalsContact O-CB 3.3Å; I130-A134 WeakPolarHBondContact O-CB 3.18Å; I130-A134 PolarHBondContact O-N 2.9Å; A134-Q139 HydrophobicContact CB-CB 3.97Å; A134-Q139 HydrophobicContact CB-CG 3.8Å; A134-L140 HydrophobicContact CB-CB 3.81Å; A134-L140 HydrophobicContact CB-CG 4.43Å
135N93.6Very high95.5Very high10 Ų1016.7 Ų16.75%0.0538%0.083CC..  trans-83.5-50.7163.8-169.351.1000110.4S79 K81 T133 P198 Q199S79-N135 WeakPolarHBondContact O-CB 3.44Å; S79-N135 PolarHBondContact O-N 2.98Å; S79-N135 WeakPolarHBondContact OG-CB 3.26Å; K81-N135 HydrophobicContact CB-CB 3.9Å; T133-N135 PolarHBondContact O-N 2.96Å; N135-P198 WeakPolarHBondContact O-CD 3.33Å; N135-P198 WeakPolarHBondContact O-CG 3.1Å; N135-Q199 PolarHBondContact ND2-OE1 3.38Å; N135-Q199 PolarHBondContact OD1-NE2 3.08Å; N135-Q199 PolarHBondContact OD1-OE1 2.98Å; N135-Q199 VanDerWaalsContact OD1-OE1 3.1Å
136N93.6Very high95.6Very high4 Ų417.4 Ų17.42%0.0219%0.09CC..SBendtrans-79.4137.5-174.2-60.84.3000110.7S77 S79 F138 Q139 L140 D197S77-N136 PolarHBondContact O-ND2 3.06Å; S79-N136 PolarHBondContact OG-ND2 3.11Å; S79-N136 VanDerWaalsContact OG-ND2 3.12Å; S79-N136 PolarHBondContact OG-OD1 3.45Å; N136-F138 PolarHBondContact O-N 3.43Å; N136-F138 VanDerWaalsContact O-N 3.15Å; N136-Q139 HydrophobicContact CB-CB 4.46Å; N136-Q139 PolarHBondContact O-N 3.38Å; N136-L140 PolarHBondContact O-N 3.25Å; N136-D197 PolarHBondContact OD1-OD1 3.13Å
137L93.3Very high95.6Very high1 Ų116 Ų161%0.0058%0.083CC..Hα-helixtrans-55.4-33.6177-85170.8000113.4L140 F141 F182 L186 F189 W196 M201 F263L137-L140 WeakPolarHBondContact O-CB 3.41Å; L137-L140 PolarHBondContact O-N 2.89Å; L137-F141 PolarHBondContact O-N 3.41Å; L137-F182 HydrophobicContact CD2-CE1 4.37Å; L137-F182 HydrophobicContact CD2-CZ 3.95Å; L137-L186 HydrophobicContact CB-CD2 3.53Å; L137-L186 HydrophobicContact CD1-CD2 4.27Å; L137-L186 HydrophobicContact CG-CD2 4.46Å; L137-F189 HydrophobicContact CD1-CD2 3.51Å; L137-F189 HydrophobicContact CD1-CE2 4.04Å; L137-F189 HydrophobicContact CD1-CG 4.32Å; L137-W196 HydrophobicContact CB-CB 4.13Å; L137-W196 PolarHBondContact N-O 3.16Å; L137-M201 HydrophobicContact CD1-CE 3.7Å; L137-M201 HydrophobicContact CD1-SD 3.8Å; L137-M201 HydrophobicContact CG-CE 4.31Å; L137-F263 HydrophobicContact CD1-CZ 4.37Å; L137-F263 HydrophobicContact CD2-CE1 4.33Å; L137-F263 HydrophobicContact CD2-CE2 3.62Å; L137-F263 HydrophobicContact CD2-CZ 3.26Å; L137-F263 HydrophobicContact CG-CZ 3.87Å
138F94.4Very high95.5Very high60 Ų6015.3 Ų15.326%0.2638%0.08SC..Hα-helixtrans-66.2-42.6176-177.8-96.1000112.5W68 N136 L140 F141 I142 W196W68-F138 HydrophobicContact CE3-CD1 4.44Å; W68-F138 HydrophobicContact CE3-CE1 4.11Å; W68-F138 HydrophobicContact CH2-CD1 4.39Å; W68-F138 AromaticContact CH2-CE1 3.36Å; W68-F138 HydrophobicContact CH2-CE1 3.36Å; W68-F138 AromaticContact CH2-CZ 3.63Å; W68-F138 HydrophobicContact CH2-CZ 3.63Å; W68-F138 AromaticContact CZ3-CD1 3.67Å; W68-F138 HydrophobicContact CZ3-CD1 3.67Å; W68-F138 AromaticContact CZ3-CE1 3.06Å; W68-F138 HydrophobicContact CZ3-CE1 3.06Å; W68-F138 AromaticContact CZ3-CZ 3.67Å; W68-F138 HydrophobicContact CZ3-CZ 3.67Å; N136-F138 PolarHBondContact O-N 3.43Å; N136-F138 VanDerWaalsContact O-N 3.15Å; F138-L140 VanDerWaalsContact C-N 3.31Å; F138-L140 PolarHBondContact O-N 2.86Å; F138-F141 WeakPolarHBondContact O-CB 3.45Å; F138-F141 PolarHBondContact O-N 2.77Å; F138-I142 HydrophobicContact CD1-CD1 3.83Å; F138-I142 HydrophobicContact CD1-CG1 4.46Å; F138-I142 HydrophobicContact CE1-CD1 3.4Å; F138-I142 HydrophobicContact CE1-CG1 4.04Å; F138-I142 HydrophobicContact CZ-CD1 4.18Å; F138-I142 HydrophobicContact CZ-CG1 4.42Å; F138-I142 PolarHBondContact O-N 3.32Å; F138-W196 HydrophobicContact CB-CD2 4.49Å; F138-W196 HydrophobicContact CB-CE3 3.65Å; F138-W196 HydrophobicContact CB-CZ3 3.82Å; F138-W196 HydrophobicContact CD2-CZ3 4.14Å; F138-W196 HydrophobicContact CG-CE3 4.44Å; F138-W196 HydrophobicContact CG-CZ3 4.11Å
139Q95.9Very high95.5Very high12 Ų1219.1 Ų19.16%0.05610%0.099CC..Hα-helixtrans-65.8-37.6174.7-177.7178.1-22.200111.2S79 I130 A134 N136 F141 I142 G143S79-Q139 PolarHBondContact O-OE1 3.35Å; S79-Q139 VanDerWaalsContact O-OE1 3.08Å; I130-Q139 HydrophobicContact CG2-CG 3.9Å; A134-Q139 HydrophobicContact CB-CB 3.97Å; A134-Q139 HydrophobicContact CB-CG 3.8Å; N136-Q139 HydrophobicContact CB-CB 4.46Å; N136-Q139 PolarHBondContact O-N 3.38Å; Q139-F141 VanDerWaalsContact C-N 3.31Å; Q139-F141 PolarHBondContact O-N 2.88Å; Q139-I142 WeakPolarHBondContact O-CB 3.34Å; Q139-I142 PolarHBondContact O-N 2.89Å; Q139-G143 PolarHBondContact O-N 3.22Å; Q139-G143 VanDerWaalsContact O-N 3.11Å
140L96.2Very high95.6Very high9 Ų920.3 Ų20.35%0.04711%0.105CC..Hα-helixtrans-60.9-43.3173-162.6170.6000110.2L131 A134 N136 L137 F138 I142 G143 W144 F182L131-L140 HydrophobicContact CG-CD2 4.19Å; L131-L140 HydrophobicContact CG-CG 4.47Å; A134-L140 HydrophobicContact CB-CB 3.81Å; A134-L140 HydrophobicContact CB-CG 4.43Å; N136-L140 PolarHBondContact O-N 3.25Å; L137-L140 WeakPolarHBondContact O-CB 3.41Å; L137-L140 PolarHBondContact O-N 2.89Å; F138-L140 VanDerWaalsContact C-N 3.31Å; F138-L140 PolarHBondContact O-N 2.86Å; L140-I142 PolarHBondContact O-N 2.81Å; L140-G143 PolarHBondContact O-N 2.98Å; L140-W144 HydrophobicContact CD2-CB 4.46Å; L140-W144 HydrophobicContact CD2-CE3 4.26Å; L140-W144 VanDerWaalsContact O-CB 3.28Å; L140-W144 WeakPolarHBondContact O-CB 3.41Å; L140-W144 PolarHBondContact O-N 3.28Å; L140-F182 HydrophobicContact CB-CZ 4.43Å; L140-F182 HydrophobicContact CD2-CE2 3.57Å; L140-F182 HydrophobicContact CD2-CZ 3.76Å
141F96.8Very high95.5Very high40 Ų4018.1 Ų18.118%0.1759%0.094CC..Hα-helixtrans-62.2-38.8175.7-170.7-108.1000113.1L137 F138 Q139 G143 W144 E145 D179 F182 I183 L186L137-F141 PolarHBondContact O-N 3.41Å; F138-F141 WeakPolarHBondContact O-CB 3.45Å; F138-F141 PolarHBondContact O-N 2.77Å; Q139-F141 VanDerWaalsContact C-N 3.31Å; Q139-F141 PolarHBondContact O-N 2.88Å; F141-G143 PolarHBondContact O-N 2.62Å; F141-W144 WeakPolarHBondContact O-CB 3.5Å; F141-W144 PolarHBondContact O-N 2.87Å; F141-E145 HydrophobicContact CD1-CG 4.34Å; F141-E145 HydrophobicContact CD2-CG 4.45Å; F141-E145 HydrophobicContact CE1-CG 3.84Å; F141-E145 HydrophobicContact CE2-CG 3.96Å; F141-E145 HydrophobicContact CZ-CG 3.62Å; F141-E145 WeakPolarHBondContact CZ-OE1 3.34Å; F141-E145 PolarHBondContact O-N 3.09Å; F141-D179 HydrophobicContact CE2-CB 4.49Å; F141-F182 HydrophobicContact CB-CD1 4.33Å; F141-F182 HydrophobicContact CB-CE1 3.73Å; F141-F182 HydrophobicContact CB-CZ 4.17Å; F141-F182 AromaticContact CD2-CD1 3.47Å; F141-F182 HydrophobicContact CD2-CD1 3.47Å; F141-F182 VanDerWaalsContact CD2-CD1 3.47Å; F141-F182 AromaticContact CD2-CE1 3.77Å; F141-F182 HydrophobicContact CD2-CE1 3.77Å; F141-F182 AromaticContact CD2-CG 4Å; F141-F182 HydrophobicContact CD2-CG 4Å; F141-F182 HydrophobicContact CD2-CZ 4.47Å; F141-F182 HydrophobicContact CE2-CD1 4.2Å; F141-F182 HydrophobicContact CG-CD1 4.25Å; F141-F182 HydrophobicContact CG-CE1 4.15Å; F141-I183 HydrophobicContact CE2-CG1 4.14Å; F141-I183 HydrophobicContact CZ-CD1 4.18Å; F141-I183 HydrophobicContact CZ-CG1 4.17Å; F141-L186 HydrophobicContact CB-CD1 4.43Å; F141-L186 HydrophobicContact CD2-CD1 4.5Å; F141-L186 HydrophobicContact CG-CD1 4.35Å
142I96.9Very high95.5Very high86 Ų8621.2 Ų21.244%0.44111%0.107SC..Hα-helixtrans-58.4-48.2172.6-68.8164.6000110.6F138 Q139 L140 W144 G146F138-I142 HydrophobicContact CD1-CD1 3.83Å; F138-I142 HydrophobicContact CD1-CG1 4.46Å; F138-I142 HydrophobicContact CE1-CD1 3.4Å; F138-I142 HydrophobicContact CE1-CG1 4.04Å; F138-I142 HydrophobicContact CZ-CD1 4.18Å; F138-I142 HydrophobicContact CZ-CG1 4.42Å; F138-I142 PolarHBondContact O-N 3.32Å; Q139-I142 WeakPolarHBondContact O-CB 3.34Å; Q139-I142 PolarHBondContact O-N 2.89Å; L140-I142 PolarHBondContact O-N 2.81Å; I142-W144 VanDerWaalsContact C-N 3.34Å; I142-G146 PolarHBondContact O-N 2.89Å
143G96.6Very high95.5Very high0 Ų023.8 Ų23.80%012%0.121CC..Hα-helixtrans-62.4-41.8176.200000112.2T127 Q139 L140 F141 G146 V147T127-G143 WeakPolarHBondContact O-CA 3.39Å; Q139-G143 PolarHBondContact O-N 3.22Å; Q139-G143 VanDerWaalsContact O-N 3.11Å; L140-G143 PolarHBondContact O-N 2.98Å; F141-G143 PolarHBondContact O-N 2.62Å; G143-G146 PolarHBondContact O-N 2.83Å; G143-V147 WeakPolarHBondContact O-CB 3.34Å; G143-V147 VanDerWaalsContact O-CG2 3.27Å; G143-V147 WeakPolarHBondContact O-CG2 3.12Å; G143-V147 PolarHBondContact O-N 2.95Å
144W96.3Very high95.6Very high1 Ų124 Ų240%0.00412%0.121CC..Hα-helixtrans-60.2-46.5-178.7-176.4-89.5000113.3L131 L140 F141 I142 G148 D179 F182 A219 K223 A255 L259L131-W144 HydrophobicContact CD1-CB 4.28Å; L131-W144 HydrophobicContact CD1-CE3 4.21Å; L140-W144 HydrophobicContact CD2-CB 4.46Å; L140-W144 HydrophobicContact CD2-CE3 4.26Å; L140-W144 VanDerWaalsContact O-CB 3.28Å; L140-W144 WeakPolarHBondContact O-CB 3.41Å; L140-W144 PolarHBondContact O-N 3.28Å; F141-W144 WeakPolarHBondContact O-CB 3.5Å; F141-W144 PolarHBondContact O-N 2.87Å; I142-W144 VanDerWaalsContact C-N 3.34Å; W144-G148 PolarHBondContact O-N 3.45Å; W144-D179 PolarHBondContact NE1-OD1 3Å; W144-F182 HydrophobicContact CD2-CD2 4.26Å; W144-F182 HydrophobicContact CD2-CE2 4.48Å; W144-F182 HydrophobicContact CZ2-CD2 4.47Å; W144-A219 HydrophobicContact CH2-CB 4.13Å; W144-A219 WeakPolarHBondContact CH2-O 3.36Å; W144-A219 HydrophobicContact CZ2-CB 3.85Å; W144-A219 VanDerWaalsContact CZ2-O 3.32Å; W144-A219 WeakPolarHBondContact CZ2-O 3.2Å; W144-K223 HydrophobicContact CD2-CG 4.06Å; W144-K223 VanDerWaalsContact CE2-CG 3.41Å; W144-K223 HydrophobicContact CE3-CG 4.3Å; W144-K223 HydrophobicContact CH2-CB 3.74Å; W144-K223 HydrophobicContact CH2-CG 3.39Å; W144-K223 HydrophobicContact CZ2-CB 3.89Å; W144-K223 HydrophobicContact CZ2-CD 4.22Å; W144-K223 HydrophobicContact CZ2-CG 3.08Å; W144-K223 HydrophobicContact CZ3-CB 4.35Å; W144-K223 HydrophobicContact CZ3-CG 4Å; W144-K223 VanDerWaalsContact NE1-CE 3.26Å; W144-K223 PolarHBondContact O-NZ 2.88Å; W144-A255 HydrophobicContact CE3-CB 4.45Å; W144-A255 HydrophobicContact CZ3-CB 4.34Å; W144-L259 HydrophobicContact CE3-CD1 4.13Å; W144-L259 HydrophobicContact CH2-CD1 3.78Å; W144-L259 HydrophobicContact CZ3-CB 4.1Å; W144-L259 HydrophobicContact CZ3-CD1 3.54Å; W144-L259 HydrophobicContact CZ3-CG 4.5Å
145E96.8Very high95.6Very high22 Ų2223.8 Ų23.810%0.10312%0.12CC..Hα-helixtrans-74.1-40.1175.5-74.9-73.1-16200112.2F141 V147 G148 I149 R176F141-E145 HydrophobicContact CD1-CG 4.34Å; F141-E145 HydrophobicContact CD2-CG 4.45Å; F141-E145 HydrophobicContact CE1-CG 3.84Å; F141-E145 HydrophobicContact CE2-CG 3.96Å; F141-E145 HydrophobicContact CZ-CG 3.62Å; F141-E145 WeakPolarHBondContact CZ-OE1 3.34Å; F141-E145 PolarHBondContact O-N 3.09Å; E145-V147 VanDerWaalsContact C-N 3.32Å; E145-V147 PolarHBondContact O-N 3.12Å; E145-G148 CarbonylContact O-C 3.57Å; E145-G148 WeakPolarHBondContact O-CA 3.43Å; E145-G148 PolarHBondContact O-N 2.83Å; E145-I149 WeakPolarHBondContact O-CG1 3.35Å; E145-I149 PolarHBondContact O-N 3.47Å; E145-R176 VanDerWaalsContact CD-CZ 3.47Å; E145-R176 IonicContact OE1-CZ 3.89Å; E145-R176 IonicContact OE1-NE 2.74Å; E145-R176 IonicContact OE1-NH1 3.97Å; E145-R176 PolarHBondContact OE1-NH1 2.92Å; E145-R176 IonicContact OE1-NH2 2.92Å; E145-R176 PolarHBondContact OE1-NH2 3.35Å; E145-R176 IonicContact OE2-CZ 3.89Å; E145-R176 IonicContact OE2-NE 3.65Å; E145-R176 IonicContact OE2-NH1 3.89Å; E145-R176 IonicContact OE2-NH2 3.61Å; E145-R176 PolarHBondContact OE2-NH2 3.12Å
146G96.4Very high95.8Very high14 Ų1424.2 Ų24.214%0.14412%0.124CC..Hα-helixtrans-57.6-44.7176.500000112.2I142 G143 G148 M150I142-G146 PolarHBondContact O-N 2.89Å; G143-G146 PolarHBondContact O-N 2.83Å; G146-G148 VanDerWaalsContact C-N 3.32Å; G146-G148 PolarHBondContact O-N 2.95Å; G146-M150 WeakPolarHBondContact O-CB 3.43Å; G146-M150 VanDerWaalsContact O-CG 3.25Å; G146-M150 WeakPolarHBondContact O-CG 3.12Å; G146-M150 PolarHBondContact O-N 2.64Å
147V95.9Very high95.9Very high1 Ų125.2 Ų25.21%0.00613%0.127CC..Hα-helixtrans-62.1-39.8172.3168.20000111.1F124 T127 M128 G143 E145 S151 M252F124-V147 HydrophobicContact CE2-CB 4.28Å; F124-V147 HydrophobicContact CE2-CG1 3.63Å; F124-V147 HydrophobicContact CE2-CG2 4.48Å; F124-V147 HydrophobicContact CZ-CG1 3.85Å; T127-V147 WeakPolarHBondContact OG1-CG2 3.37Å; M128-V147 HydrophobicContact CB-CG2 4.14Å; M128-V147 HydrophobicContact SD-CG2 4.24Å; G143-V147 WeakPolarHBondContact O-CB 3.34Å; G143-V147 VanDerWaalsContact O-CG2 3.27Å; G143-V147 WeakPolarHBondContact O-CG2 3.12Å; G143-V147 PolarHBondContact O-N 2.95Å; E145-V147 VanDerWaalsContact C-N 3.32Å; E145-V147 PolarHBondContact O-N 3.12Å; V147-S151 WeakPolarHBondContact O-CB 2.98Å; V147-S151 PolarHBondContact O-N 3.23Å; V147-M252 HydrophobicContact CG1-CB 3.77Å; V147-M252 HydrophobicContact CG1-CG 3.79Å
148G95.1Very high96Very high3 Ų329 Ų293%0.03114%0.142CC..Hα-helixtrans-61.1-52.4176.500000113.2W144 E145 G146 M150 S151 F152 I172W144-G148 PolarHBondContact O-N 3.45Å; E145-G148 CarbonylContact O-C 3.57Å; E145-G148 WeakPolarHBondContact O-CA 3.43Å; E145-G148 PolarHBondContact O-N 2.83Å; G146-G148 VanDerWaalsContact C-N 3.32Å; G146-G148 PolarHBondContact O-N 2.95Å; G148-M150 PolarHBondContact O-N 2.96Å; G148-S151 WeakPolarHBondContact O-CB 3.38Å; G148-S151 PolarHBondContact O-N 3.03Å; G148-S151 PolarHBondContact O-OG 3.35Å; G148-F152 PolarHBondContact O-N 2.76Å; G148-F152 VanDerWaalsContact O-N 3.14Å; G148-I172 WeakPolarHBondContact O-CD1 3.38Å
149I95.8Very high95.9Very high81 Ų8134.5 Ų34.542%0.41516%0.162SC..Hα-helixtrans-66.6-40.5-178.6-63.5166.5000111.1E145 S151 F152 L153E145-I149 WeakPolarHBondContact O-CG1 3.35Å; E145-I149 PolarHBondContact O-N 3.47Å; I149-S151 VanDerWaalsContact C-N 3.28Å; I149-S151 PolarHBondContact O-N 3.13Å; I149-F152 VanDerWaalsContact O-CB 3.3Å; I149-F152 WeakPolarHBondContact O-CB 3.49Å; I149-F152 PolarHBondContact O-N 3.1Å; I149-L153 PolarHBondContact O-N 3.17Å
150M95.8Very high95.9Very high29 Ų2938.4 Ų38.414%0.14320%0.196CC..Hα-helixtrans-65.8-34.2176.3-68-58.9130.600111.7I123 F124 G146 G148 F152 L153 L154I123-M150 HydrophobicContact CB-CG 4.48Å; I123-M150 HydrophobicContact CB-SD 3.96Å; I123-M150 HydrophobicContact CG2-CE 3.72Å; I123-M150 HydrophobicContact CG2-CG 3.87Å; I123-M150 HydrophobicContact CG2-SD 3.55Å; I123-M150 VanDerWaalsContact CG2-SD 3.55Å; F124-M150 HydrophobicContact CB-CB 3.94Å; F124-M150 HydrophobicContact CB-CG 4.35Å; F124-M150 HydrophobicContact CD2-CB 3.69Å; F124-M150 HydrophobicContact CG-CB 4.3Å; G146-M150 WeakPolarHBondContact O-CB 3.43Å; G146-M150 VanDerWaalsContact O-CG 3.25Å; G146-M150 WeakPolarHBondContact O-CG 3.12Å; G146-M150 PolarHBondContact O-N 2.64Å; G148-M150 PolarHBondContact O-N 2.96Å; M150-F152 VanDerWaalsContact C-N 3.34Å; M150-F152 PolarHBondContact O-N 3.47Å; M150-L153 HydrophobicContact CE-CD1 4.18Å; M150-L153 PolarHBondContact O-N 3.03Å; M150-L153 HydrophobicContact SD-CD1 4.23Å; M150-L154 WeakPolarHBondContact O-CB 3.38Å; M150-L154 VanDerWaalsContact O-CG 3.27Å; M150-L154 WeakPolarHBondContact O-CG 3.47Å; M150-L154 PolarHBondContact O-N 3.21Å
151S94.4Very high95.8Very high0 Ų044.4 Ų44.40%022%0.218CC..Hα-helixtrans-62.8-38.9173.178.10000112.5V147 G148 I149 L154 I155 M252V147-S151 WeakPolarHBondContact O-CB 2.98Å; V147-S151 PolarHBondContact O-N 3.23Å; G148-S151 WeakPolarHBondContact O-CB 3.38Å; G148-S151 PolarHBondContact O-N 3.03Å; G148-S151 PolarHBondContact O-OG 3.35Å; I149-S151 VanDerWaalsContact C-N 3.28Å; I149-S151 PolarHBondContact O-N 3.13Å; S151-L154 PolarHBondContact O-N 3.35Å; S151-I155 WeakPolarHBondContact O-CB 3.4Å; S151-I155 WeakPolarHBondContact O-CD1 3.49Å; S151-I155 WeakPolarHBondContact O-CG1 3.39Å; S151-I155 PolarHBondContact O-N 3.28Å; S151-M252 WeakPolarHBondContact CB-SD 3.39Å; S151-M252 VanDerWaalsContact OG-CE 3.26Å; S151-M252 WeakPolarHBondContact OG-CE 3.43Å
152F95.6Very high95.8Very high67 Ų6745.7 Ų45.729%0.29424%0.236SC..Hα-helixtrans-56.8-53.1174.2177.2-103.8000111.8G148 I149 M150 L154 I155 S156 A168 I169 I172G148-F152 PolarHBondContact O-N 2.76Å; G148-F152 VanDerWaalsContact O-N 3.14Å; I149-F152 VanDerWaalsContact O-CB 3.3Å; I149-F152 WeakPolarHBondContact O-CB 3.49Å; I149-F152 PolarHBondContact O-N 3.1Å; M150-F152 VanDerWaalsContact C-N 3.34Å; M150-F152 PolarHBondContact O-N 3.47Å; F152-L154 VanDerWaalsContact C-N 3.3Å; F152-L154 PolarHBondContact O-N 2.69Å; F152-I155 PolarHBondContact O-N 3.26Å; F152-S156 WeakPolarHBondContact O-CB 2.96Å; F152-S156 PolarHBondContact O-N 2.92Å; F152-A168 HydrophobicContact CD2-CB 3.59Å; F152-A168 HydrophobicContact CE2-CB 3.78Å; F152-A168 HydrophobicContact CG-CB 4.4Å; F152-I169 HydrophobicContact CE2-CG1 4.06Å; F152-I172 HydrophobicContact CB-CD1 3.55Å; F152-I172 HydrophobicContact CB-CG1 4.26Å; F152-I172 HydrophobicContact CD2-CD1 4.19Å; F152-I172 HydrophobicContact CD2-CG1 4.26Å; F152-I172 HydrophobicContact CG-CD1 4.26Å
153L96.6Very high95.7Very high54 Ų5446.7 Ų46.728%0.28324%0.242SC..Hα-helixtrans-64.4-35.2-177.4-65.8173.2000112.2Y120 I149 M150 S156 W157Y120-L153 HydrophobicContact CD2-CB 4.38Å; Y120-L153 HydrophobicContact CE2-CB 4.29Å; I149-L153 PolarHBondContact O-N 3.17Å; M150-L153 HydrophobicContact CE-CD1 4.18Å; M150-L153 PolarHBondContact O-N 3.03Å; M150-L153 HydrophobicContact SD-CD1 4.23Å; L153-S156 CarbonylContact O-C 3.29Å; L153-W157 PolarHBondContact O-N 3.12Å
154L96.3Very high95.6Very high3 Ų346.8 Ų46.82%0.01624%0.243CC..Hα-helixtrans-80.1-32.6-179.5-71173.8000113.1F117 Y120 F124 M150 S151 F152 V243F117-L154 HydrophobicContact CD2-CD2 4.4Å; F117-L154 HydrophobicContact CE2-CD2 4.27Å; Y120-L154 HydrophobicContact CD2-CD2 4.37Å; F124-L154 HydrophobicContact CB-CD1 4.3Å; F124-L154 HydrophobicContact CD2-CD1 4.38Å; F124-L154 HydrophobicContact CG-CD1 4.42Å; M150-L154 WeakPolarHBondContact O-CB 3.38Å; M150-L154 VanDerWaalsContact O-CG 3.27Å; M150-L154 WeakPolarHBondContact O-CG 3.47Å; M150-L154 PolarHBondContact O-N 3.21Å; S151-L154 PolarHBondContact O-N 3.35Å; F152-L154 VanDerWaalsContact C-N 3.3Å; F152-L154 PolarHBondContact O-N 2.69Å; L154-V243 HydrophobicContact CB-CB 4.4Å; L154-V243 HydrophobicContact CB-CG1 3.6Å; L154-V243 HydrophobicContact CB-CG2 3.85Å; L154-V243 HydrophobicContact CD1-CG1 4.44Å; L154-V243 HydrophobicContact CD1-CG2 4.38Å; L154-V243 HydrophobicContact CD2-CG2 3.89Å; L154-V243 HydrophobicContact CG-CG2 4.26Å
155I96.3Very high95.6Very high2 Ų249.1 Ų49.11%0.0126%0.255CS..Hα-helixtrans-70.5-45.1172.6-65.8164000109.7S151 F152 W157 A167 A168 A171 A236 L247S151-I155 WeakPolarHBondContact O-CB 3.4Å; S151-I155 WeakPolarHBondContact O-CD1 3.49Å; S151-I155 WeakPolarHBondContact O-CG1 3.39Å; S151-I155 PolarHBondContact O-N 3.28Å; F152-I155 PolarHBondContact O-N 3.26Å; I155-W157 PolarHBondContact O-N 3.27Å; I155-W157 VanDerWaalsContact O-N 3.12Å; I155-A167 HydrophobicContact CG2-CB 4.08Å; I155-A168 HydrophobicContact CB-CB 4.12Å; I155-A168 HydrophobicContact CG2-CB 3.97Å; I155-A171 HydrophobicContact CD1-CB 4.03Å; I155-A236 HydrophobicContact CD1-CB 3.74Å; I155-A236 HydrophobicContact CG1-CB 4.19Å; I155-L247 HydrophobicContact CG1-CD1 4.29Å
156S96.2Very high95.6Very high20 Ų2052.1 Ų52.114%0.1428%0.275CS..THydrogen-bonded Turntrans-82.833.2175.9-175.80000112.6F152 L153 W158 Y159 N165F152-S156 WeakPolarHBondContact O-CB 2.96Å; F152-S156 PolarHBondContact O-N 2.92Å; L153-S156 CarbonylContact O-C 3.29Å; S156-W158 PolarHBondContact O-N 3.27Å; S156-Y159 PolarHBondContact O-N 3.19Å; S156-N165 PolarHBondContact OG-OD1 3.44Å
157W96.3Very high95.5Very high24 Ų2451.5 Ų51.59%0.09127%0.269CS..THydrogen-bonded Turntrans-61.1-47.5179.5-179.5-105.2000111.6D111 N113 Q116 F117 Y120 L153 I155 Y159 P240D111-W157 PolarHBondContact OD2-NE1 2.93Å; N113-W157 HydrophobicContact CB-CH2 4.12Å; N113-W157 HydrophobicContact CB-CZ2 3.95Å; Q116-W157 HydrophobicContact CB-CH2 4.05Å; Q116-W157 HydrophobicContact CG-CH2 4.1Å; Q116-W157 HydrophobicContact CG-CZ3 4.14Å; F117-W157 HydrophobicContact CB-CH2 3.67Å; F117-W157 HydrophobicContact CB-CZ2 3.82Å; F117-W157 HydrophobicContact CB-CZ3 4.16Å; F117-W157 HydrophobicContact CD2-CD2 4.03Å; F117-W157 HydrophobicContact CD2-CE3 4.16Å; F117-W157 HydrophobicContact CD2-CH2 4.45Å; F117-W157 HydrophobicContact CD2-CZ2 4.32Å; F117-W157 HydrophobicContact CD2-CZ3 4.37Å; Y120-W157 HydrophobicContact CD2-CE3 4.21Å; Y120-W157 AromaticContact CD2-CZ3 3.76Å; Y120-W157 HydrophobicContact CD2-CZ3 3.76Å; Y120-W157 HydrophobicContact CE2-CE3 4.4Å; Y120-W157 AromaticContact CE2-CZ3 3.88Å; Y120-W157 HydrophobicContact CE2-CZ3 3.88Å; L153-W157 PolarHBondContact O-N 3.12Å; I155-W157 PolarHBondContact O-N 3.27Å; I155-W157 VanDerWaalsContact O-N 3.12Å; W157-Y159 VanDerWaalsContact C-N 3.3Å; W157-Y159 PolarHBondContact O-N 3.03Å; W157-Y159 VanDerWaalsContact O-N 3.16Å; W157-P240 HydrophobicContact CB-CG 4.35Å
158W94.8Very high95.6Very high82 Ų8251.5 Ų51.531%0.31127%0.269SS..THydrogen-bonded Turntrans-88.670.1171.5-61.1-48.8000110.5S156 A160 R161 P240S156-W158 PolarHBondContact O-N 3.27Å; W158-A160 PolarHBondContact O-N 3.21Å; W158-R161 HydrophobicContact CB-CG 4.4Å; W158-R161 PolarHBondContact O-N 3.4Å; W158-P240 HydrophobicContact CH2-CB 4.13Å; W158-P240 HydrophobicContact CZ2-CB 4.47Å
159Y93.9Very high95.6Very high175 Ų17556.1 Ų56.169%0.68629%0.292SS*.THydrogen-bonded Turntrans-55.4-18.7-175.761.2-93.4000115.1S156 W157 R161 N165S156-Y159 PolarHBondContact O-N 3.19Å; W157-Y159 VanDerWaalsContact C-N 3.3Å; W157-Y159 PolarHBondContact O-N 3.03Å; W157-Y159 VanDerWaalsContact O-N 3.16Å; Y159-R161 VanDerWaalsContact C-N 3.29Å; Y159-N165 PolarHBondContact O-ND2 3.15Å; Y159-N165 PolarHBondContact O-OD1 3.09Å
160A94.4Very high95.6Very high94 Ų9453.8 Ų53.878%0.77728%0.279SS*.THydrogen-bonded Turntrans-72.4-20.7174.600000113.2W158W158-A160 PolarHBondContact O-N 3.21Å
161R94.4Very high95.5Very high135 Ų13552.4 Ų52.451%0.50927%0.273SS..  trans-83.5118.5177.4-66.7-174.1-178.6-1771.7110W158 Y159 D163 A164 N165W158-R161 HydrophobicContact CB-CG 4.4Å; W158-R161 PolarHBondContact O-N 3.4Å; Y159-R161 VanDerWaalsContact C-N 3.29Å; R161-D163 VanDerWaalsContact C-N 3.28Å; R161-D163 PolarHBondContact O-N 3.02Å; R161-A164 HydrophobicContact CB-CB 4.06Å; R161-A164 PolarHBondContact O-N 3.49Å; R161-N165 PolarHBondContact O-N 2.94Å
162A96.2Very high95.6Very high67 Ų6754.5 Ų54.555%0.55428%0.283SS*.Hα-helixtrans-57.4-41.8178.100000112.1A164 N165 T166A162-A164 VanDerWaalsContact C-N 3.32Å; A162-A164 PolarHBondContact O-N 2.76Å; A162-N165 PolarHBondContact O-N 3.38Å; A162-N165 VanDerWaalsContact O-N 3.16Å; A162-T166 WeakPolarHBondContact O-CG2 3.42Å; A162-T166 PolarHBondContact O-N 3.32Å; A162-T166 PolarHBondContact O-OG1 2.99Å
163D94.9Very high95.6Very high107 Ų10756 Ų5657%0.57229%0.293SS*.Hα-helixtrans-64.3-33.8-179.4-60.9-37.1000113.2R161 T166 A167 E238R161-D163 VanDerWaalsContact C-N 3.28Å; R161-D163 PolarHBondContact O-N 3.02Å; D163-T166 WeakPolarHBondContact CA-OG1 3.02Å; D163-T166 PolarHBondContact O-OG1 3.13Å; D163-A167 VanDerWaalsContact O-CB 3.25Å; D163-A167 WeakPolarHBondContact O-CB 3.34Å; D163-A167 PolarHBondContact O-N 3.45Å; D163-E238 HydrophobicContact CB-CG 4.45Å
164A95Very high95.6Very high1 Ų154.2 Ų54.21%0.00828%0.283CS..Hα-helixtrans-68.8-38.5175.400000111.3R161 A162 A168 E238R161-A164 HydrophobicContact CB-CB 4.06Å; R161-A164 PolarHBondContact O-N 3.49Å; A162-A164 VanDerWaalsContact C-N 3.32Å; A162-A164 PolarHBondContact O-N 2.76Å; A164-A168 WeakPolarHBondContact O-CB 3.37Å; A164-A168 PolarHBondContact O-N 2.95Å; A164-E238 HydrophobicContact CB-CB 4.37Å
165N96.2Very high95.5Very high50 Ų5054.2 Ų54.227%0.26728%0.283SS..Hα-helixtrans-70.8-41.8178.4-64-14.8000111.7S156 Y159 R161 A162 A167 A168 I169S156-N165 PolarHBondContact OG-OD1 3.44Å; Y159-N165 PolarHBondContact O-ND2 3.15Å; Y159-N165 PolarHBondContact O-OD1 3.09Å; R161-N165 PolarHBondContact O-N 2.94Å; A162-N165 PolarHBondContact O-N 3.38Å; A162-N165 VanDerWaalsContact O-N 3.16Å; N165-A167 VanDerWaalsContact C-N 3.35Å; N165-A168 PolarHBondContact O-N 3.03Å; N165-I169 WeakPolarHBondContact O-CG1 3.26Å; N165-I169 PolarHBondContact O-N 3.32Å
166T96.3Very high95.6Very high85 Ų8559.4 Ų59.452%0.52130%0.303SS..Hα-helixtrans-63.6-42.7175.357.60000110.7A162 D163 A168 I169 Q170A162-T166 WeakPolarHBondContact O-CG2 3.42Å; A162-T166 PolarHBondContact O-N 3.32Å; A162-T166 PolarHBondContact O-OG1 2.99Å; D163-T166 WeakPolarHBondContact CA-OG1 3.02Å; D163-T166 PolarHBondContact O-OG1 3.13Å; T166-A168 PolarHBondContact O-N 3.14Å; T166-I169 PolarHBondContact O-N 2.8Å; T166-Q170 WeakPolarHBondContact O-CB 3.43Å; T166-Q170 PolarHBondContact O-N 3.43Å
167A95.9Very high95.6Very high2 Ų261.1 Ų61.12%0.01731%0.31CS..Hα-helixtrans-61.4-41.7174.500000112.9I155 D163 N165 Q170 A171 S235I155-A167 HydrophobicContact CG2-CB 4.08Å; D163-A167 VanDerWaalsContact O-CB 3.25Å; D163-A167 WeakPolarHBondContact O-CB 3.34Å; D163-A167 PolarHBondContact O-N 3.45Å; N165-A167 VanDerWaalsContact C-N 3.35Å; A167-Q170 WeakPolarHBondContact O-CB 3.39Å; A167-Q170 PolarHBondContact O-N 3Å; A167-A171 PolarHBondContact O-N 3.44Å; A167-S235 WeakPolarHBondContact CB-O 3.38Å
168A96.2Very high95.6Very high0 Ų060 Ų600%031%0.305CS..Hα-helixtrans-66.6-45.3178.500000112.2F152 I155 A164 N165 T166 Q170 A171 I172F152-A168 HydrophobicContact CD2-CB 3.59Å; F152-A168 HydrophobicContact CE2-CB 3.78Å; F152-A168 HydrophobicContact CG-CB 4.4Å; I155-A168 HydrophobicContact CB-CB 4.12Å; I155-A168 HydrophobicContact CG2-CB 3.97Å; A164-A168 WeakPolarHBondContact O-CB 3.37Å; A164-A168 PolarHBondContact O-N 2.95Å; N165-A168 PolarHBondContact O-N 3.03Å; T166-A168 PolarHBondContact O-N 3.14Å; A168-Q170 VanDerWaalsContact C-N 3.3Å; A168-Q170 PolarHBondContact O-N 3.3Å; A168-A171 PolarHBondContact O-N 3.3Å; A168-I172 PolarHBondContact O-N 3.44Å; A168-I172 VanDerWaalsContact O-N 3.13Å
169I95.4Very high95.7Very high101 Ų10156.2 Ų56.252%0.51829%0.291SS..Hα-helixtrans-62.3-41.7175.2-67.9168.6000110.3F152 N165 T166 A171 I172 L173F152-I169 HydrophobicContact CE2-CG1 4.06Å; N165-I169 WeakPolarHBondContact O-CG1 3.26Å; N165-I169 PolarHBondContact O-N 3.32Å; T166-I169 PolarHBondContact O-N 2.8Å; I169-A171 PolarHBondContact O-N 3.33Å; I169-I172 PolarHBondContact O-N 3.21Å; I169-L173 PolarHBondContact O-N 2.92Å
170Q95.4Very high95.9Very high32 Ų3253.2 Ų53.215%0.1529%0.286CS..Hα-helixtrans-57.2-49.5176.3-173.2-168.5-14.300110.7T166 A167 A168 I172 L173 Y174 P231 W232 S235 H534T166-Q170 WeakPolarHBondContact O-CB 3.43Å; T166-Q170 PolarHBondContact O-N 3.43Å; A167-Q170 WeakPolarHBondContact O-CB 3.39Å; A167-Q170 PolarHBondContact O-N 3Å; A168-Q170 VanDerWaalsContact C-N 3.3Å; A168-Q170 PolarHBondContact O-N 3.3Å; Q170-I172 VanDerWaalsContact C-N 3.3Å; Q170-I172 PolarHBondContact O-N 3.42Å; Q170-L173 PolarHBondContact O-N 3.08Å; Q170-L173 VanDerWaalsContact O-N 3.16Å; Q170-Y174 HydrophobicContact CG-CD2 3.73Å; Q170-Y174 HydrophobicContact CG-CE2 3.49Å; Q170-Y174 VanDerWaalsContact CG-CE2 3.49Å; Q170-Y174 WeakPolarHBondContact O-CD2 3.32Å; Q170-Y174 PolarHBondContact O-N 3.05Å; Q170-P231 PolarHBondContact NE2-O 2.53Å; Q170-P231 VanDerWaalsContact NE2-O 3.07Å; Q170-W232 HydrophobicContact CG-CB 4.31Å; Q170-S235 VanDerWaalsContact CD-OG 3.32Å; Q170-S235 PolarHBondContact NE2-OG 3.44Å; Q170-S235 PolarHBondContact OE1-OG 3Å; Q170-H534 PolarHBondContact NE2-CE1 3.05Å
171A94.9Very high95.9Very high0 Ų048.8 Ų48.80%025%0.25CC..Hα-helixtrans-58.2-40.3177.500000112.8I155 A167 A168 I169 N175 W232I155-A171 HydrophobicContact CD1-CB 4.03Å; A167-A171 PolarHBondContact O-N 3.44Å; A168-A171 PolarHBondContact O-N 3.3Å; I169-A171 PolarHBondContact O-N 3.33Å; A171-N175 WeakPolarHBondContact O-CB 3.37Å; A171-N175 PolarHBondContact O-N 3.03Å; A171-N175 PolarHBondContact O-ND2 2.96Å; A171-N175 VanDerWaalsContact O-ND2 3.12Å; A171-W232 HydrophobicContact CB-CB 4.29Å; A171-W232 HydrophobicContact CB-CD2 4.43Å; A171-W232 HydrophobicContact CB-CE3 3.89Å
172I96.2Very high96Very high44 Ų4442.4 Ų42.423%0.22623%0.226CC..Hα-helixtrans-65-44175.1-100.148.8000112.1G148 F152 A168 I169 Q170 Y174 N175 R176G148-I172 WeakPolarHBondContact O-CD1 3.38Å; F152-I172 HydrophobicContact CB-CD1 3.55Å; F152-I172 HydrophobicContact CB-CG1 4.26Å; F152-I172 HydrophobicContact CD2-CD1 4.19Å; F152-I172 HydrophobicContact CD2-CG1 4.26Å; F152-I172 HydrophobicContact CG-CD1 4.26Å; A168-I172 PolarHBondContact O-N 3.44Å; A168-I172 VanDerWaalsContact O-N 3.13Å; I169-I172 PolarHBondContact O-N 3.21Å; Q170-I172 VanDerWaalsContact C-N 3.3Å; Q170-I172 PolarHBondContact O-N 3.42Å; I172-Y174 PolarHBondContact O-N 2.89Å; I172-N175 PolarHBondContact O-N 3.17Å; I172-R176 HydrophobicContact CG2-CG 4.35Å; I172-R176 WeakPolarHBondContact O-CB 3.11Å; I172-R176 WeakPolarHBondContact O-CG 3.49Å; I172-R176 PolarHBondContact O-N 3.47Å
173L96.1Very high96Very high97 Ų9743.3 Ų43.351%0.50822%0.22SC..Hα-helixtrans-60.5-47.9-179.6-165.9161.1000110.8I169 Q170 N175 R176 I177I169-L173 PolarHBondContact O-N 2.92Å; Q170-L173 PolarHBondContact O-N 3.08Å; Q170-L173 VanDerWaalsContact O-N 3.16Å; L173-N175 PolarHBondContact O-N 3.05Å; L173-R176 PolarHBondContact O-N 3.41Å; L173-I177 HydrophobicContact CD2-CD1 3.62Å; L173-I177 HydrophobicContact CD2-CG1 4.27Å; L173-I177 WeakPolarHBondContact O-CG1 3.33Å; L173-I177 PolarHBondContact O-N 3.46Å
174Y96Very high96.1Very high17 Ų1742.7 Ų42.77%0.06722%0.216CC..Hα-helixtrans-64.3-39.4177.8-77.9-72.9000113Q170 I172 R176 I177 G178 L229 W232 H534Q170-Y174 HydrophobicContact CG-CD2 3.73Å; Q170-Y174 HydrophobicContact CG-CE2 3.49Å; Q170-Y174 VanDerWaalsContact CG-CE2 3.49Å; Q170-Y174 WeakPolarHBondContact O-CD2 3.32Å; Q170-Y174 PolarHBondContact O-N 3.05Å; I172-Y174 PolarHBondContact O-N 2.89Å; Y174-R176 VanDerWaalsContact C-N 3.34Å; Y174-I177 PolarHBondContact O-N 3.28Å; Y174-G178 PolarHBondContact O-N 3.46Å; Y174-L229 HydrophobicContact CD1-CB 3.76Å; Y174-L229 HydrophobicContact CD1-CD2 3.5Å; Y174-L229 HydrophobicContact CD1-CG 4.19Å; Y174-L229 HydrophobicContact CE1-CB 4.33Å; Y174-L229 HydrophobicContact CE1-CD2 3.83Å; Y174-W232 VanDerWaalsContact CB-CD1 3.5Å; Y174-W232 HydrophobicContact CD2-CB 3.68Å; Y174-W232 HydrophobicContact CD2-CG 4.25Å; Y174-W232 HydrophobicContact CE2-CB 4.37Å; Y174-W232 HydrophobicContact CG-CB 4.28Å; Y174-W232 AromaticContact CG-CD1 3.79Å; Y174-W232 HydrophobicContact CG-CG 4.37Å; Y174-H534 AromaticContact CE2-NE2 3.9Å; Y174-H534 AromaticContact CZ-NE2 3.8Å; Y174-H534 PolarHBondContact OH-NE2 3.41Å
175N95.3Very high96Very high3 Ų342.7 Ų42.72%0.01622%0.216CC..Hα-helixtrans-62.4-42.9174.5-71.3-22000111.4A171 I172 L173 I177 G178 D179 K223 M252A171-N175 WeakPolarHBondContact O-CB 3.37Å; A171-N175 PolarHBondContact O-N 3.03Å; A171-N175 PolarHBondContact O-ND2 2.96Å; A171-N175 VanDerWaalsContact O-ND2 3.12Å; I172-N175 PolarHBondContact O-N 3.17Å; L173-N175 PolarHBondContact O-N 3.05Å; N175-I177 VanDerWaalsContact C-N 3.31Å; N175-I177 PolarHBondContact O-N 3.36Å; N175-G178 CarbonylContact O-C 3.19Å; N175-G178 VanDerWaalsContact O-CA 3.31Å; N175-G178 WeakPolarHBondContact O-CA 3.46Å; N175-G178 PolarHBondContact O-N 3.43Å; N175-D179 PolarHBondContact O-N 3.31Å; N175-K223 HydrophobicContact CB-CD 4.42Å; N175-K223 WeakPolarHBondContact OD1-CD 3.48Å; N175-M252 WeakPolarHBondContact ND2-CE 3.31Å
176R96.8Very high95.9Very high111 Ų11141.2 Ų41.242%0.41921%0.208SC..Hα-helixtrans-63.6-34.3179-68.9-74.1165.9-174.2-6.9113E145 I172 L173 Y174 G178 D179 I180E145-R176 VanDerWaalsContact CD-CZ 3.47Å; E145-R176 IonicContact OE1-CZ 3.89Å; E145-R176 IonicContact OE1-NE 2.74Å; E145-R176 IonicContact OE1-NH1 3.97Å; E145-R176 PolarHBondContact OE1-NH1 2.92Å; E145-R176 IonicContact OE1-NH2 2.92Å; E145-R176 PolarHBondContact OE1-NH2 3.35Å; E145-R176 IonicContact OE2-CZ 3.89Å; E145-R176 IonicContact OE2-NE 3.65Å; E145-R176 IonicContact OE2-NH1 3.89Å; E145-R176 IonicContact OE2-NH2 3.61Å; E145-R176 PolarHBondContact OE2-NH2 3.12Å; I172-R176 HydrophobicContact CG2-CG 4.35Å; I172-R176 WeakPolarHBondContact O-CB 3.11Å; I172-R176 WeakPolarHBondContact O-CG 3.49Å; I172-R176 PolarHBondContact O-N 3.47Å; L173-R176 PolarHBondContact O-N 3.41Å; Y174-R176 VanDerWaalsContact C-N 3.34Å; R176-G178 VanDerWaalsContact C-N 3.3Å; R176-G178 PolarHBondContact O-N 2.78Å; R176-D179 VanDerWaalsContact CA-OD2 3.3Å; R176-D179 WeakPolarHBondContact CA-OD2 3.34Å; R176-D179 WeakPolarHBondContact CD-OD2 3.49Å; R176-D179 IonicContact CZ-OD2 3.97Å; R176-D179 IonicContact NE-OD2 2.62Å; R176-D179 IonicContact NH1-OD2 3.03Å; R176-D179 PolarHBondContact O-N 2.92Å; R176-I180 WeakPolarHBondContact O-CG1 3.46Å; R176-I180 PolarHBondContact O-N 2.96Å
177I96.9Very high95.8Very high56 Ų5639.2 Ų39.229%0.28720%0.201SC..Hα-helixtrans-61.3-41.7170.1-66.2167.4000110.5L173 Y174 N175 I180 L229L173-I177 HydrophobicContact CD2-CD1 3.62Å; L173-I177 HydrophobicContact CD2-CG1 4.27Å; L173-I177 WeakPolarHBondContact O-CG1 3.33Å; L173-I177 PolarHBondContact O-N 3.46Å; Y174-I177 PolarHBondContact O-N 3.28Å; N175-I177 VanDerWaalsContact C-N 3.31Å; N175-I177 PolarHBondContact O-N 3.36Å; I177-I180 PolarHBondContact O-N 3.36Å; I177-L229 HydrophobicContact CB-CD2 4.42Å; I177-L229 HydrophobicContact CD1-CD2 4.06Å; I177-L229 HydrophobicContact CG2-CD1 4.01Å; I177-L229 HydrophobicContact CG2-CD2 3.98Å
178G96.1Very high95.7Very high0 Ų040.9 Ų40.90%021%0.207CC..Hα-helixtrans-64.5-38.7172.700000113Y174 N175 R176 I180 G181 F182 A219Y174-G178 PolarHBondContact O-N 3.46Å; N175-G178 CarbonylContact O-C 3.19Å; N175-G178 VanDerWaalsContact O-CA 3.31Å; N175-G178 WeakPolarHBondContact O-CA 3.46Å; N175-G178 PolarHBondContact O-N 3.43Å; R176-G178 VanDerWaalsContact C-N 3.3Å; R176-G178 PolarHBondContact O-N 2.78Å; G178-I180 PolarHBondContact O-N 3.09Å; G178-G181 WeakPolarHBondContact O-CA 3.37Å; G178-G181 PolarHBondContact O-N 3.14Å; G178-F182 PolarHBondContact O-N 3.32Å; G178-F182 VanDerWaalsContact O-N 3.1Å; G178-A219 VanDerWaalsContact O-CA 3.3Å; G178-A219 WeakPolarHBondContact O-CA 3.37Å; G178-A219 WeakPolarHBondContact O-CB 3.33Å
179D96.5Very high95.4Very high3 Ų341 Ų412%0.01621%0.207CC..Hα-helixtrans-62.3-31.4-179.8-56.2-25.9000111.9F141 W144 N175 R176 G181 F182 I183F141-D179 HydrophobicContact CE2-CB 4.49Å; W144-D179 PolarHBondContact NE1-OD1 3Å; N175-D179 PolarHBondContact O-N 3.31Å; R176-D179 VanDerWaalsContact CA-OD2 3.3Å; R176-D179 WeakPolarHBondContact CA-OD2 3.34Å; R176-D179 WeakPolarHBondContact CD-OD2 3.49Å; R176-D179 IonicContact CZ-OD2 3.97Å; R176-D179 IonicContact NE-OD2 2.62Å; R176-D179 IonicContact NH1-OD2 3.03Å; R176-D179 PolarHBondContact O-N 2.92Å; D179-G181 VanDerWaalsContact C-N 3.28Å; D179-G181 PolarHBondContact O-N 2.9Å; D179-F182 PolarHBondContact O-N 2.74Å; D179-I183 WeakPolarHBondContact O-CB 3.25Å; D179-I183 VanDerWaalsContact O-CG1 3.26Å; D179-I183 WeakPolarHBondContact O-CG1 3.48Å; D179-I183 PolarHBondContact O-N 3.21Å
180I97.6Very high95.2Very high113 Ų11338.4 Ų38.458%0.57919%0.194SC*.Hα-helixtrans-56.9-44.4171.4-63.8166.4000110.5R176 I177 G178 L184R176-I180 WeakPolarHBondContact O-CG1 3.46Å; R176-I180 PolarHBondContact O-N 2.96Å; I177-I180 PolarHBondContact O-N 3.36Å; G178-I180 PolarHBondContact O-N 3.09Å; I180-L184 WeakPolarHBondContact O-CB 3.35Å; I180-L184 PolarHBondContact O-N 3.08Å
181G96.3Very high95Very high1 Ų143.5 Ų43.51%0.0122%0.221CC..Hα-helixtrans-66.7-39.3176.900000112.9G178 D179 L184 A185 G215G178-G181 WeakPolarHBondContact O-CA 3.37Å; G178-G181 PolarHBondContact O-N 3.14Å; D179-G181 VanDerWaalsContact C-N 3.28Å; D179-G181 PolarHBondContact O-N 2.9Å; G181-L184 WeakPolarHBondContact O-CB 3.47Å; G181-L184 PolarHBondContact O-N 2.96Å; G181-A185 PolarHBondContact O-N 2.95Å; G181-A185 VanDerWaalsContact O-N 3.08Å; G181-G215 CarbonylContact C-O 3.46Å; G181-G215 VanDerWaalsContact CA-O 3.26Å; G181-G215 WeakPolarHBondContact CA-O 3.49Å; G181-G215 CarbonylContact O-C 3.28Å; G181-G215 VanDerWaalsContact O-C 3.28Å; G181-G215 VanDerWaalsContact O-CA 3.24Å; G181-G215 WeakPolarHBondContact O-CA 3.32Å
182F96Very high94.7Very high1 Ų149.4 Ų49.40%0.00425%0.249CC..Hα-helixtrans-64.5-46.8176.5-164.1-68.8000111.4L137 L140 F141 W144 G178 D179 L184 A185 L186 A219 L259L137-F182 HydrophobicContact CD2-CE1 4.37Å; L137-F182 HydrophobicContact CD2-CZ 3.95Å; L140-F182 HydrophobicContact CB-CZ 4.43Å; L140-F182 HydrophobicContact CD2-CE2 3.57Å; L140-F182 HydrophobicContact CD2-CZ 3.76Å; F141-F182 HydrophobicContact CB-CD1 4.33Å; F141-F182 HydrophobicContact CB-CE1 3.73Å; F141-F182 HydrophobicContact CB-CZ 4.17Å; F141-F182 AromaticContact CD2-CD1 3.47Å; F141-F182 HydrophobicContact CD2-CD1 3.47Å; F141-F182 VanDerWaalsContact CD2-CD1 3.47Å; F141-F182 AromaticContact CD2-CE1 3.77Å; F141-F182 HydrophobicContact CD2-CE1 3.77Å; F141-F182 AromaticContact CD2-CG 4Å; F141-F182 HydrophobicContact CD2-CG 4Å; F141-F182 HydrophobicContact CD2-CZ 4.47Å; F141-F182 HydrophobicContact CE2-CD1 4.2Å; F141-F182 HydrophobicContact CG-CD1 4.25Å; F141-F182 HydrophobicContact CG-CE1 4.15Å; W144-F182 HydrophobicContact CD2-CD2 4.26Å; W144-F182 HydrophobicContact CD2-CE2 4.48Å; W144-F182 HydrophobicContact CZ2-CD2 4.47Å; G178-F182 PolarHBondContact O-N 3.32Å; G178-F182 VanDerWaalsContact O-N 3.1Å; D179-F182 PolarHBondContact O-N 2.74Å; F182-L184 VanDerWaalsContact C-N 3.31Å; F182-L184 PolarHBondContact O-N 3.32Å; F182-A185 WeakPolarHBondContact O-CB 3.08Å; F182-A185 PolarHBondContact O-N 3.03Å; F182-A185 VanDerWaalsContact O-N 3.16Å; F182-L186 HydrophobicContact CD1-CD1 3.66Å; F182-L186 HydrophobicContact CD1-CG 3.89Å; F182-L186 HydrophobicContact CE1-CD1 3.64Å; F182-L186 HydrophobicContact CE1-CD2 4.26Å; F182-L186 HydrophobicContact CE1-CG 3.71Å; F182-L186 PolarHBondContact O-N 2.75Å; F182-A219 HydrophobicContact CB-CB 3.95Å; F182-A219 HydrophobicContact CD2-CB 4.29Å; F182-L259 HydrophobicContact CD2-CD1 3.49Å; F182-L259 VanDerWaalsContact CD2-CD1 3.49Å; F182-L259 HydrophobicContact CE2-CD1 3.36Å
183I96.8Very high94.3Very high86 Ų8647.5 Ų47.544%0.44124%0.239SC..Hα-helixtrans-65.2-37.3178.8-66.8166000110.5F141 D179 A185 L186 A187F141-I183 HydrophobicContact CE2-CG1 4.14Å; F141-I183 HydrophobicContact CZ-CD1 4.18Å; F141-I183 HydrophobicContact CZ-CG1 4.17Å; D179-I183 WeakPolarHBondContact O-CB 3.25Å; D179-I183 VanDerWaalsContact O-CG1 3.26Å; D179-I183 WeakPolarHBondContact O-CG1 3.48Å; D179-I183 PolarHBondContact O-N 3.21Å; I183-A185 VanDerWaalsContact C-N 3.31Å; I183-A185 PolarHBondContact O-N 3.4Å; I183-L186 WeakPolarHBondContact O-CB 3.41Å; I183-L186 PolarHBondContact O-N 2.93Å; I183-A187 WeakPolarHBondContact O-CB 3.05Å; I183-A187 PolarHBondContact O-N 3.09Å
184L95.7Very high94Very high93 Ų9346.6 Ų46.649%0.48724%0.235SC..Hα-helixtrans-58.5-44.1172.4-178.270.1000111.4I180 G181 F182 A187 W188I180-L184 WeakPolarHBondContact O-CB 3.35Å; I180-L184 PolarHBondContact O-N 3.08Å; G181-L184 WeakPolarHBondContact O-CB 3.47Å; G181-L184 PolarHBondContact O-N 2.96Å; F182-L184 VanDerWaalsContact C-N 3.31Å; F182-L184 PolarHBondContact O-N 3.32Å; L184-A187 PolarHBondContact O-N 3.1Å; L184-W188 WeakPolarHBondContact O-CB 3.42Å; L184-W188 PolarHBondContact O-N 3.47Å
185A93.9Very high93.7Very high1 Ų146.2 Ų46.21%0.00824%0.235CC..Hα-helixtrans-64.6-45.3176.200000111.7G181 F182 I183 A187 W188 F189 P212 L216G181-A185 PolarHBondContact O-N 2.95Å; G181-A185 VanDerWaalsContact O-N 3.08Å; F182-A185 WeakPolarHBondContact O-CB 3.08Å; F182-A185 PolarHBondContact O-N 3.03Å; F182-A185 VanDerWaalsContact O-N 3.16Å; I183-A185 VanDerWaalsContact C-N 3.31Å; I183-A185 PolarHBondContact O-N 3.4Å; A185-A187 VanDerWaalsContact C-N 3.35Å; A185-A187 PolarHBondContact O-N 3.27Å; A185-W188 PolarHBondContact O-N 2.73Å; A185-F189 HydrophobicContact CB-CD2 4.34Å; A185-F189 HydrophobicContact CB-CE2 4.06Å; A185-F189 WeakPolarHBondContact O-CD2 3.12Å; A185-F189 WeakPolarHBondContact O-CG 3.31Å; A185-F189 PolarHBondContact O-N 3.26Å; A185-P212 HydrophobicContact CB-CB 4.33Å; A185-L216 HydrophobicContact CB-CD2 3.89Å; A185-L216 HydrophobicContact CB-CG 3.93Å
186L93.8Very high93.5Very high19 Ų1948.3 Ų48.310%0.09924%0.242CC..Hα-helixtrans-55.2-47.5174.3-82.8171.2000112.5L137 F141 F182 I183 W188 I190 W196L137-L186 HydrophobicContact CB-CD2 3.53Å; L137-L186 HydrophobicContact CD1-CD2 4.27Å; L137-L186 HydrophobicContact CG-CD2 4.46Å; F141-L186 HydrophobicContact CB-CD1 4.43Å; F141-L186 HydrophobicContact CD2-CD1 4.5Å; F141-L186 HydrophobicContact CG-CD1 4.35Å; F182-L186 HydrophobicContact CD1-CD1 3.66Å; F182-L186 HydrophobicContact CD1-CG 3.89Å; F182-L186 HydrophobicContact CE1-CD1 3.64Å; F182-L186 HydrophobicContact CE1-CD2 4.26Å; F182-L186 HydrophobicContact CE1-CG 3.71Å; F182-L186 PolarHBondContact O-N 2.75Å; I183-L186 WeakPolarHBondContact O-CB 3.41Å; I183-L186 PolarHBondContact O-N 2.93Å; L186-W188 VanDerWaalsContact C-N 3.35Å; L186-I190 PolarHBondContact O-N 3.05Å; L186-W196 HydrophobicContact CD2-CD2 4.46Å; L186-W196 HydrophobicContact CD2-CG 4.39Å
187A94.4Very high93.2Very high44 Ų4445.2 Ų45.236%0.36423%0.234SC..Hα-helixtrans-65.7-38.8179.400000111.5I183 L184 A185 I190 L191I183-A187 WeakPolarHBondContact O-CB 3.05Å; I183-A187 PolarHBondContact O-N 3.09Å; L184-A187 PolarHBondContact O-N 3.1Å; A185-A187 VanDerWaalsContact C-N 3.35Å; A185-A187 PolarHBondContact O-N 3.27Å; A187-I190 VanDerWaalsContact O-CG2 3.28Å; A187-I190 WeakPolarHBondContact O-CG2 3.33Å; A187-L191 WeakPolarHBondContact O-CD1 3.35Å; A187-L191 VanDerWaalsContact O-CG 3.23Å; A187-L191 WeakPolarHBondContact O-CG 3.47Å; A187-L191 PolarHBondContact O-N 3.46Å
188W92.9Very high92.6Very high37 Ų3743.7 Ų43.714%0.1423%0.228CC..Hα-helixtrans-67.6-46.3177.5-168.687.4000111.8L184 A185 L186 I190 L191 H192 S209 T211 P212L184-W188 WeakPolarHBondContact O-CB 3.42Å; L184-W188 PolarHBondContact O-N 3.47Å; A185-W188 PolarHBondContact O-N 2.73Å; L186-W188 VanDerWaalsContact C-N 3.35Å; W188-I190 PolarHBondContact O-N 2.81Å; W188-L191 PolarHBondContact O-N 3.39Å; W188-H192 AromaticContact CD1-CD2 3.6Å; W188-H192 AromaticContact CD1-NE2 3.81Å; W188-H192 AromaticContact CD2-CD2 3.63Å; W188-H192 AromaticContact CE2-CD2 3.13Å; W188-H192 AromaticContact CE2-CG 3.86Å; W188-H192 AromaticContact CE2-NE2 3.69Å; W188-H192 AromaticContact CG-CD2 3.88Å; W188-H192 HydrophobicContact CH2-CB 4.03Å; W188-H192 HydrophobicContact CZ2-CB 4.03Å; W188-H192 AromaticContact CZ2-CD2 3.48Å; W188-H192 VanDerWaalsContact CZ2-CD2 3.48Å; W188-H192 WeakPolarHBondContact CZ2-CD2 3.44Å; W188-H192 AromaticContact CZ2-CG 3.73Å; W188-H192 HydrophobicContact CZ3-CB 4.3Å; W188-H192 AromaticContact NE1-CD2 3.15Å; W188-H192 PolarHBondContact NE1-CD2 3.29Å; W188-H192 AromaticContact NE1-NE2 3.26Å; W188-H192 PolarHBondContact NE1-NE2 3.37Å; W188-H192 PolarHBondContact O-CD2 3.29Å; W188-H192 VanDerWaalsContact O-CD2 3.31Å; W188-H192 PolarHBondContact O-N 2.99Å; W188-H192 VanDerWaalsContact O-N 3.09Å; W188-S209 VanDerWaalsContact CH2-OG 3.32Å; W188-S209 WeakPolarHBondContact CH2-OG 3.27Å; W188-S209 VanDerWaalsContact CZ2-CB 3.47Å; W188-S209 WeakPolarHBondContact CZ2-OG 3.37Å; W188-S209 PolarHBondContact NE1-OG 3.46Å; W188-T211 VanDerWaalsContact CD1-OG1 3.32Å; W188-T211 PolarHBondContact NE1-OG1 3.36Å; W188-P212 HydrophobicContact CB-CB 4.35Å; W188-P212 HydrophobicContact CD2-CB 4.06Å; W188-P212 HydrophobicContact CD2-CG 3.74Å; W188-P212 HydrophobicContact CE3-CB 3.74Å; W188-P212 HydrophobicContact CE3-CG 3.45Å; W188-P212 VanDerWaalsContact CE3-CG 3.45Å; W188-P212 HydrophobicContact CG-CB 4.3Å; W188-P212 HydrophobicContact CG-CG 4.34Å; W188-P212 HydrophobicContact CH2-CG 4.43Å; W188-P212 HydrophobicContact CZ3-CB 4.47Å; W188-P212 HydrophobicContact CZ3-CG 3.8Å
189F91.1Very high92.1Very high2 Ų246.2 Ų46.21%0.00924%0.24CC..Hα-helixtrans-65.4-39.1179.9-69-54.8000112.7L137 A185 L191 H192 S193 N194 M201 P212 L216 L266L137-F189 HydrophobicContact CD1-CD2 3.51Å; L137-F189 HydrophobicContact CD1-CE2 4.04Å; L137-F189 HydrophobicContact CD1-CG 4.32Å; A185-F189 HydrophobicContact CB-CD2 4.34Å; A185-F189 HydrophobicContact CB-CE2 4.06Å; A185-F189 WeakPolarHBondContact O-CD2 3.12Å; A185-F189 WeakPolarHBondContact O-CG 3.31Å; A185-F189 PolarHBondContact O-N 3.26Å; F189-L191 VanDerWaalsContact C-N 3.34Å; F189-L191 PolarHBondContact O-N 3.12Å; F189-H192 PolarHBondContact O-N 3.12Å; F189-S193 WeakPolarHBondContact O-CA 3.4Å; F189-S193 PolarHBondContact O-N 3.49Å; F189-S193 PolarHBondContact O-OG 2.93Å; F189-N194 PolarHBondContact O-N 3.38Å; F189-M201 HydrophobicContact CB-SD 3.64Å; F189-M201 HydrophobicContact CD1-CE 4.41Å; F189-M201 HydrophobicContact CD1-CG 4.17Å; F189-M201 HydrophobicContact CD1-SD 3.36Å; F189-M201 WeakPolarHBondContact CD1-SD 3.41Å; F189-M201 HydrophobicContact CD2-CE 4.2Å; F189-M201 HydrophobicContact CD2-SD 3.62Å; F189-M201 HydrophobicContact CE1-CE 4.33Å; F189-M201 HydrophobicContact CE1-SD 3.84Å; F189-M201 HydrophobicContact CE2-CE 4.11Å; F189-M201 HydrophobicContact CE2-SD 4.05Å; F189-M201 HydrophobicContact CG-CE 4.36Å; F189-M201 HydrophobicContact CG-SD 3.26Å; F189-M201 WeakPolarHBondContact CG-SD 3.1Å; F189-M201 HydrophobicContact CZ-CE 4.18Å; F189-M201 HydrophobicContact CZ-SD 4.16Å; F189-P212 HydrophobicContact CE1-CB 4.03Å; F189-P212 HydrophobicContact CE1-CG 4.29Å; F189-P212 HydrophobicContact CE2-CB 4Å; F189-P212 HydrophobicContact CZ-CB 3.65Å; F189-P212 HydrophobicContact CZ-CG 4.27Å; F189-L216 HydrophobicContact CE2-CD1 4.44Å; F189-L266 HydrophobicContact CE1-CD1 4.13Å; F189-L266 HydrophobicContact CZ-CD1 3.94Å
190I91.1Very high91.6Very high46 Ų4650.1 Ų50.124%0.23626%0.258CS..Hα-helixtrans-65.1-38.7176.9-162.464000112T74 L186 A187 W188 N194 W196T74-I190 HydrophobicContact CG2-CD1 3.57Å; L186-I190 PolarHBondContact O-N 3.05Å; A187-I190 VanDerWaalsContact O-CG2 3.28Å; A187-I190 WeakPolarHBondContact O-CG2 3.33Å; W188-I190 PolarHBondContact O-N 2.81Å; I190-N194 WeakPolarHBondContact O-CA 3.3Å; I190-N194 PolarHBondContact O-N 3.04Å; I190-W196 HydrophobicContact CD1-CZ2 4.18Å; I190-W196 HydrophobicContact CG1-CZ2 4.34Å
191L91.1Very high91Very high140 Ų14044.7 Ų44.773%0.73323%0.23SC*.Hα-helixtrans-70.7-35-179.2-71.7170.5000113A187 W188 F189A187-L191 WeakPolarHBondContact O-CD1 3.35Å; A187-L191 VanDerWaalsContact O-CG 3.23Å; A187-L191 WeakPolarHBondContact O-CG 3.47Å; A187-L191 PolarHBondContact O-N 3.46Å; W188-L191 PolarHBondContact O-N 3.39Å; F189-L191 VanDerWaalsContact C-N 3.34Å; F189-L191 PolarHBondContact O-N 3.12Å
192H88.9Confident90.3Very high123 Ų12346.6 Ų46.657%0.56925%0.246SC*.Hα-helixtrans-104.2-40.8-172.5-70-71.5000114.7W188 F189W188-H192 AromaticContact CD1-CD2 3.6Å; W188-H192 AromaticContact CD1-NE2 3.81Å; W188-H192 AromaticContact CD2-CD2 3.63Å; W188-H192 AromaticContact CE2-CD2 3.13Å; W188-H192 AromaticContact CE2-CG 3.86Å; W188-H192 AromaticContact CE2-NE2 3.69Å; W188-H192 AromaticContact CG-CD2 3.88Å; W188-H192 HydrophobicContact CH2-CB 4.03Å; W188-H192 HydrophobicContact CZ2-CB 4.03Å; W188-H192 AromaticContact CZ2-CD2 3.48Å; W188-H192 VanDerWaalsContact CZ2-CD2 3.48Å; W188-H192 WeakPolarHBondContact CZ2-CD2 3.44Å; W188-H192 AromaticContact CZ2-CG 3.73Å; W188-H192 HydrophobicContact CZ3-CB 4.3Å; W188-H192 AromaticContact NE1-CD2 3.15Å; W188-H192 PolarHBondContact NE1-CD2 3.29Å; W188-H192 AromaticContact NE1-NE2 3.26Å; W188-H192 PolarHBondContact NE1-NE2 3.37Å; W188-H192 PolarHBondContact O-CD2 3.29Å; W188-H192 VanDerWaalsContact O-CD2 3.31Å; W188-H192 PolarHBondContact O-N 2.99Å; W188-H192 VanDerWaalsContact O-N 3.09Å; F189-H192 PolarHBondContact O-N 3.12Å
193S87Confident89.7Confident4 Ų453.8 Ų53.83%0.02828%0.283CS..Hα-helixtrans-103.1-3.6-179.354.80000113.7F189 S195F189-S193 WeakPolarHBondContact O-CA 3.4Å; F189-S193 PolarHBondContact O-N 3.49Å; F189-S193 PolarHBondContact O-OG 2.93Å; S193-S195 PolarHBondContact O-N 3.43Å; S193-S195 PolarHBondContact O-OG 3.22Å; S193-S195 PolarHBondContact OG-O 3.32Å
194N90.6Very high89Confident78 Ų7854.5 Ų54.542%0.41729%0.288SS..SBendtrans47.830.8-178.5-164.633.2000113.6T73 T74 F189 I190T73-N194 WeakPolarHBondContact CB-ND2 3.48Å; T73-N194 PolarHBondContact OG1-ND2 2.87Å; T73-N194 PolarHBondContact OG1-OD1 3.2Å; T74-N194 VanDerWaalsContact CG2-O 3.26Å; T74-N194 WeakPolarHBondContact CG2-O 3.24Å; T74-N194 VanDerWaalsContact CG2-OD1 3.31Å; T74-N194 WeakPolarHBondContact CG2-OD1 3.49Å; F189-N194 PolarHBondContact O-N 3.38Å; I190-N194 WeakPolarHBondContact O-CA 3.3Å; I190-N194 PolarHBondContact O-N 3.04Å
195S89.4Confident87.7Confident9 Ų951.4 Ų51.46%0.06327%0.271CS..  trans-158.1151.2-173.253.50000110.2S193 Q200S193-S195 PolarHBondContact O-N 3.43Å; S193-S195 PolarHBondContact O-OG 3.22Å; S193-S195 PolarHBondContact OG-O 3.32Å; S195-Q200 VanDerWaalsContact OG-CD 3.26Å; S195-Q200 WeakPolarHBondContact OG-CG 3.15Å; S195-Q200 PolarHBondContact OG-OE1 3.05Å
196W90.3Very high86.3Confident47 Ų4754.6 Ų54.618%0.17830%0.298CS..  trans-110.38.5176.3-72.8-23.4000112.8L76 L137 F138 L186 I190L76-W196 HydrophobicContact CD1-CZ3 3.87Å; L76-W196 HydrophobicContact CD2-CD2 4.45Å; L76-W196 HydrophobicContact CD2-CE3 3.27Å; L76-W196 HydrophobicContact CD2-CH2 4.37Å; L76-W196 HydrophobicContact CD2-CZ3 3.24Å; L76-W196 HydrophobicContact CG-CZ3 4.19Å; L137-W196 HydrophobicContact CB-CB 4.13Å; L137-W196 PolarHBondContact N-O 3.16Å; F138-W196 HydrophobicContact CB-CD2 4.49Å; F138-W196 HydrophobicContact CB-CE3 3.65Å; F138-W196 HydrophobicContact CB-CZ3 3.82Å; F138-W196 HydrophobicContact CD2-CZ3 4.14Å; F138-W196 HydrophobicContact CG-CE3 4.44Å; F138-W196 HydrophobicContact CG-CZ3 4.11Å; L186-W196 HydrophobicContact CD2-CD2 4.46Å; L186-W196 HydrophobicContact CD2-CG 4.39Å; I190-W196 HydrophobicContact CD1-CZ2 4.18Å; I190-W196 HydrophobicContact CG1-CZ2 4.34Å
197D90.3Very high85.2Confident47 Ų4760.7 Ų60.725%0.25133%0.331SS..  trans-95120.5-174.3-69.412.4000109.1N136 Q199 Q200 M201N136-D197 PolarHBondContact OD1-OD1 3.13Å; D197-Q199 PolarHBondContact O-N 2.98Å; D197-Q199 VanDerWaalsContact O-N 3.11Å; D197-Q200 HydrophobicContact CB-CB 4.47Å; D197-Q200 PolarHBondContact O-N 3.34Å; D197-M201 WeakPolarHBondContact O-CG 3.39Å; D197-M201 PolarHBondContact O-N 2.53Å; D197-M201 VanDerWaalsContact O-N 3.08Å
198P85.3Confident84.2Confident23 Ų2359.5 Ų59.515%0.14932%0.319CS..Hα-helixtrans-58.2-30.5-174.923.2-33.3000113.1N135 M201 A202 F263N135-P198 WeakPolarHBondContact O-CD 3.33Å; N135-P198 WeakPolarHBondContact O-CG 3.1Å; P198-M201 HydrophobicContact CB-CE 4.24Å; P198-A202 VanDerWaalsContact O-CB 3.31Å; P198-A202 WeakPolarHBondContact O-CB 3.39Å; P198-A202 PolarHBondContact O-N 2.92Å; P198-F263 HydrophobicContact CB-CE1 3.93Å
199Q84.9Confident83.6Confident53 Ų5359.5 Ų59.525%0.24833%0.325CS..Hα-helixtrans-62.3-49.4176.2-60.984.6-5.400111.5I62 N135 D197 M201 A202 L203I62-Q199 HydrophobicContact CD1-CG 4.48Å; I62-Q199 VanDerWaalsContact CD1-NE2 3.27Å; N135-Q199 PolarHBondContact ND2-OE1 3.38Å; N135-Q199 PolarHBondContact OD1-NE2 3.08Å; N135-Q199 PolarHBondContact OD1-OE1 2.98Å; N135-Q199 VanDerWaalsContact OD1-OE1 3.1Å; D197-Q199 PolarHBondContact O-N 2.98Å; D197-Q199 VanDerWaalsContact O-N 3.11Å; Q199-M201 VanDerWaalsContact C-N 3.34Å; Q199-A202 PolarHBondContact O-N 2.92Å; Q199-L203 VanDerWaalsContact O-CG 3.29Å; Q199-L203 WeakPolarHBondContact O-CG 3.5Å; Q199-L203 PolarHBondContact O-N 3.1Å; Q199-L203 VanDerWaalsContact O-N 3.12Å
200Q85.6Confident83.6Confident85 Ų8562.7 Ų62.740%0.39734%0.342SS..Hα-helixtrans-68.3-38.8-178.3-173.5173.9-400110.8S195 D197 L203 L204S195-Q200 VanDerWaalsContact OG-CD 3.26Å; S195-Q200 WeakPolarHBondContact OG-CG 3.15Å; S195-Q200 PolarHBondContact OG-OE1 3.05Å; D197-Q200 HydrophobicContact CB-CB 4.47Å; D197-Q200 PolarHBondContact O-N 3.34Å; Q200-L203 PolarHBondContact O-N 3.11Å; Q200-L204 HydrophobicContact CG-CD1 3.74Å; Q200-L204 HydrophobicContact CG-CG 4.37Å; Q200-L204 WeakPolarHBondContact O-CB 3.42Å; Q200-L204 WeakPolarHBondContact O-CG 3.33Å; Q200-L204 PolarHBondContact O-N 3.16Å
201M84.9Confident83.7Confident0 Ų063.7 Ų63.70%035%0.35CS..Hα-helixtrans-63.5-42.7176.7-61.7-172.4-44.100112.3L137 F189 D197 P198 Q199 L203 N205 F263L137-M201 HydrophobicContact CD1-CE 3.7Å; L137-M201 HydrophobicContact CD1-SD 3.8Å; L137-M201 HydrophobicContact CG-CE 4.31Å; F189-M201 HydrophobicContact CB-SD 3.64Å; F189-M201 HydrophobicContact CD1-CE 4.41Å; F189-M201 HydrophobicContact CD1-CG 4.17Å; F189-M201 HydrophobicContact CD1-SD 3.36Å; F189-M201 WeakPolarHBondContact CD1-SD 3.41Å; F189-M201 HydrophobicContact CD2-CE 4.2Å; F189-M201 HydrophobicContact CD2-SD 3.62Å; F189-M201 HydrophobicContact CE1-CE 4.33Å; F189-M201 HydrophobicContact CE1-SD 3.84Å; F189-M201 HydrophobicContact CE2-CE 4.11Å; F189-M201 HydrophobicContact CE2-SD 4.05Å; F189-M201 HydrophobicContact CG-CE 4.36Å; F189-M201 HydrophobicContact CG-SD 3.26Å; F189-M201 WeakPolarHBondContact CG-SD 3.1Å; F189-M201 HydrophobicContact CZ-CE 4.18Å; F189-M201 HydrophobicContact CZ-SD 4.16Å; D197-M201 WeakPolarHBondContact O-CG 3.39Å; D197-M201 PolarHBondContact O-N 2.53Å; D197-M201 VanDerWaalsContact O-N 3.08Å; P198-M201 HydrophobicContact CB-CE 4.24Å; Q199-M201 VanDerWaalsContact C-N 3.34Å; M201-L203 VanDerWaalsContact C-N 3.35Å; M201-N205 WeakPolarHBondContact O-CB 3.1Å; M201-N205 PolarHBondContact O-N 2.89Å; M201-F263 HydrophobicContact CE-CD1 4.14Å; M201-F263 HydrophobicContact CE-CE1 3.29Å; M201-F263 HydrophobicContact CE-CZ 4.04Å
202A82.3Confident83.7Confident41 Ų4157 Ų5734%0.33932%0.315SS..Hα-helixtrans-66.3-36.117800000112.4P198 Q199 P265P198-A202 VanDerWaalsContact O-CB 3.31Å; P198-A202 WeakPolarHBondContact O-CB 3.39Å; P198-A202 PolarHBondContact O-N 2.92Å; Q199-A202 PolarHBondContact O-N 2.92Å; A202-P265 HydrophobicContact CB-CB 4.49Å
203L84.1Confident84Confident151 Ų15151.4 Ų51.479%0.79129%0.289SS*.Hα-helixtrans-71.2-40.6177.8-71.5168.4000112.8Q199 Q200 M201Q199-L203 VanDerWaalsContact O-CG 3.29Å; Q199-L203 WeakPolarHBondContact O-CG 3.5Å; Q199-L203 PolarHBondContact O-N 3.1Å; Q199-L203 VanDerWaalsContact O-N 3.12Å; Q200-L203 PolarHBondContact O-N 3.11Å; M201-L203 VanDerWaalsContact C-N 3.35Å
204L80.7Confident84.4Confident102 Ų10254.4 Ų54.453%0.53430%0.304SS..Hα-helixtrans-79.8-33.4-175.9-68.7173000113Q200 A206Q200-L204 HydrophobicContact CG-CD1 3.74Å; Q200-L204 HydrophobicContact CG-CG 4.37Å; Q200-L204 WeakPolarHBondContact O-CB 3.42Å; Q200-L204 WeakPolarHBondContact O-CG 3.33Å; Q200-L204 PolarHBondContact O-N 3.16Å; L204-A206 PolarHBondContact O-N 3.28Å
205N69.4Low84.6Confident27 Ų2750.8 Ų50.814%0.14429%0.285CS..  trans-102.972.2-174.3-69.4-30.7000112M201 N207 L266M201-N205 WeakPolarHBondContact O-CB 3.1Å; M201-N205 PolarHBondContact O-N 2.89Å; N205-N207 PolarHBondContact O-N 2.79Å; N205-L266 HydrophobicContact CB-CD2 4.23Å
206A64.9Low84.9Confident68 Ų6850.4 Ų50.456%0.56228%0.283SS*.SBendtrans-57.7-35.9170.700000111.9L204 P208 N269L204-A206 PolarHBondContact O-N 3.28Å; A206-P208 WeakPolarHBondContact O-CD 3.34Å; A206-N269 PolarHBondContact O-ND2 3.07Å
207N70.9Confident85.2Confident148 Ų14849 Ų4979%0.79128%0.279SS*.SBendtrans-116.888.4172.3-69.9-17.5000109.7N205 S209N205-N207 PolarHBondContact O-N 2.79Å; N207-S209 PolarHBondContact O-N 3.07Å
208P71.8Confident85.6Confident19 Ų1949.9 Ų49.912%0.12328%0.283CS..  trans-65.5137.1-178.923-27000110.2A206 L213 L266 N269A206-P208 WeakPolarHBondContact O-CD 3.34Å; P208-L213 HydrophobicContact CB-CD1 4.08Å; P208-L213 HydrophobicContact CG-CD1 4.1Å; P208-L266 HydrophobicContact CB-CD2 4.34Å; P208-L266 HydrophobicContact CG-CB 4.48Å; P208-L266 WeakPolarHBondContact CG-O 3.11Å; P208-N269 HydrophobicContact CG-CB 4.35Å
209S81.5Confident86.1Confident37 Ų3748.8 Ų48.826%0.25928%0.276SS..  trans-66.3154171.573.60000110.1W188 N207 T211 P212W188-S209 VanDerWaalsContact CH2-OG 3.32Å; W188-S209 WeakPolarHBondContact CH2-OG 3.27Å; W188-S209 VanDerWaalsContact CZ2-CB 3.47Å; W188-S209 WeakPolarHBondContact CZ2-OG 3.37Å; W188-S209 PolarHBondContact NE1-OG 3.46Å; N207-S209 PolarHBondContact O-N 3.07Å; S209-T211 VanDerWaalsContact C-N 3.28Å; S209-T211 PolarHBondContact O-N 3.06Å; S209-T211 PolarHBondContact OG-OG1 3.45Å; S209-P212 VanDerWaalsContact O-CD 3.29Å; S209-P212 WeakPolarHBondContact O-CD 3.45Å; S209-P212 WeakPolarHBondContact O-CG 3.4Å; S209-P212 WeakPolarHBondContact OG-CD 3.18Å
210L90.8Very high86.7Confident69 Ų6946.2 Ų46.236%0.36126%0.264SS..Hα-helixtrans-68.2-29.2-177-169.271000112.7L213 L214 L272 I273L210-L213 PolarHBondContact O-N 3.05Å; L210-L214 HydrophobicContact CD2-CD1 3.79Å; L210-L214 HydrophobicContact CD2-CG 4.48Å; L210-L214 HydrophobicContact CG-CD1 3.71Å; L210-L214 HydrophobicContact CG-CG 3.97Å; L210-L214 WeakPolarHBondContact O-CG 3.4Å; L210-L214 PolarHBondContact O-N 2.86Å; L210-L272 HydrophobicContact CD1-CB 4.25Å; L210-L272 HydrophobicContact CD1-CD2 3.72Å; L210-L272 HydrophobicContact CD1-CG 4.28Å; L210-L272 HydrophobicContact CD2-CD2 3.66Å; L210-L272 HydrophobicContact CG-CD2 4.36Å; L210-I273 HydrophobicContact CD1-CD1 3.34Å; L210-I273 HydrophobicContact CD1-CG1 3.69Å; L210-I273 HydrophobicContact CG-CD1 4.26Å
211T92.3Very high87.2Confident66 Ų6642.4 Ų42.441%0.40525%0.247SC..Hα-helixtrans-62.7-51.3-171.145.30000115.1W188 S209 L213 L214 G215W188-T211 VanDerWaalsContact CD1-OG1 3.32Å; W188-T211 PolarHBondContact NE1-OG1 3.36Å; S209-T211 VanDerWaalsContact C-N 3.28Å; S209-T211 PolarHBondContact O-N 3.06Å; S209-T211 PolarHBondContact OG-OG1 3.45Å; T211-L213 VanDerWaalsContact C-N 3.3Å; T211-L213 PolarHBondContact O-N 3.08Å; T211-L214 PolarHBondContact O-N 3.32Å; T211-G215 PolarHBondContact O-N 3.25Å
212P92.9Very high87.7Confident1 Ų142.4 Ų42.41%0.00625%0.247CC..Hα-helixtrans-63.7-37.3176.728.8-38.4000111.4A185 W188 F189 S209 G215 L216A185-P212 HydrophobicContact CB-CB 4.33Å; W188-P212 HydrophobicContact CB-CB 4.35Å; W188-P212 HydrophobicContact CD2-CB 4.06Å; W188-P212 HydrophobicContact CD2-CG 3.74Å; W188-P212 HydrophobicContact CE3-CB 3.74Å; W188-P212 HydrophobicContact CE3-CG 3.45Å; W188-P212 VanDerWaalsContact CE3-CG 3.45Å; W188-P212 HydrophobicContact CG-CB 4.3Å; W188-P212 HydrophobicContact CG-CG 4.34Å; W188-P212 HydrophobicContact CH2-CG 4.43Å; W188-P212 HydrophobicContact CZ3-CB 4.47Å; W188-P212 HydrophobicContact CZ3-CG 3.8Å; F189-P212 HydrophobicContact CE1-CB 4.03Å; F189-P212 HydrophobicContact CE1-CG 4.29Å; F189-P212 HydrophobicContact CE2-CB 4Å; F189-P212 HydrophobicContact CZ-CB 3.65Å; F189-P212 HydrophobicContact CZ-CG 4.27Å; S209-P212 VanDerWaalsContact O-CD 3.29Å; S209-P212 WeakPolarHBondContact O-CD 3.45Å; S209-P212 WeakPolarHBondContact O-CG 3.4Å; S209-P212 WeakPolarHBondContact OG-CD 3.18Å; P212-G215 PolarHBondContact O-N 2.77Å; P212-L216 VanDerWaalsContact O-CG 3.28Å; P212-L216 WeakPolarHBondContact O-CG 3.33Å; P212-L216 PolarHBondContact O-N 3.36Å
213L93.3Very high88.3Confident5 Ų540.5 Ų40.53%0.02623%0.231CC..Hα-helixtrans-69-38.4-179.8-65.9173000112.1P208 L210 T211 G215 L216 L217 L266 S270 I273P208-L213 HydrophobicContact CB-CD1 4.08Å; P208-L213 HydrophobicContact CG-CD1 4.1Å; L210-L213 PolarHBondContact O-N 3.05Å; T211-L213 VanDerWaalsContact C-N 3.3Å; T211-L213 PolarHBondContact O-N 3.08Å; L213-G215 VanDerWaalsContact C-N 3.34Å; L213-L216 HydrophobicContact CD2-CD1 4.4Å; L213-L216 PolarHBondContact O-N 3.36Å; L213-L217 WeakPolarHBondContact O-CB 3.44Å; L213-L217 PolarHBondContact O-N 3.43Å; L213-L266 HydrophobicContact CD2-CB 4.01Å; L213-S270 VanDerWaalsContact CD1-OG 3.27Å; L213-S270 WeakPolarHBondContact CD1-OG 3.2Å; L213-I273 HydrophobicContact CB-CD1 3.97Å; L213-I273 HydrophobicContact CB-CG1 3.71Å; L213-I273 HydrophobicContact CB-CG2 4.31Å; L213-I273 HydrophobicContact CD1-CG1 3.93Å; L213-I273 HydrophobicContact CG-CG1 4.47Å
214L95.4Very high88.8Confident66 Ų6633.3 Ų33.335%0.34619%0.194SC..Hα-helixtrans-63.4-39.6169.7-75.2173.1000111.8L210 T211 L217 L218 I273 L276L210-L214 HydrophobicContact CD2-CD1 3.79Å; L210-L214 HydrophobicContact CD2-CG 4.48Å; L210-L214 HydrophobicContact CG-CD1 3.71Å; L210-L214 HydrophobicContact CG-CG 3.97Å; L210-L214 WeakPolarHBondContact O-CG 3.4Å; L210-L214 PolarHBondContact O-N 2.86Å; T211-L214 PolarHBondContact O-N 3.32Å; L214-L217 PolarHBondContact O-N 2.67Å; L214-L218 PolarHBondContact O-N 3.44Å; L214-I273 HydrophobicContact CD2-CD1 3.92Å; L214-I273 HydrophobicContact CG-CD1 4.04Å; L214-L276 HydrophobicContact CD2-CD1 3.79Å
215G96.1Very high89.4Confident2 Ų228.5 Ų28.52%0.02117%0.168CC..Hα-helixtrans-60.5-46.9173.500000112.5G181 T211 P212 L213 L217 L218 A219G181-G215 CarbonylContact C-O 3.46Å; G181-G215 VanDerWaalsContact CA-O 3.26Å; G181-G215 WeakPolarHBondContact CA-O 3.49Å; G181-G215 CarbonylContact O-C 3.28Å; G181-G215 VanDerWaalsContact O-C 3.28Å; G181-G215 VanDerWaalsContact O-CA 3.24Å; G181-G215 WeakPolarHBondContact O-CA 3.32Å; T211-G215 PolarHBondContact O-N 3.25Å; P212-G215 PolarHBondContact O-N 2.77Å; L213-G215 VanDerWaalsContact C-N 3.34Å; G215-L217 VanDerWaalsContact C-N 3.35Å; G215-L217 PolarHBondContact O-N 3.04Å; G215-L218 PolarHBondContact O-N 2.9Å; G215-A219 WeakPolarHBondContact O-CB 3.29Å; G215-A219 PolarHBondContact O-N 3.29Å
216L95.6Very high90.7Very high1 Ų127.2 Ų27.21%0.00516%0.161CC..Hα-helixtrans-64.4-37.4175.5-67171.5000111.9A185 F189 P212 L213 A219 A220 L259 L260 F263A185-L216 HydrophobicContact CB-CD2 3.89Å; A185-L216 HydrophobicContact CB-CG 3.93Å; F189-L216 HydrophobicContact CE2-CD1 4.44Å; P212-L216 VanDerWaalsContact O-CG 3.28Å; P212-L216 WeakPolarHBondContact O-CG 3.33Å; P212-L216 PolarHBondContact O-N 3.36Å; L213-L216 HydrophobicContact CD2-CD1 4.4Å; L213-L216 PolarHBondContact O-N 3.36Å; L216-A219 PolarHBondContact O-N 2.77Å; L216-A220 VanDerWaalsContact O-CB 3.32Å; L216-A220 WeakPolarHBondContact O-CB 3.49Å; L216-A220 PolarHBondContact O-N 3.49Å; L216-L259 HydrophobicContact CB-CD2 3.81Å; L216-L259 HydrophobicContact CD2-CD1 4.23Å; L216-L259 HydrophobicContact CD2-CD2 3.6Å; L216-L259 HydrophobicContact CD2-CG 4.19Å; L216-L259 HydrophobicContact CG-CD2 4.19Å; L216-L260 HydrophobicContact CB-CD2 4.19Å; L216-F263 HydrophobicContact CD1-CB 4.01Å; L216-F263 HydrophobicContact CD1-CD1 4.46Å; L216-F263 HydrophobicContact CD1-CD2 3.76Å; L216-F263 HydrophobicContact CD1-CE2 4.48Å; L216-F263 HydrophobicContact CD1-CG 3.78Å; L216-F263 HydrophobicContact CD2-CD2 4.04Å; L216-F263 HydrophobicContact CD2-CE2 4.18Å
217L96.6Very high92.2Very high19 Ų1927.1 Ų27.110%0.09915%0.151CC..Hα-helixtrans-64.1-42.2174-174.6154.3000111.4L213 L214 G215 A220 A221 L276 T277 L280 M314L213-L217 WeakPolarHBondContact O-CB 3.44Å; L213-L217 PolarHBondContact O-N 3.43Å; L214-L217 PolarHBondContact O-N 2.67Å; G215-L217 VanDerWaalsContact C-N 3.35Å; G215-L217 PolarHBondContact O-N 3.04Å; L217-A220 PolarHBondContact O-N 3.22Å; L217-A221 VanDerWaalsContact O-CB 3.29Å; L217-A221 WeakPolarHBondContact O-CB 3.39Å; L217-A221 PolarHBondContact O-N 3.46Å; L217-L276 HydrophobicContact CD1-CB 3.99Å; L217-T277 HydrophobicContact CD1-CG2 3.51Å; L217-T277 HydrophobicContact CG-CG2 4.24Å; L217-L280 HydrophobicContact CD2-CD1 4.32Å; L217-M314 HydrophobicContact CG-CE 4.18Å
218L97.4Very high93.3Very high64 Ų6421.1 Ų21.134%0.33513%0.125SC..Hα-helixtrans-64.8-42.7174.9-176.367000111.6L214 G215 A221 G222 L229L214-L218 PolarHBondContact O-N 3.44Å; G215-L218 PolarHBondContact O-N 2.9Å; L218-A221 PolarHBondContact O-N 3.13Å; L218-G222 PolarHBondContact O-N 3.12Å; L218-L229 HydrophobicContact CD1-CD1 4.4Å
219A97Very high94.4Very high0 Ų021.2 Ų21.20%012%0.124CC..Hα-helixtrans-59.2-47.7174.800000111.3W144 G178 F182 G215 L216 A221 G222 K223 L259W144-A219 HydrophobicContact CH2-CB 4.13Å; W144-A219 WeakPolarHBondContact CH2-O 3.36Å; W144-A219 HydrophobicContact CZ2-CB 3.85Å; W144-A219 VanDerWaalsContact CZ2-O 3.32Å; W144-A219 WeakPolarHBondContact CZ2-O 3.2Å; G178-A219 VanDerWaalsContact O-CA 3.3Å; G178-A219 WeakPolarHBondContact O-CA 3.37Å; G178-A219 WeakPolarHBondContact O-CB 3.33Å; F182-A219 HydrophobicContact CB-CB 3.95Å; F182-A219 HydrophobicContact CD2-CB 4.29Å; G215-A219 WeakPolarHBondContact O-CB 3.29Å; G215-A219 PolarHBondContact O-N 3.29Å; L216-A219 PolarHBondContact O-N 2.77Å; A219-A221 PolarHBondContact O-N 3.48Å; A219-G222 PolarHBondContact O-N 3.09Å; A219-K223 PolarHBondContact O-N 2.67Å; A219-L259 HydrophobicContact CB-CD1 4.41Å
220A96.4Very high95.1Very high0 Ų019.8 Ų19.80%011%0.113CC..Hα-helixtrans-61.4-42.9175.400000111.7L216 L217 G222 S224 G256 L260L216-A220 VanDerWaalsContact O-CB 3.32Å; L216-A220 WeakPolarHBondContact O-CB 3.49Å; L216-A220 PolarHBondContact O-N 3.49Å; L217-A220 PolarHBondContact O-N 3.22Å; A220-G222 VanDerWaalsContact C-N 3.32Å; A220-G222 PolarHBondContact O-N 2.98Å; A220-S224 VanDerWaalsContact O-CB 3.28Å; A220-S224 WeakPolarHBondContact O-CB 3.23Å; A220-S224 PolarHBondContact O-N 3.01Å; A220-S224 PolarHBondContact O-OG 3.39Å; A220-G256 VanDerWaalsContact CB-O 3.25Å; A220-G256 WeakPolarHBondContact CB-O 3.31Å; A220-L260 HydrophobicContact CB-CD1 3.45Å; A220-L260 VanDerWaalsContact CB-CD1 3.45Å; A220-L260 HydrophobicContact CB-CD2 4.31Å; A220-L260 HydrophobicContact CB-CG 3.69Å
221A96.8Very high95.3Very high5 Ų516.8 Ų16.84%0.04110%0.098CC..Hα-helixtrans-60.8-39.9179.100000112.5L217 L218 A219 A225 Q226 L229L217-A221 VanDerWaalsContact O-CB 3.29Å; L217-A221 WeakPolarHBondContact O-CB 3.39Å; L217-A221 PolarHBondContact O-N 3.46Å; L218-A221 PolarHBondContact O-N 3.13Å; A219-A221 PolarHBondContact O-N 3.48Å; A221-A225 PolarHBondContact O-N 2.92Å; A221-Q226 HydrophobicContact CB-CB 4.05Å; A221-Q226 HydrophobicContact CB-CG 4.36Å; A221-Q226 PolarHBondContact O-N 3.45Å; A221-L229 HydrophobicContact CB-CD1 4.4Å
222G95.4Very high95.5Very high0 Ų013.7 Ų13.70%08%0.078CC..Hα-helixtrans-64.3-60.1176.500000112.7L218 A219 A220 S224 A225 W232L218-G222 PolarHBondContact O-N 3.12Å; A219-G222 PolarHBondContact O-N 3.09Å; A220-G222 VanDerWaalsContact C-N 3.32Å; A220-G222 PolarHBondContact O-N 2.98Å; G222-S224 PolarHBondContact O-N 2.66Å; G222-A225 PolarHBondContact O-N 3.39Å; G222-W232 PolarHBondContact O-NE1 2.91Å; G222-W232 VanDerWaalsContact O-NE1 3.11Å
223K94.8Very high95.5Very high1 Ų113.6 Ų13.60%0.0048%0.078CC..Hα-helixtrans-70.2-30.4-176.8-73.2-71.9174.51680113.8W144 N175 A219 A225 W232 V253W144-K223 HydrophobicContact CD2-CG 4.06Å; W144-K223 VanDerWaalsContact CE2-CG 3.41Å; W144-K223 HydrophobicContact CE3-CG 4.3Å; W144-K223 HydrophobicContact CH2-CB 3.74Å; W144-K223 HydrophobicContact CH2-CG 3.39Å; W144-K223 HydrophobicContact CZ2-CB 3.89Å; W144-K223 HydrophobicContact CZ2-CD 4.22Å; W144-K223 HydrophobicContact CZ2-CG 3.08Å; W144-K223 HydrophobicContact CZ3-CB 4.35Å; W144-K223 HydrophobicContact CZ3-CG 4Å; W144-K223 VanDerWaalsContact NE1-CE 3.26Å; W144-K223 PolarHBondContact O-NZ 2.88Å; N175-K223 HydrophobicContact CB-CD 4.42Å; N175-K223 WeakPolarHBondContact OD1-CD 3.48Å; A219-K223 PolarHBondContact O-N 2.67Å; K223-A225 VanDerWaalsContact C-N 3.33Å; K223-W232 WeakPolarHBondContact O-CZ2 3.47Å; K223-V253 WeakPolarHBondContact O-CA 3.49Å; K223-V253 WeakPolarHBondContact O-CG1 3.36Å
224S94.8Very high95.5Very high0 Ų013.7 Ų13.70%08%0.079CC..THydrogen-bonded Turntrans-91.79.4179.970.60000114.5A220 G222 Q226 V253A220-S224 VanDerWaalsContact O-CB 3.28Å; A220-S224 WeakPolarHBondContact O-CB 3.23Å; A220-S224 PolarHBondContact O-N 3.01Å; A220-S224 PolarHBondContact O-OG 3.39Å; G222-S224 PolarHBondContact O-N 2.66Å; S224-Q226 PolarHBondContact O-N 3.31Å; S224-Q226 VanDerWaalsContact OG-CG 3.27Å; S224-Q226 WeakPolarHBondContact OG-CG 3.39Å; S224-Q226 PolarHBondContact OG-NE2 3.24Å; S224-V253 VanDerWaalsContact CA-O 3.32Å; S224-V253 WeakPolarHBondContact CA-O 3.37Å; S224-V253 VanDerWaalsContact CB-O 3.25Å; S224-V253 WeakPolarHBondContact CB-O 3.45Å
225A93.9Very high95.4Very high0 Ų011.8 Ų11.80%07%0.071CC..THydrogen-bonded Turntrans53.948.5176.700000113A221 G222 K223 H230 W232 L233 V253A221-A225 PolarHBondContact O-N 2.92Å; G222-A225 PolarHBondContact O-N 3.39Å; K223-A225 VanDerWaalsContact C-N 3.33Å; A225-H230 WeakPolarHBondContact O-CB 2.9Å; A225-W232 HydrophobicContact CB-CZ2 4.04Å; A225-L233 HydrophobicContact CB-CB 3.72Å; A225-L233 HydrophobicContact CB-CD1 3.56Å; A225-L233 HydrophobicContact CB-CG 4.28Å; A225-V253 HydrophobicContact CB-CG1 4.44Å
226Q96.9Very high95.3Very high0 Ų011.8 Ų11.80%07%0.071CC..  trans-79.3175.9176.1-55.7-69.3-21.100111.1A221 S224 L229 H230 L280 T284 L310A221-Q226 HydrophobicContact CB-CB 4.05Å; A221-Q226 HydrophobicContact CB-CG 4.36Å; A221-Q226 PolarHBondContact O-N 3.45Å; S224-Q226 PolarHBondContact O-N 3.31Å; S224-Q226 VanDerWaalsContact OG-CG 3.27Å; S224-Q226 WeakPolarHBondContact OG-CG 3.39Å; S224-Q226 PolarHBondContact OG-NE2 3.24Å; Q226-L229 CarbonylContact O-C 3.57Å; Q226-L229 WeakPolarHBondContact O-CA 2.9Å; Q226-L229 PolarHBondContact O-N 2.92Å; Q226-H230 WeakPolarHBondContact O-CA 3.29Å; Q226-H230 WeakPolarHBondContact O-CB 3.42Å; Q226-H230 PolarHBondContact O-N 2.96Å; Q226-L280 HydrophobicContact CB-CD2 3.51Å; Q226-L280 HydrophobicContact CB-CG 4.25Å; Q226-L280 HydrophobicContact CG-CD2 3.6Å; Q226-T284 HydrophobicContact CB-CG2 3.88Å; Q226-T284 VanDerWaalsContact OE1-CG2 3.26Å; Q226-T284 PolarHBondContact OE1-OG1 3.02Å; Q226-L310 PolarHBondContact NE2-O 3.04Å
227L95.2Very high95.2Very high66 Ų6611.9 Ų11.935%0.3467%0.071SC..THydrogen-bonded Turntrans-62.3144.6-170.6-160.883.4000109.2L229 I283 T284 F287L227-L229 PolarHBondContact O-N 3.4Å; L227-I283 HydrophobicContact CD1-CG2 4.15Å; L227-I283 HydrophobicContact CD2-CB 4.3Å; L227-I283 HydrophobicContact CD2-CG2 3.42Å; L227-I283 VanDerWaalsContact CD2-CG2 3.42Å; L227-I283 HydrophobicContact CG-CG2 4.28Å; L227-T284 HydrophobicContact CB-CG2 3.54Å; L227-F287 HydrophobicContact CD1-CB 3.8Å; L227-F287 HydrophobicContact CD1-CD1 3.87Å; L227-F287 HydrophobicContact CD1-CD2 4.28Å; L227-F287 HydrophobicContact CD1-CG 3.69Å
228G94.5Very high95Very high23 Ų2314.1 Ų14.124%0.2378%0.081CC..THydrogen-bonded Turntrans83.7-43.2-167.200000113.2H230 Y529G228-H230 PolarHBondContact N-ND1 3.16Å; G228-Y529 PolarHBondContact O-OH 2.97Å
229L95.9Very high94.8Very high21 Ų2111.1 Ų11.111%0.117%0.066CC..SBendtrans-112.319-178.9-51.2176.5000113.2Y174 I177 L218 A221 Q226 L227 W232Y174-L229 HydrophobicContact CD1-CB 3.76Å; Y174-L229 HydrophobicContact CD1-CD2 3.5Å; Y174-L229 HydrophobicContact CD1-CG 4.19Å; Y174-L229 HydrophobicContact CE1-CB 4.33Å; Y174-L229 HydrophobicContact CE1-CD2 3.83Å; I177-L229 HydrophobicContact CB-CD2 4.42Å; I177-L229 HydrophobicContact CD1-CD2 4.06Å; I177-L229 HydrophobicContact CG2-CD1 4.01Å; I177-L229 HydrophobicContact CG2-CD2 3.98Å; L218-L229 HydrophobicContact CD1-CD1 4.4Å; A221-L229 HydrophobicContact CB-CD1 4.4Å; Q226-L229 CarbonylContact O-C 3.57Å; Q226-L229 WeakPolarHBondContact O-CA 2.9Å; Q226-L229 PolarHBondContact O-N 2.92Å; L227-L229 PolarHBondContact O-N 3.4Å; L229-W232 PolarHBondContact O-NE1 3.44Å
230H95.3Very high94.7Very high7 Ų711.1 Ų11.13%0.0327%0.066CC..  trans-78.9-28.2-176.766.1-81.2000116.9A225 Q226 G228 W232 L233 P234 F287 Y529A225-H230 WeakPolarHBondContact O-CB 2.9Å; Q226-H230 WeakPolarHBondContact O-CA 3.29Å; Q226-H230 WeakPolarHBondContact O-CB 3.42Å; Q226-H230 PolarHBondContact O-N 2.96Å; G228-H230 PolarHBondContact N-ND1 3.16Å; H230-W232 PolarHBondContact O-N 3.38Å; H230-L233 PolarHBondContact O-N 3.34Å; H230-P234 VanDerWaalsContact O-CD 3.28Å; H230-P234 WeakPolarHBondContact O-CD 3.19Å; H230-F287 AromaticContact CD2-CE1 3.55Å; H230-F287 AromaticContact CE1-CE1 3.76Å; H230-F287 AromaticContact NE2-CE1 3.2Å; H230-F287 WeakPolarHBondContact NE2-CE1 3.42Å; H230-F287 AromaticContact NE2-CZ 3.73Å; H230-Y529 AromaticContact CE1-CD1 3.64Å; H230-Y529 AromaticContact CE1-CG 3.78Å; H230-Y529 AromaticContact NE2-CD1 3.94Å
231P95.4Very high94.6Very high6 Ų611.2 Ų11.24%0.0397%0.066CC..THydrogen-bonded Turntrans-65-17-166.7-27.436.9000116.2Q170 L233 P234 S235 Y529 P530Q170-P231 PolarHBondContact NE2-O 2.53Å; Q170-P231 VanDerWaalsContact NE2-O 3.07Å; P231-L233 VanDerWaalsContact C-N 3.31Å; P231-P234 WeakPolarHBondContact O-CD 3.08Å; P231-S235 PolarHBondContact O-OG 2.92Å; P231-Y529 HydrophobicContact CG-CD1 3.42Å; P231-Y529 VanDerWaalsContact CG-CD1 3.42Å; P231-Y529 HydrophobicContact CG-CE1 3.51Å; P231-P530 HydrophobicContact CB-CG 4.25Å; P231-P530 HydrophobicContact CG-CG 4.43Å
232W95.1Very high94.5Very high0 Ų011 Ų110%06%0.064CC..Hα-helixtrans-72.2-26.5-179.171.3-95.8000113Q170 A171 Y174 G222 K223 A225 L229 H230 S235 A236 M252 V253Q170-W232 HydrophobicContact CG-CB 4.31Å; A171-W232 HydrophobicContact CB-CB 4.29Å; A171-W232 HydrophobicContact CB-CD2 4.43Å; A171-W232 HydrophobicContact CB-CE3 3.89Å; Y174-W232 VanDerWaalsContact CB-CD1 3.5Å; Y174-W232 HydrophobicContact CD2-CB 3.68Å; Y174-W232 HydrophobicContact CD2-CG 4.25Å; Y174-W232 HydrophobicContact CE2-CB 4.37Å; Y174-W232 HydrophobicContact CG-CB 4.28Å; Y174-W232 AromaticContact CG-CD1 3.79Å; Y174-W232 HydrophobicContact CG-CG 4.37Å; G222-W232 PolarHBondContact O-NE1 2.91Å; G222-W232 VanDerWaalsContact O-NE1 3.11Å; K223-W232 WeakPolarHBondContact O-CZ2 3.47Å; A225-W232 HydrophobicContact CB-CZ2 4.04Å; L229-W232 PolarHBondContact O-NE1 3.44Å; H230-W232 PolarHBondContact O-N 3.38Å; W232-S235 WeakPolarHBondContact CA-OG 3.36Å; W232-S235 PolarHBondContact O-N 3.29Å; W232-S235 PolarHBondContact O-OG 3.4Å; W232-S235 VanDerWaalsContact O-OG 3.11Å; W232-A236 HydrophobicContact CE3-CB 4.47Å; W232-A236 WeakPolarHBondContact O-CB 3.38Å; W232-A236 PolarHBondContact O-N 2.9Å; W232-M252 HydrophobicContact CE3-CE 4.49Å; W232-M252 HydrophobicContact CH2-CE 3.52Å; W232-M252 HydrophobicContact CH2-CG 4.27Å; W232-M252 HydrophobicContact CH2-SD 3.8Å; W232-M252 HydrophobicContact CZ2-CE 4.34Å; W232-M252 HydrophobicContact CZ3-CE 3.61Å; W232-M252 HydrophobicContact CZ3-SD 3.85Å; W232-V253 HydrophobicContact CH2-CG2 3.97Å
233L93.9Very high94.5Very high0 Ų011.1 Ų11.10%07%0.065CC..Hα-helixtrans-70.2-46.1-177.2-169.2167.6000111.2A225 H230 P231 S235 A236 M237 V253 A303 L310A225-L233 HydrophobicContact CB-CB 3.72Å; A225-L233 HydrophobicContact CB-CD1 3.56Å; A225-L233 HydrophobicContact CB-CG 4.28Å; H230-L233 PolarHBondContact O-N 3.34Å; P231-L233 VanDerWaalsContact C-N 3.31Å; L233-S235 PolarHBondContact O-N 3.43Å; L233-A236 WeakPolarHBondContact O-CB 3.43Å; L233-A236 PolarHBondContact O-N 3.26Å; L233-M237 HydrophobicContact CD2-CE 4.28Å; L233-M237 WeakPolarHBondContact O-CE 3.3Å; L233-V253 HydrophobicContact CD1-CG1 3.73Å; L233-V253 HydrophobicContact CD1-CG2 3.98Å; L233-A303 HydrophobicContact CD2-CB 3.57Å; L233-A303 WeakPolarHBondContact CD2-O 3.35Å; L233-L310 HydrophobicContact CD1-CD1 4.37Å
234P93.6Very high94.3Very high7 Ų711.1 Ų11.15%0.0457%0.065CC..Hα-helixtrans-62.9-35.6172.1-24.534.7000114.2H230 P231 M237 F304H230-P234 VanDerWaalsContact O-CD 3.28Å; H230-P234 WeakPolarHBondContact O-CD 3.19Å; P231-P234 WeakPolarHBondContact O-CD 3.08Å; P234-M237 WeakPolarHBondContact O-CB 3.42Å; P234-M237 WeakPolarHBondContact O-CG 3.36Å; P234-M237 PolarHBondContact O-N 3.26Å; P234-F304 HydrophobicContact CB-CE1 4.29Å; P234-F304 HydrophobicContact CB-CE2 4.03Å; P234-F304 HydrophobicContact CB-CZ 3.64Å; P234-F304 HydrophobicContact CG-CD1 4.13Å; P234-F304 HydrophobicContact CG-CE1 3.32Å; P234-F304 HydrophobicContact CG-CE2 3.92Å; P234-F304 HydrophobicContact CG-CZ 3.16Å
235S93.1Very high94.2Very high25 Ų2511.1 Ų11.118%0.1757%0.065CC..Hα-helixtrans-74.9-26.9178.659.70000112.9A167 Q170 P231 W232 L233 M237 E238A167-S235 WeakPolarHBondContact CB-O 3.38Å; Q170-S235 VanDerWaalsContact CD-OG 3.32Å; Q170-S235 PolarHBondContact NE2-OG 3.44Å; Q170-S235 PolarHBondContact OE1-OG 3Å; P231-S235 PolarHBondContact O-OG 2.92Å; W232-S235 WeakPolarHBondContact CA-OG 3.36Å; W232-S235 PolarHBondContact O-N 3.29Å; W232-S235 PolarHBondContact O-OG 3.4Å; W232-S235 VanDerWaalsContact O-OG 3.11Å; L233-S235 PolarHBondContact O-N 3.43Å; S235-M237 PolarHBondContact O-N 3.5Å; S235-E238 PolarHBondContact O-N 3.01Å; S235-E238 VanDerWaalsContact O-N 3.14Å
236A93.1Very high94.1Very high2 Ų211.1 Ų11.12%0.0177%0.066CC..G310 helixtrans-59.5-13.1172.300000113.8I155 W232 L233 E238 G239I155-A236 HydrophobicContact CD1-CB 3.74Å; I155-A236 HydrophobicContact CG1-CB 4.19Å; W232-A236 HydrophobicContact CE3-CB 4.47Å; W232-A236 WeakPolarHBondContact O-CB 3.38Å; W232-A236 PolarHBondContact O-N 2.9Å; L233-A236 WeakPolarHBondContact O-CB 3.43Å; L233-A236 PolarHBondContact O-N 3.26Å; A236-E238 PolarHBondContact O-N 2.89Å; A236-G239 PolarHBondContact O-N 3.49Å; A236-G239 VanDerWaalsContact O-N 3.15Å
237M94.4Very high93.6Very high4 Ų411.2 Ų11.22%0.027%0.066CC..G310 helixtrans-67.9-6.4173.8-60.5-57.9122.700114.2L233 P234 S235 G239 H248 K299 K300 A303 F340L233-M237 HydrophobicContact CD2-CE 4.28Å; L233-M237 WeakPolarHBondContact O-CE 3.3Å; P234-M237 WeakPolarHBondContact O-CB 3.42Å; P234-M237 WeakPolarHBondContact O-CG 3.36Å; P234-M237 PolarHBondContact O-N 3.26Å; S235-M237 PolarHBondContact O-N 3.5Å; M237-G239 PolarHBondContact O-N 2.93Å; M237-H248 WeakPolarHBondContact CE-CD2 3.49Å; M237-H248 WeakPolarHBondContact CE-NE2 3.43Å; M237-K299 HydrophobicContact CB-CB 4.11Å; M237-K299 HydrophobicContact CG-CB 4.07Å; M237-K299 WeakPolarHBondContact O-CE 3.35Å; M237-K299 PolarHBondContact O-NZ 2.88Å; M237-K299 HydrophobicContact SD-CB 3.89Å; M237-K300 HydrophobicContact CB-CG 4.49Å; M237-K300 HydrophobicContact CG-CG 4.34Å; M237-A303 HydrophobicContact CE-CB 3.51Å; M237-A303 HydrophobicContact CG-CB 3.89Å; M237-A303 HydrophobicContact SD-CB 3.87Å; M237-F340 HydrophobicContact CE-CE1 4.45Å; M237-F340 HydrophobicContact CE-CZ 4.3Å; M237-F340 HydrophobicContact SD-CE1 3.82Å; M237-F340 HydrophobicContact SD-CZ 4.22Å
238E92.3Very high92.8Very high65 Ų658.2 Ų8.230%0.3045%0.05SC..G310 helixtrans-67.8-24.5168.3-69.6-55.5144.800112.7D163 A164 S235 A236D163-E238 HydrophobicContact CB-CG 4.45Å; A164-E238 HydrophobicContact CB-CB 4.37Å; S235-E238 PolarHBondContact O-N 3.01Å; S235-E238 VanDerWaalsContact O-N 3.14Å; A236-E238 PolarHBondContact O-N 2.89Å
239G92.9Very high91.9Very high1 Ų17.1 Ų7.11%0.014%0.039CC..SBendtrans-66.2161.5174.800000113A236 M237 K299A236-G239 PolarHBondContact O-N 3.49Å; A236-G239 VanDerWaalsContact O-N 3.15Å; M237-G239 PolarHBondContact O-N 2.93Å; G239-K299 PolarHBondContact O-NZ 3.4Å
240P94.8Very high90.9Very high1 Ų16.1 Ų6.11%0.0063%0.034CC..  trans-62.6152.6-179.527-34000111.8Y107 M108 F117 W157 W158 P242 V243 S244Y107-P240 HydrophobicContact CE1-CB 4.37Å; M108-P240 HydrophobicContact SD-CB 4.21Å; F117-P240 HydrophobicContact CE2-CG 3.83Å; F117-P240 HydrophobicContact CZ-CG 4.44Å; W157-P240 HydrophobicContact CB-CG 4.35Å; W158-P240 HydrophobicContact CH2-CB 4.13Å; W158-P240 HydrophobicContact CZ2-CB 4.47Å; P240-P242 VanDerWaalsContact C-CD 3.41Å; P240-V243 HydrophobicContact CG-CB 4.11Å; P240-V243 HydrophobicContact CG-CG2 3.68Å; P240-V243 WeakPolarHBondContact O-CB 3.4Å; P240-V243 PolarHBondContact O-N 3.06Å; P240-V243 VanDerWaalsContact O-N 3.09Å; P240-S244 PolarHBondContact O-N 3.47Å; P240-S244 VanDerWaalsContact O-N 3.12Å
241T94.4Very high90.4Very high1 Ų15.8 Ų5.81%0.0063%0.032CC..Hα-helixtrans-60.4-36.5-172.2600000114.6Y107 V243 S244 A245 K299 I347Y107-T241 WeakPolarHBondContact CD2-OG1 3.28Å; Y107-T241 HydrophobicContact CE2-CG2 4.14Å; Y107-T241 WeakPolarHBondContact CE2-OG1 3.47Å; T241-V243 VanDerWaalsContact C-N 3.28Å; T241-V243 PolarHBondContact O-N 2.97Å; T241-S244 WeakPolarHBondContact CA-OG 3.19Å; T241-S244 PolarHBondContact O-N 3.44Å; T241-S244 PolarHBondContact O-OG 3.34Å; T241-A245 WeakPolarHBondContact O-CB 3.38Å; T241-A245 PolarHBondContact O-N 3.16Å; T241-K299 HydrophobicContact CG2-CD 3.95Å; T241-I347 HydrophobicContact CG2-CD1 4.04Å
242P95.2Very high90.2Very high0 Ų05.5 Ų5.50%03%0.03CC..Hα-helixtrans-64.1-34.1176.4-16.930.3000112.3I100 F103 Y107 F117 P240 A245 L246I100-P242 HydrophobicContact CG2-CB 3.89Å; I100-P242 WeakPolarHBondContact CG2-O 3.01Å; F103-P242 HydrophobicContact CD1-CB 4.21Å; F103-P242 HydrophobicContact CD1-CG 3.91Å; F103-P242 HydrophobicContact CE1-CG 3.89Å; Y107-P242 HydrophobicContact CD1-CG 3.84Å; Y107-P242 HydrophobicContact CG-CG 4.13Å; F117-P242 HydrophobicContact CE1-CB 4.46Å; F117-P242 HydrophobicContact CZ-CB 4.18Å; F117-P242 HydrophobicContact CZ-CG 4.44Å; P240-P242 VanDerWaalsContact C-CD 3.41Å; P242-A245 PolarHBondContact O-N 3.03Å; P242-L246 WeakPolarHBondContact O-CB 3.32Å; P242-L246 PolarHBondContact O-N 3Å; P242-L246 VanDerWaalsContact O-N 3.08Å
243V94.2Very high90.2Very high3 Ų35.6 Ų5.62%0.0183%0.031CC..Hα-helixtrans-65.7-49.9174.8170.30000109.8F117 L154 P240 T241 A245 L246 L247F117-V243 HydrophobicContact CE2-CG2 3.5Å; F117-V243 HydrophobicContact CZ-CG2 3.68Å; L154-V243 HydrophobicContact CB-CB 4.4Å; L154-V243 HydrophobicContact CB-CG1 3.6Å; L154-V243 HydrophobicContact CB-CG2 3.85Å; L154-V243 HydrophobicContact CD1-CG1 4.44Å; L154-V243 HydrophobicContact CD1-CG2 4.38Å; L154-V243 HydrophobicContact CD2-CG2 3.89Å; L154-V243 HydrophobicContact CG-CG2 4.26Å; P240-V243 HydrophobicContact CG-CB 4.11Å; P240-V243 HydrophobicContact CG-CG2 3.68Å; P240-V243 WeakPolarHBondContact O-CB 3.4Å; P240-V243 PolarHBondContact O-N 3.06Å; P240-V243 VanDerWaalsContact O-N 3.09Å; T241-V243 VanDerWaalsContact C-N 3.28Å; T241-V243 PolarHBondContact O-N 2.97Å; V243-A245 VanDerWaalsContact C-N 3.26Å; V243-A245 PolarHBondContact O-N 2.74Å; V243-L246 PolarHBondContact O-N 3.36Å; V243-L247 HydrophobicContact CG1-CD1 3.43Å; V243-L247 VanDerWaalsContact CG1-CD1 3.43Å; V243-L247 HydrophobicContact CG1-CG 3.83Å; V243-L247 WeakPolarHBondContact O-CB 3.34Å; V243-L247 WeakPolarHBondContact O-CG 3.45Å; V243-L247 PolarHBondContact O-N 2.87Å
244S92.4Very high90.2Very high1 Ų15.6 Ų5.61%0.0073%0.031CC..Hα-helixtrans-60.5-38.2177.959.40000112.1P240 T241 L246 H248P240-S244 PolarHBondContact O-N 3.47Å; P240-S244 VanDerWaalsContact O-N 3.12Å; T241-S244 WeakPolarHBondContact CA-OG 3.19Å; T241-S244 PolarHBondContact O-N 3.44Å; T241-S244 PolarHBondContact O-OG 3.34Å; S244-L246 VanDerWaalsContact C-N 3.27Å; S244-L246 PolarHBondContact O-N 3.2Å; S244-H248 WeakPolarHBondContact O-CB 3.28Å; S244-H248 PolarHBondContact O-CD2 3.34Å; S244-H248 PolarHBondContact O-N 2.91Å; S244-H248 VanDerWaalsContact O-N 3.14Å
245A92.1Very high90.2Very high0 Ų05.3 Ų5.30%03%0.029CC..Hα-helixtrans-59.4-40.7175.300000111.2I100 T241 P242 V243 S249 F340I100-A245 HydrophobicContact CD1-CB 4.01Å; I100-A245 HydrophobicContact CG1-CB 4.25Å; T241-A245 WeakPolarHBondContact O-CB 3.38Å; T241-A245 PolarHBondContact O-N 3.16Å; P242-A245 PolarHBondContact O-N 3.03Å; V243-A245 VanDerWaalsContact C-N 3.26Å; V243-A245 PolarHBondContact O-N 2.74Å; A245-S249 WeakPolarHBondContact O-CB 3.38Å; A245-S249 PolarHBondContact O-N 3.1Å; A245-S249 PolarHBondContact O-OG 2.88Å; A245-F340 HydrophobicContact CB-CB 3.52Å; A245-F340 HydrophobicContact CB-CG 4.31Å
246L92.1Very high90.2Very high1 Ų14.1 Ų4.11%0.0052%0.021CC..Hα-helixtrans-79.5-50.5-176.1-163.3149000112.7T97 I100 L121 F124 P242 V243 S244 H248 T251T97-L246 HydrophobicContact CG2-CD1 3.57Å; T97-L246 HydrophobicContact CG2-CG 4.1Å; I100-L246 VanDerWaalsContact CD1-CA 3.49Å; I100-L246 HydrophobicContact CD1-CB 3.63Å; I100-L246 HydrophobicContact CD1-CD1 4.19Å; I100-L246 HydrophobicContact CD1-CG 4Å; I100-L246 HydrophobicContact CG2-CB 4.39Å; I100-L246 HydrophobicContact CG2-CD1 4.29Å; L121-L246 HydrophobicContact CD1-CD1 4.12Å; L121-L246 HydrophobicContact CD2-CD1 3.16Å; L121-L246 HydrophobicContact CG-CD1 3.69Å; F124-L246 HydrophobicContact CD1-CD2 3.17Å; F124-L246 HydrophobicContact CE1-CD2 3.02Å; F124-L246 HydrophobicContact CG-CD2 4.23Å; F124-L246 HydrophobicContact CZ-CD2 3.96Å; P242-L246 WeakPolarHBondContact O-CB 3.32Å; P242-L246 PolarHBondContact O-N 3Å; P242-L246 VanDerWaalsContact O-N 3.08Å; V243-L246 PolarHBondContact O-N 3.36Å; S244-L246 VanDerWaalsContact C-N 3.27Å; S244-L246 PolarHBondContact O-N 3.2Å; L246-H248 PolarHBondContact O-N 2.97Å; L246-T251 HydrophobicContact CD2-CG2 4Å; L246-T251 WeakPolarHBondContact CD2-OG1 3.36Å; L246-T251 PolarHBondContact O-OG1 3Å
247L86.9Confident90.4Very high2 Ų24 Ų41%0.012%0.02CC..Hα-helixtrans-61.6-42.8-176.8-66.4-175.8000111.7F124 I155 V243 M252 V253F124-L247 HydrophobicContact CD2-CD2 3.79Å; F124-L247 HydrophobicContact CE1-CD2 4.13Å; F124-L247 HydrophobicContact CE2-CD2 3.09Å; F124-L247 HydrophobicContact CZ-CD2 3.32Å; I155-L247 HydrophobicContact CG1-CD1 4.29Å; V243-L247 HydrophobicContact CG1-CD1 3.43Å; V243-L247 VanDerWaalsContact CG1-CD1 3.43Å; V243-L247 HydrophobicContact CG1-CG 3.83Å; V243-L247 WeakPolarHBondContact O-CB 3.34Å; V243-L247 WeakPolarHBondContact O-CG 3.45Å; V243-L247 PolarHBondContact O-N 2.87Å; L247-M252 HydrophobicContact CB-CB 4.43Å; L247-M252 HydrophobicContact CD2-CB 4.12Å; L247-M252 HydrophobicContact CD2-SD 4.27Å; L247-M252 PolarHBondContact O-N 3.41Å; L247-V253 PolarHBondContact O-N 3.44Å
248H78.3Confident90.5Very high2 Ų23.9 Ų3.91%0.0092%0.019CC..Hα-helixtrans-98.4-7.9-169.7-54.7-65.6000114.8M237 S244 L246 T306 F340M237-H248 WeakPolarHBondContact CE-CD2 3.49Å; M237-H248 WeakPolarHBondContact CE-NE2 3.43Å; S244-H248 WeakPolarHBondContact O-CB 3.28Å; S244-H248 PolarHBondContact O-CD2 3.34Å; S244-H248 PolarHBondContact O-N 2.91Å; S244-H248 VanDerWaalsContact O-N 3.14Å; L246-H248 PolarHBondContact O-N 2.97Å; H248-T306 HydrophobicContact CB-CG2 4.35Å; H248-T306 WeakPolarHBondContact O-CG2 3.39Å; H248-F340 HydrophobicContact CB-CE2 3.81Å; H248-F340 HydrophobicContact CB-CZ 4.06Å
249S75.5Confident90.6Very high0 Ų00.9 Ų0.90%01%0.005CC..Hα-helixtrans-91.5-56.417663.70000112.6A245 H332A245-S249 WeakPolarHBondContact O-CB 3.38Å; A245-S249 PolarHBondContact O-N 3.1Å; A245-S249 PolarHBondContact O-OG 2.88Å; S249-H332 PolarHBondContact O-ND1 3.13Å
250S73.1Confident90.7Very high0 Ų01.4 Ų1.40%01%0.008CC..THydrogen-bonded Turntrans-122-25.2-159.644.90000113.2F89F89-S250 WeakPolarHBondContact CE2-O 3.32Å; F89-S250 WeakPolarHBondContact CZ-O 3.31Å
251T85.9Confident90.7Very high0 Ų01.4 Ų1.40%01%0.008CC..SBendtrans-118.6-83.8-15956.90000114.6F124 M128 L246 V253 V254 A255F124-T251 VanDerWaalsContact CE1-CB 3.41Å; F124-T251 HydrophobicContact CE1-CG2 3.81Å; F124-T251 WeakPolarHBondContact CE1-OG1 3.45Å; F124-T251 WeakPolarHBondContact CZ-OG1 3.47Å; M128-T251 HydrophobicContact CB-CG2 4.42Å; M128-T251 WeakPolarHBondContact CE-O 3.43Å; M128-T251 HydrophobicContact CG-CG2 3.84Å; L246-T251 HydrophobicContact CD2-CG2 4Å; L246-T251 WeakPolarHBondContact CD2-OG1 3.36Å; L246-T251 PolarHBondContact O-OG1 3Å; T251-V253 PolarHBondContact O-N 2.91Å; T251-V254 PolarHBondContact O-N 3.25Å; T251-A255 PolarHBondContact O-N 3.19Å
252M91.8Very high90.7Very high0 Ų02.7 Ų2.70%01%0.012CC..THydrogen-bonded Turntrans-61.6-50.7-166.2176.8-177.6-176.200112.4F124 V147 S151 N175 W232 L247 V254 A255F124-M252 HydrophobicContact CE2-CB 4.37Å; F124-M252 HydrophobicContact CZ-CB 4.06Å; V147-M252 HydrophobicContact CG1-CB 3.77Å; V147-M252 HydrophobicContact CG1-CG 3.79Å; S151-M252 WeakPolarHBondContact CB-SD 3.39Å; S151-M252 VanDerWaalsContact OG-CE 3.26Å; S151-M252 WeakPolarHBondContact OG-CE 3.43Å; N175-M252 WeakPolarHBondContact ND2-CE 3.31Å; W232-M252 HydrophobicContact CE3-CE 4.49Å; W232-M252 HydrophobicContact CH2-CE 3.52Å; W232-M252 HydrophobicContact CH2-CG 4.27Å; W232-M252 HydrophobicContact CH2-SD 3.8Å; W232-M252 HydrophobicContact CZ2-CE 4.34Å; W232-M252 HydrophobicContact CZ3-CE 3.61Å; W232-M252 HydrophobicContact CZ3-SD 3.85Å; L247-M252 HydrophobicContact CB-CB 4.43Å; L247-M252 HydrophobicContact CD2-CB 4.12Å; L247-M252 HydrophobicContact CD2-SD 4.27Å; L247-M252 PolarHBondContact O-N 3.41Å; M252-V254 VanDerWaalsContact C-N 3.27Å; M252-V254 PolarHBondContact O-N 2.89Å; M252-A255 WeakPolarHBondContact O-CB 3.1Å; M252-A255 PolarHBondContact O-N 3.04Å
253V94Very high90.5Very high2 Ų23.1 Ų3.11%0.0121%0.014CC..THydrogen-bonded Turntrans-74.5-26.2-171.5-159.50000111.8K223 S224 A225 W232 L233 L247 T251 A255 L310K223-V253 WeakPolarHBondContact O-CA 3.49Å; K223-V253 WeakPolarHBondContact O-CG1 3.36Å; S224-V253 VanDerWaalsContact CA-O 3.32Å; S224-V253 WeakPolarHBondContact CA-O 3.37Å; S224-V253 VanDerWaalsContact CB-O 3.25Å; S224-V253 WeakPolarHBondContact CB-O 3.45Å; A225-V253 HydrophobicContact CB-CG1 4.44Å; W232-V253 HydrophobicContact CH2-CG2 3.97Å; L233-V253 HydrophobicContact CD1-CG1 3.73Å; L233-V253 HydrophobicContact CD1-CG2 3.98Å; L247-V253 PolarHBondContact O-N 3.44Å; T251-V253 PolarHBondContact O-N 2.91Å; V253-A255 VanDerWaalsContact C-N 3.34Å; V253-L310 HydrophobicContact CB-CD1 3.83Å; V253-L310 HydrophobicContact CB-CD2 4.5Å; V253-L310 HydrophobicContact CG1-CD1 3.1Å; V253-L310 HydrophobicContact CG1-CD2 4.25Å; V253-L310 HydrophobicContact CG1-CG 4.28Å
254V94Very high90.3Very high1 Ų14.1 Ų4.11%0.0062%0.019CC..Hα-helixtrans-72.9-28.2176.7170.90000111.7F89 T251 M252 G256 I257 F258 L310 I329F89-V254 HydrophobicContact CE2-CG1 4.33Å; T251-V254 PolarHBondContact O-N 3.25Å; M252-V254 VanDerWaalsContact C-N 3.27Å; M252-V254 PolarHBondContact O-N 2.89Å; V254-G256 PolarHBondContact O-N 2.94Å; V254-G256 VanDerWaalsContact O-N 3.13Å; V254-I257 PolarHBondContact O-N 2.92Å; V254-F258 WeakPolarHBondContact O-CB 3.14Å; V254-F258 PolarHBondContact O-N 3.31Å; V254-L310 HydrophobicContact CG2-CD2 4.18Å; V254-I329 HydrophobicContact CB-CG2 4.47Å; V254-I329 HydrophobicContact CG1-CB 4.21Å; V254-I329 HydrophobicContact CG1-CD1 3.69Å; V254-I329 HydrophobicContact CG1-CG1 3.82Å; V254-I329 HydrophobicContact CG1-CG2 3.35Å; V254-I329 HydrophobicContact CG2-CG2 4.31Å
255A93.8Very high90.1Very high1 Ų17.3 Ų7.31%0.0084%0.04CC..Hα-helixtrans-54.2-36.6-175.600000113.6M128 L131 W144 T251 M252 V253 F258 L259M128-A255 HydrophobicContact CE-CB 4.46Å; L131-A255 HydrophobicContact CD1-CB 3.77Å; L131-A255 HydrophobicContact CD2-CB 4.23Å; W144-A255 HydrophobicContact CE3-CB 4.45Å; W144-A255 HydrophobicContact CZ3-CB 4.34Å; T251-A255 PolarHBondContact O-N 3.19Å; M252-A255 WeakPolarHBondContact O-CB 3.1Å; M252-A255 PolarHBondContact O-N 3.04Å; V253-A255 VanDerWaalsContact C-N 3.34Å; A255-F258 PolarHBondContact O-N 2.91Å; A255-L259 WeakPolarHBondContact O-CB 3.37Å; A255-L259 PolarHBondContact O-N 3.3Å
256G93.9Very high89.9Confident0 Ų07.5 Ų7.50%04%0.041CC..Hα-helixtrans-65.4-42.117700000113.6A220 V254 L259 L260A220-G256 VanDerWaalsContact CB-O 3.25Å; A220-G256 WeakPolarHBondContact CB-O 3.31Å; V254-G256 PolarHBondContact O-N 2.94Å; V254-G256 VanDerWaalsContact O-N 3.13Å; G256-L259 PolarHBondContact O-N 3.43Å; G256-L260 PolarHBondContact O-N 3.33Å
257I96.3Very high89.8Confident0 Ų08.1 Ų8.10%05%0.046CC..Hα-helixtrans-72.7-39.7177.2-65.4156000109.7V254 L259 L260 I261 L310 M313 I317 I329V254-I257 PolarHBondContact O-N 2.92Å; I257-L259 VanDerWaalsContact C-N 3.28Å; I257-L259 PolarHBondContact O-N 3.07Å; I257-L260 PolarHBondContact O-N 3.18Å; I257-L260 VanDerWaalsContact O-N 3.11Å; I257-I261 HydrophobicContact CG2-CD1 3.9Å; I257-I261 WeakPolarHBondContact O-CG1 3.22Å; I257-I261 PolarHBondContact O-N 2.97Å; I257-L310 HydrophobicContact CD1-CB 3.78Å; I257-L310 HydrophobicContact CD1-CD2 3.32Å; I257-L310 HydrophobicContact CD1-CG 4.13Å; I257-L310 WeakPolarHBondContact CD1-O 3.28Å; I257-M313 HydrophobicContact CD1-CB 3.86Å; I257-M313 HydrophobicContact CD1-SD 3.89Å; I257-M313 HydrophobicContact CG1-CB 4.5Å; I257-M313 HydrophobicContact CG2-CB 3.88Å; I257-I317 HydrophobicContact CG2-CD1 3.58Å; I257-I329 HydrophobicContact CB-CD1 4.44Å; I257-I329 HydrophobicContact CG2-CD1 3.85Å
258F96Very high89.9Confident1 Ų112.3 Ų12.30%0.0047%0.065CC..Hα-helixtrans-57.9-41.3174.5-176.5-94.8000112F85 L131 V132 V254 A255 L260 I261 R262 F326F85-F258 HydrophobicContact CB-CE2 3.89Å; F85-F258 HydrophobicContact CB-CZ 4.29Å; L131-F258 HydrophobicContact CD2-CD1 3.9Å; L131-F258 HydrophobicContact CD2-CE1 4.28Å; V132-F258 HydrophobicContact CB-CE1 4.31Å; V132-F258 HydrophobicContact CB-CZ 4.05Å; V132-F258 HydrophobicContact CG1-CE1 4.41Å; V132-F258 HydrophobicContact CG1-CE2 4.12Å; V132-F258 HydrophobicContact CG1-CZ 3.67Å; V132-F258 HydrophobicContact CG2-CE1 4.29Å; V132-F258 HydrophobicContact CG2-CZ 4.19Å; V254-F258 WeakPolarHBondContact O-CB 3.14Å; V254-F258 PolarHBondContact O-N 3.31Å; A255-F258 PolarHBondContact O-N 2.91Å; F258-L260 PolarHBondContact O-N 3.27Å; F258-I261 WeakPolarHBondContact O-CB 3.35Å; F258-I261 PolarHBondContact O-N 2.91Å; F258-R262 HydrophobicContact CD1-CG 3.99Å; F258-R262 HydrophobicContact CE1-CG 3.69Å; F258-R262 VanDerWaalsContact CE1-NE 3.26Å; F258-R262 HydrophobicContact CZ-CG 4.18Å; F258-R262 VanDerWaalsContact O-CG 3.3Å; F258-R262 WeakPolarHBondContact O-CG 3.26Å; F258-R262 PolarHBondContact O-N 3.33Å; F258-F326 HydrophobicContact CD2-CD2 4.46Å; F258-F326 HydrophobicContact CD2-CE2 4.33Å; F258-F326 HydrophobicContact CE2-CE2 4.14Å
259L95.7Very high90.3Very high1 Ų116.4 Ų16.41%0.0059%0.087CC..Hα-helixtrans-58.1-45.7173.4172.7163.1000111.8W144 F182 L216 A219 A255 G256 I257 I261 R262 F263W144-L259 HydrophobicContact CE3-CD1 4.13Å; W144-L259 HydrophobicContact CH2-CD1 3.78Å; W144-L259 HydrophobicContact CZ3-CB 4.1Å; W144-L259 HydrophobicContact CZ3-CD1 3.54Å; W144-L259 HydrophobicContact CZ3-CG 4.5Å; F182-L259 HydrophobicContact CD2-CD1 3.49Å; F182-L259 VanDerWaalsContact CD2-CD1 3.49Å; F182-L259 HydrophobicContact CE2-CD1 3.36Å; L216-L259 HydrophobicContact CB-CD2 3.81Å; L216-L259 HydrophobicContact CD2-CD1 4.23Å; L216-L259 HydrophobicContact CD2-CD2 3.6Å; L216-L259 HydrophobicContact CD2-CG 4.19Å; L216-L259 HydrophobicContact CG-CD2 4.19Å; A219-L259 HydrophobicContact CB-CD1 4.41Å; A255-L259 WeakPolarHBondContact O-CB 3.37Å; A255-L259 PolarHBondContact O-N 3.3Å; G256-L259 PolarHBondContact O-N 3.43Å; I257-L259 VanDerWaalsContact C-N 3.28Å; I257-L259 PolarHBondContact O-N 3.07Å; L259-I261 VanDerWaalsContact C-N 3.35Å; L259-I261 PolarHBondContact O-N 3.29Å; L259-R262 WeakPolarHBondContact O-CB 3.3Å; L259-R262 PolarHBondContact O-N 3.03Å; L259-F263 HydrophobicContact CD2-CD2 4.2Å; L259-F263 HydrophobicContact CG-CD2 4.25Å; L259-F263 HydrophobicContact CG-CE2 4.38Å; L259-F263 WeakPolarHBondContact O-CD2 3.44Å; L259-F263 PolarHBondContact O-N 2.85Å; L259-F263 VanDerWaalsContact O-N 3.16Å
260L95.3Very high91Very high12 Ų1217 Ų176%0.0639%0.091CC..Hα-helixtrans-66.7-36.2177.2-68.8175.2000112.6L216 A220 G256 I257 F258 R262 F263 H264 M314 I317L216-L260 HydrophobicContact CB-CD2 4.19Å; A220-L260 HydrophobicContact CB-CD1 3.45Å; A220-L260 VanDerWaalsContact CB-CD1 3.45Å; A220-L260 HydrophobicContact CB-CD2 4.31Å; A220-L260 HydrophobicContact CB-CG 3.69Å; G256-L260 PolarHBondContact O-N 3.33Å; I257-L260 PolarHBondContact O-N 3.18Å; I257-L260 VanDerWaalsContact O-N 3.11Å; F258-L260 PolarHBondContact O-N 3.27Å; L260-R262 VanDerWaalsContact C-N 3.32Å; L260-R262 PolarHBondContact O-N 3.02Å; L260-F263 CarbonylContact O-C 3.53Å; L260-F263 PolarHBondContact O-N 3.09Å; L260-H264 PolarHBondContact O-N 2.98Å; L260-M314 HydrophobicContact CD1-CE 3.51Å; L260-M314 HydrophobicContact CD1-SD 3.42Å; L260-M314 WeakPolarHBondContact CD1-SD 3.42Å; L260-I317 HydrophobicContact CB-CD1 3.88Å; L260-I317 HydrophobicContact CB-CG2 4.36Å
261I95.1Very high91.9Very high1 Ų121.4 Ų21.41%0.00512%0.12CC..Hα-helixtrans-61.5-41.9173.6-69.7162.8000110.6F85 I257 F258 L259 F263 H264 I317 P322 A325 F326 I329F85-I261 HydrophobicContact CD1-CG2 3.68Å; F85-I261 HydrophobicContact CD2-CG2 4.22Å; F85-I261 HydrophobicContact CE1-CG2 3.25Å; F85-I261 HydrophobicContact CE2-CG2 3.84Å; F85-I261 HydrophobicContact CG-CG2 4.15Å; F85-I261 HydrophobicContact CZ-CG2 3.34Å; I257-I261 HydrophobicContact CG2-CD1 3.9Å; I257-I261 WeakPolarHBondContact O-CG1 3.22Å; I257-I261 PolarHBondContact O-N 2.97Å; F258-I261 WeakPolarHBondContact O-CB 3.35Å; F258-I261 PolarHBondContact O-N 2.91Å; L259-I261 VanDerWaalsContact C-N 3.35Å; L259-I261 PolarHBondContact O-N 3.29Å; I261-F263 VanDerWaalsContact C-N 3.28Å; I261-F263 PolarHBondContact O-N 3.12Å; I261-H264 WeakPolarHBondContact O-CB 3.45Å; I261-H264 PolarHBondContact O-N 3.44Å; I261-I317 HydrophobicContact CD1-CD1 4.46Å; I261-I317 HydrophobicContact CG1-CD1 3.84Å; I261-I317 HydrophobicContact CG1-CG1 4.23Å; I261-P322 HydrophobicContact CG1-CB 4.41Å; I261-P322 HydrophobicContact CG2-CB 4.31Å; I261-A325 HydrophobicContact CD1-CB 4.02Å; I261-A325 HydrophobicContact CG1-CB 4.36Å; I261-F326 HydrophobicContact CD1-CB 4.09Å; I261-I329 HydrophobicContact CD1-CD1 3.55Å
262R92.8Very high92.2Very high28 Ų2825.8 Ų25.811%0.10614%0.143CC..Hα-helixtrans-62.7-34.6176.7-71.2-69.9-170.7177.1-6.4113D83 V132 F258 L259 L260D83-R262 IonicContact OD1-CZ 2.76Å; D83-R262 VanDerWaalsContact OD1-CZ 3.24Å; D83-R262 IonicContact OD1-NH1 2.67Å; D83-R262 PolarHBondContact OD1-NH1 3.29Å; D83-R262 IonicContact OD1-NH2 3.11Å; D83-R262 PolarHBondContact OD1-NH2 2.89Å; D83-R262 IonicContact OD2-CZ 2.63Å; D83-R262 IonicContact OD2-NH1 3.61Å; D83-R262 PolarHBondContact OD2-NH1 3.36Å; D83-R262 IonicContact OD2-NH2 3.22Å; V132-R262 PolarHBondContact O-NH2 3.13Å; F258-R262 HydrophobicContact CD1-CG 3.99Å; F258-R262 HydrophobicContact CE1-CG 3.69Å; F258-R262 VanDerWaalsContact CE1-NE 3.26Å; F258-R262 HydrophobicContact CZ-CG 4.18Å; F258-R262 VanDerWaalsContact O-CG 3.3Å; F258-R262 WeakPolarHBondContact O-CG 3.26Å; F258-R262 PolarHBondContact O-N 3.33Å; L259-R262 WeakPolarHBondContact O-CB 3.3Å; L259-R262 PolarHBondContact O-N 3.03Å; L260-R262 VanDerWaalsContact C-N 3.32Å; L260-R262 PolarHBondContact O-N 3.02Å
263F90.9Very high92.4Very high9 Ų926 Ų264%0.03914%0.144CC..THydrogen-bonded Turntrans-96.416.7177.8-68.2-64.1000113.7L137 P198 M201 L216 L259 L260 I261 L266 A267L137-F263 HydrophobicContact CD1-CZ 4.37Å; L137-F263 HydrophobicContact CD2-CE1 4.33Å; L137-F263 HydrophobicContact CD2-CE2 3.62Å; L137-F263 HydrophobicContact CD2-CZ 3.26Å; L137-F263 HydrophobicContact CG-CZ 3.87Å; P198-F263 HydrophobicContact CB-CE1 3.93Å; M201-F263 HydrophobicContact CE-CD1 4.14Å; M201-F263 HydrophobicContact CE-CE1 3.29Å; M201-F263 HydrophobicContact CE-CZ 4.04Å; L216-F263 HydrophobicContact CD1-CB 4.01Å; L216-F263 HydrophobicContact CD1-CD1 4.46Å; L216-F263 HydrophobicContact CD1-CD2 3.76Å; L216-F263 HydrophobicContact CD1-CE2 4.48Å; L216-F263 HydrophobicContact CD1-CG 3.78Å; L216-F263 HydrophobicContact CD2-CD2 4.04Å; L216-F263 HydrophobicContact CD2-CE2 4.18Å; L259-F263 HydrophobicContact CD2-CD2 4.2Å; L259-F263 HydrophobicContact CG-CD2 4.25Å; L259-F263 HydrophobicContact CG-CE2 4.38Å; L259-F263 WeakPolarHBondContact O-CD2 3.44Å; L259-F263 PolarHBondContact O-N 2.85Å; L259-F263 VanDerWaalsContact O-N 3.16Å; L260-F263 CarbonylContact O-C 3.53Å; L260-F263 PolarHBondContact O-N 3.09Å; I261-F263 VanDerWaalsContact C-N 3.28Å; I261-F263 PolarHBondContact O-N 3.12Å; F263-L266 HydrophobicContact CD1-CD1 3.83Å; F263-L266 PolarHBondContact O-N 3.14Å; F263-L266 VanDerWaalsContact O-N 3.07Å; F263-A267 PolarHBondContact O-N 3.24Å; F263-A267 VanDerWaalsContact O-N 3.09Å
264H89.8Confident92.4Very high24 Ų2427.7 Ų27.711%0.11115%0.152CC..Hα-helixtrans-54.2-42.9178.6165.1-92.3000113.9L260 I261 L266 A267 E268 N320 P322L260-H264 PolarHBondContact O-N 2.98Å; I261-H264 WeakPolarHBondContact O-CB 3.45Å; I261-H264 PolarHBondContact O-N 3.44Å; H264-L266 PolarHBondContact O-N 3.29Å; H264-L266 VanDerWaalsContact O-N 3.11Å; H264-A267 PolarHBondContact O-N 3.01Å; H264-E268 IonicContact CE1-OE2 2.53Å; H264-E268 PolarHBondContact CE1-OE2 3.49Å; H264-E268 PolarHBondContact O-N 2.93Å; H264-N320 PolarHBondContact CD2-OD1 2.9Å; H264-N320 PolarHBondContact NE2-OD1 3.02Å; H264-P322 HydrophobicContact CB-CB 3.94Å; H264-P322 HydrophobicContact CB-CG 4.07Å; H264-P322 WeakPolarHBondContact CD2-CG 3.37Å; H264-P322 VanDerWaalsContact CG-CG 3.41Å
265P89.4Confident92.5Very high69 Ų6930.9 Ų30.945%0.44817%0.171SC..Hα-helixtrans-58.7-28.8178.2-26.635.3000113.9A202A202-P265 HydrophobicContact CB-CB 4.49Å
266L88.4Confident92.6Very high4 Ų434.3 Ų34.32%0.02119%0.189CC..Hα-helixtrans-80.7-36.5173.7-62.7173.7000111.4F189 N205 P208 L213 F263 H264 E268F189-L266 HydrophobicContact CE1-CD1 4.13Å; F189-L266 HydrophobicContact CZ-CD1 3.94Å; N205-L266 HydrophobicContact CB-CD2 4.23Å; P208-L266 HydrophobicContact CB-CD2 4.34Å; P208-L266 HydrophobicContact CG-CB 4.48Å; P208-L266 WeakPolarHBondContact CG-O 3.11Å; L213-L266 HydrophobicContact CD2-CB 4.01Å; F263-L266 HydrophobicContact CD1-CD1 3.83Å; F263-L266 PolarHBondContact O-N 3.14Å; F263-L266 VanDerWaalsContact O-N 3.07Å; H264-L266 PolarHBondContact O-N 3.29Å; H264-L266 VanDerWaalsContact O-N 3.11Å; L266-E268 VanDerWaalsContact C-N 3.33Å
267A88.4Confident92.7Very high13 Ų1334.4 Ų34.411%0.10719%0.19CC..Hα-helixtrans-70.1-30.4179.800000112.7F263 H264 N269 S270 Q274F263-A267 PolarHBondContact O-N 3.24Å; F263-A267 VanDerWaalsContact O-N 3.09Å; H264-A267 PolarHBondContact O-N 3.01Å; A267-N269 VanDerWaalsContact C-N 3.29Å; A267-N269 PolarHBondContact O-N 2.84Å; A267-S270 PolarHBondContact O-N 3.36Å; A267-S270 VanDerWaalsContact O-N 3.15Å; A267-S270 PolarHBondContact O-OG 3.2Å; A267-S270 VanDerWaalsContact O-OG 3.06Å; A267-Q274 PolarHBondContact O-NE2 3.1Å; A267-Q274 VanDerWaalsContact O-NE2 3.16Å
268E88.9Confident92.7Very high90 Ų9034.9 Ų34.942%0.42119%0.192SC..Hα-helixtrans-56.8-38.6-178.5-179.1156.2-147.300113H264 L266 S270 Q274 N320H264-E268 IonicContact CE1-OE2 2.53Å; H264-E268 PolarHBondContact CE1-OE2 3.49Å; H264-E268 PolarHBondContact O-N 2.93Å; L266-E268 VanDerWaalsContact C-N 3.33Å; E268-S270 VanDerWaalsContact C-N 3.25Å; E268-S270 PolarHBondContact O-N 3.03Å; E268-Q274 VanDerWaalsContact CA-NE2 3.31Å; E268-Q274 PolarHBondContact O-NE2 2.7Å; E268-N320 PolarHBondContact OE1-ND2 2.88Å
269N87.3Confident92.7Very high88 Ų8836.4 Ų36.447%0.47120%0.203SC..THydrogen-bonded Turntrans-80.6-2.9-176.6-63.5-12.9000113.7A206 P208 A267A206-N269 PolarHBondContact O-ND2 3.07Å; P208-N269 HydrophobicContact CG-CB 4.35Å; A267-N269 VanDerWaalsContact C-N 3.29Å; A267-N269 PolarHBondContact O-N 2.84Å
270S90.1Very high92.8Very high12 Ų1238.2 Ų38.28%0.08421%0.212CC..  trans-122.193.8-171.965.30000112.6L213 A267 E268 L272 I273 Q274L213-S270 VanDerWaalsContact CD1-OG 3.27Å; L213-S270 WeakPolarHBondContact CD1-OG 3.2Å; A267-S270 PolarHBondContact O-N 3.36Å; A267-S270 VanDerWaalsContact O-N 3.15Å; A267-S270 PolarHBondContact O-OG 3.2Å; A267-S270 VanDerWaalsContact O-OG 3.06Å; E268-S270 VanDerWaalsContact C-N 3.25Å; E268-S270 PolarHBondContact O-N 3.03Å; S270-L272 PolarHBondContact O-N 3.4Å; S270-I273 PolarHBondContact O-N 3.17Å; S270-I273 VanDerWaalsContact O-N 3.12Å; S270-I273 WeakPolarHBondContact OG-CB 3.23Å; S270-I273 WeakPolarHBondContact OG-CG1 3.35Å; S270-Q274 PolarHBondContact O-N 2.94Å
271P91.2Very high92.9Very high93 Ų9337.6 Ų37.660%0.60421%0.209SC*.Hα-helixtrans-64.9-28.5-176.325.5-34.3000112.7I273 Q274 T275P271-I273 VanDerWaalsContact C-N 3.32Å; P271-I273 PolarHBondContact O-N 3.36Å; P271-Q274 PolarHBondContact O-N 2.58Å; P271-T275 WeakPolarHBondContact O-CG2 3.21Å; P271-T275 PolarHBondContact O-N 3.35Å; P271-T275 PolarHBondContact O-OG1 2.71Å
272L94.2Very high93Very high93 Ų9337.6 Ų37.649%0.48721%0.209SC..Hα-helixtrans-63.8-37.6176.4-171.566.7000111.9L210 S270 T275 L276L210-L272 HydrophobicContact CD1-CB 4.25Å; L210-L272 HydrophobicContact CD1-CD2 3.72Å; L210-L272 HydrophobicContact CD1-CG 4.28Å; L210-L272 HydrophobicContact CD2-CD2 3.66Å; L210-L272 HydrophobicContact CG-CD2 4.36Å; S270-L272 PolarHBondContact O-N 3.4Å; L272-T275 WeakPolarHBondContact CA-OG1 3.25Å; L272-T275 PolarHBondContact O-OG1 2.85Å; L272-L276 HydrophobicContact CG-CD1 4.25Å; L272-L276 WeakPolarHBondContact O-CB 3.44Å; L272-L276 VanDerWaalsContact O-CG 3.24Å; L272-L276 WeakPolarHBondContact O-CG 3.38Å; L272-L276 PolarHBondContact O-N 2.87Å
273I94.8Very high93.3Very high4 Ų439 Ų392%0.02122%0.218CC..Hα-helixtrans-73.6-40.8178.2-62.8-55.3000110.7L210 L213 L214 S270 P271 T275 L276 T277L210-I273 HydrophobicContact CD1-CD1 3.34Å; L210-I273 HydrophobicContact CD1-CG1 3.69Å; L210-I273 HydrophobicContact CG-CD1 4.26Å; L213-I273 HydrophobicContact CB-CD1 3.97Å; L213-I273 HydrophobicContact CB-CG1 3.71Å; L213-I273 HydrophobicContact CB-CG2 4.31Å; L213-I273 HydrophobicContact CD1-CG1 3.93Å; L213-I273 HydrophobicContact CG-CG1 4.47Å; L214-I273 HydrophobicContact CD2-CD1 3.92Å; L214-I273 HydrophobicContact CG-CD1 4.04Å; S270-I273 PolarHBondContact O-N 3.17Å; S270-I273 VanDerWaalsContact O-N 3.12Å; S270-I273 WeakPolarHBondContact OG-CB 3.23Å; S270-I273 WeakPolarHBondContact OG-CG1 3.35Å; P271-I273 VanDerWaalsContact C-N 3.32Å; P271-I273 PolarHBondContact O-N 3.36Å; I273-T275 VanDerWaalsContact C-N 3.32Å; I273-T275 PolarHBondContact O-N 3.26Å; I273-L276 HydrophobicContact CD1-CD1 4.35Å; I273-L276 PolarHBondContact O-N 3.09Å; I273-T277 HydrophobicContact CG2-CG2 4.16Å; I273-T277 WeakPolarHBondContact O-CB 3.45Å; I273-T277 VanDerWaalsContact O-CG2 3.28Å; I273-T277 WeakPolarHBondContact O-CG2 3.47Å; I273-T277 PolarHBondContact O-N 3.03Å; I273-T277 PolarHBondContact O-OG1 3.3Å
274Q93.9Very high93.6Very high37 Ų3738.7 Ų38.717%0.17322%0.217CC..Hα-helixtrans-57.7-45.5173.8-70.7172.611.700111.7A267 E268 S270 P271 T277 L278 G318A267-Q274 PolarHBondContact O-NE2 3.1Å; A267-Q274 VanDerWaalsContact O-NE2 3.16Å; E268-Q274 VanDerWaalsContact CA-NE2 3.31Å; E268-Q274 PolarHBondContact O-NE2 2.7Å; S270-Q274 PolarHBondContact O-N 2.94Å; P271-Q274 PolarHBondContact O-N 2.58Å; Q274-T277 WeakPolarHBondContact CA-OG1 3.43Å; Q274-T277 PolarHBondContact O-N 3.46Å; Q274-T277 PolarHBondContact O-OG1 3.24Å; Q274-L278 VanDerWaalsContact O-CB 3.23Å; Q274-L278 WeakPolarHBondContact O-CB 3.42Å; Q274-L278 PolarHBondContact O-N 3.13Å; Q274-G318 WeakPolarHBondContact CB-O 3.15Å; Q274-G318 WeakPolarHBondContact O-CA 3.47Å
275T95.3Very high93.9Very high68 Ų6837.7 Ų37.742%0.41721%0.212SC..Hα-helixtrans-67.2-40.9177.151.70000113P271 L272 I273 L278 C279P271-T275 WeakPolarHBondContact O-CG2 3.21Å; P271-T275 PolarHBondContact O-N 3.35Å; P271-T275 PolarHBondContact O-OG1 2.71Å; L272-T275 WeakPolarHBondContact CA-OG1 3.25Å; L272-T275 PolarHBondContact O-OG1 2.85Å; I273-T275 VanDerWaalsContact C-N 3.32Å; I273-T275 PolarHBondContact O-N 3.26Å; T275-L278 PolarHBondContact O-N 3.44Å; T275-C279 WeakPolarHBondContact O-CB 3.06Å; T275-C279 PolarHBondContact O-N 3.26Å; T275-C279 PolarHBondContact O-SG 3.14Å
276L96.1Very high94.3Very high73 Ų7336.6 Ų36.638%0.38220%0.203SC..Hα-helixtrans-64.3-44.2175.4-74.7171.8000112.2L214 L217 L272 I273 C279 L280L214-L276 HydrophobicContact CD2-CD1 3.79Å; L217-L276 HydrophobicContact CD1-CB 3.99Å; L272-L276 HydrophobicContact CG-CD1 4.25Å; L272-L276 WeakPolarHBondContact O-CB 3.44Å; L272-L276 VanDerWaalsContact O-CG 3.24Å; L272-L276 WeakPolarHBondContact O-CG 3.38Å; L272-L276 PolarHBondContact O-N 2.87Å; I273-L276 HydrophobicContact CD1-CD1 4.35Å; I273-L276 PolarHBondContact O-N 3.09Å; L276-C279 PolarHBondContact O-N 2.83Å; L276-L280 WeakPolarHBondContact O-CB 3.26Å; L276-L280 PolarHBondContact O-N 2.83Å
277T96.1Very high94.7Very high3 Ų338 Ų382%0.01821%0.208CC..Hα-helixtrans-63.5-44.1176.752.10000111.4L217 I273 Q274 L280 G281 M314 G318L217-T277 HydrophobicContact CD1-CG2 3.51Å; L217-T277 HydrophobicContact CG-CG2 4.24Å; I273-T277 HydrophobicContact CG2-CG2 4.16Å; I273-T277 WeakPolarHBondContact O-CB 3.45Å; I273-T277 VanDerWaalsContact O-CG2 3.28Å; I273-T277 WeakPolarHBondContact O-CG2 3.47Å; I273-T277 PolarHBondContact O-N 3.03Å; I273-T277 PolarHBondContact O-OG1 3.3Å; Q274-T277 WeakPolarHBondContact CA-OG1 3.43Å; Q274-T277 PolarHBondContact O-N 3.46Å; Q274-T277 PolarHBondContact O-OG1 3.24Å; T277-L280 PolarHBondContact O-N 3.05Å; T277-G281 PolarHBondContact O-N 2.97Å; T277-M314 HydrophobicContact CG2-CE 3.5Å; T277-M314 HydrophobicContact CG2-SD 4.35Å; T277-M314 WeakPolarHBondContact O-CG 3.44Å; T277-G318 VanDerWaalsContact OG1-CA 3.27Å; T277-G318 WeakPolarHBondContact OG1-CA 3.1Å
278L96.6Very high95.1Very high9 Ų937.4 Ų37.45%0.04720%0.204CC..Hα-helixtrans-56.9-53174.8-174.583.4000111.9Q274 T275 G281 A282 V315 I319 N405 A408Q274-L278 VanDerWaalsContact O-CB 3.23Å; Q274-L278 WeakPolarHBondContact O-CB 3.42Å; Q274-L278 PolarHBondContact O-N 3.13Å; T275-L278 PolarHBondContact O-N 3.44Å; L278-G281 PolarHBondContact O-N 3.45Å; L278-A282 WeakPolarHBondContact O-CB 3.49Å; L278-A282 PolarHBondContact O-N 3.18Å; L278-V315 HydrophobicContact CD1-CB 4.44Å; L278-V315 HydrophobicContact CD1-CG1 3.79Å; L278-I319 HydrophobicContact CD1-CD1 4.13Å; L278-I319 HydrophobicContact CD1-CG1 3.63Å; L278-N405 HydrophobicContact CD2-CB 3.88Å; L278-A408 HydrophobicContact CD2-CB 3.77Å; L278-A408 HydrophobicContact CG-CB 3.85Å
279C97.1Very high95.5Very high33 Ų3333.1 Ų33.122%0.22318%0.184CC..Hα-helixtrans-64.2-43.9-178.1-72.70000111.8T275 L276 A282 I283T275-C279 WeakPolarHBondContact O-CB 3.06Å; T275-C279 PolarHBondContact O-N 3.26Å; T275-C279 PolarHBondContact O-SG 3.14Å; L276-C279 PolarHBondContact O-N 2.83Å; C279-A282 PolarHBondContact O-N 2.89Å; C279-I283 WeakPolarHBondContact O-CD1 3.44Å; C279-I283 VanDerWaalsContact O-CG1 3.25Å; C279-I283 WeakPolarHBondContact O-CG1 3.4Å; C279-I283 PolarHBondContact O-N 3.4Å; C279-I283 VanDerWaalsContact O-N 3.09Å
280L97.6Very high96Very high39 Ų3930.8 Ų30.820%0.20417%0.172CC..Hα-helixtrans-62.5-45178.3-177.4127.7000111.2L217 Q226 L276 T277 T284 M314L217-L280 HydrophobicContact CD2-CD1 4.32Å; Q226-L280 HydrophobicContact CB-CD2 3.51Å; Q226-L280 HydrophobicContact CB-CG 4.25Å; Q226-L280 HydrophobicContact CG-CD2 3.6Å; L276-L280 WeakPolarHBondContact O-CB 3.26Å; L276-L280 PolarHBondContact O-N 2.83Å; T277-L280 PolarHBondContact O-N 3.05Å; L280-T284 VanDerWaalsContact O-CG2 3.28Å; L280-T284 WeakPolarHBondContact O-CG2 3.22Å; L280-T284 PolarHBondContact O-N 3.33Å; L280-T284 PolarHBondContact O-OG1 3.24Å; L280-M314 HydrophobicContact CD2-CE 3.8Å; L280-M314 HydrophobicContact CD2-CG 4.2Å
281G97.3Very high96.3Very high0 Ų030.2 Ų30.20%017%0.168CC..Hα-helixtrans-64.6-41.3175.500000113.6T277 L278 I283 T284 T285 G311T277-G281 PolarHBondContact O-N 2.97Å; L278-G281 PolarHBondContact O-N 3.45Å; G281-I283 PolarHBondContact O-N 3.43Å; G281-T284 WeakPolarHBondContact CA-OG1 3.37Å; G281-T284 PolarHBondContact O-N 3.04Å; G281-T284 PolarHBondContact O-OG1 2.88Å; G281-T285 WeakPolarHBondContact O-CG2 2.98Å; G281-T285 PolarHBondContact O-N 3Å; G281-G311 WeakPolarHBondContact CA-O 3.39Å
282A97.6Very high96.5Very high0 Ų025.8 Ų25.80%014%0.14CC..Hα-helixtrans-63.6-44.1179.600000111.2L278 C279 T284 T285 L286 V315 A408 I411 T412L278-A282 WeakPolarHBondContact O-CB 3.49Å; L278-A282 PolarHBondContact O-N 3.18Å; C279-A282 PolarHBondContact O-N 2.89Å; A282-T284 VanDerWaalsContact C-N 3.32Å; A282-T284 PolarHBondContact O-N 2.66Å; A282-T285 PolarHBondContact O-N 3.04Å; A282-T285 PolarHBondContact O-OG1 2.8Å; A282-L286 PolarHBondContact O-N 3.47Å; A282-V315 HydrophobicContact CB-CG2 4.15Å; A282-V315 VanDerWaalsContact N-CG2 3.33Å; A282-A408 HydrophobicContact CB-CB 3.74Å; A282-I411 HydrophobicContact CB-CG2 4.44Å; A282-I411 VanDerWaalsContact O-CG2 3.28Å; A282-I411 WeakPolarHBondContact O-CG2 3.46Å; A282-T412 HydrophobicContact CB-CG2 3.99Å
283I97.4Very high96.6Very high57 Ų5723.6 Ų23.629%0.29213%0.128SC..Hα-helixtrans-65.7-37.5179.4-59.2163000111.1L227 C279 G281 F287 W407L227-I283 HydrophobicContact CD1-CG2 4.15Å; L227-I283 HydrophobicContact CD2-CB 4.3Å; L227-I283 HydrophobicContact CD2-CG2 3.42Å; L227-I283 VanDerWaalsContact CD2-CG2 3.42Å; L227-I283 HydrophobicContact CG-CG2 4.28Å; C279-I283 WeakPolarHBondContact O-CD1 3.44Å; C279-I283 VanDerWaalsContact O-CG1 3.25Å; C279-I283 WeakPolarHBondContact O-CG1 3.4Å; C279-I283 PolarHBondContact O-N 3.4Å; C279-I283 VanDerWaalsContact O-N 3.09Å; G281-I283 PolarHBondContact O-N 3.43Å; I283-F287 VanDerWaalsContact O-CB 3.27Å; I283-F287 WeakPolarHBondContact O-CB 3.44Å; I283-F287 PolarHBondContact O-N 2.72Å; I283-W407 HydrophobicContact CD1-CH2 3.79Å; I283-W407 HydrophobicContact CD1-CZ3 4Å; I283-W407 HydrophobicContact CG1-CH2 3.48Å; I283-W407 VanDerWaalsContact CG1-CH2 3.48Å; I283-W407 HydrophobicContact CG1-CZ3 3.72Å
284T97.5Very high96.6Very high3 Ų324.1 Ų24.12%0.01813%0.132CC..Hα-helixtrans-67.6-42.417851.40000112.8Q226 L227 L280 G281 A282 L286 F287 A288 G311Q226-T284 HydrophobicContact CB-CG2 3.88Å; Q226-T284 VanDerWaalsContact OE1-CG2 3.26Å; Q226-T284 PolarHBondContact OE1-OG1 3.02Å; L227-T284 HydrophobicContact CB-CG2 3.54Å; L280-T284 VanDerWaalsContact O-CG2 3.28Å; L280-T284 WeakPolarHBondContact O-CG2 3.22Å; L280-T284 PolarHBondContact O-N 3.33Å; L280-T284 PolarHBondContact O-OG1 3.24Å; G281-T284 WeakPolarHBondContact CA-OG1 3.37Å; G281-T284 PolarHBondContact O-N 3.04Å; G281-T284 PolarHBondContact O-OG1 2.88Å; A282-T284 VanDerWaalsContact C-N 3.32Å; A282-T284 PolarHBondContact O-N 2.66Å; T284-L286 PolarHBondContact O-N 2.87Å; T284-F287 PolarHBondContact O-N 2.9Å; T284-A288 VanDerWaalsContact O-CB 3.29Å; T284-A288 WeakPolarHBondContact O-CB 3.42Å; T284-A288 PolarHBondContact O-N 3.19Å; T284-G311 VanDerWaalsContact OG1-CA 3.23Å; T284-G311 WeakPolarHBondContact OG1-CA 3.14Å
285T97.2Very high96.8Very high3 Ų323 Ų232%0.01813%0.127CC..Hα-helixtrans-53.6-46.9177.962.40000111.3G281 A282 A289 S308 L312G281-T285 WeakPolarHBondContact O-CG2 2.98Å; G281-T285 PolarHBondContact O-N 3Å; A282-T285 PolarHBondContact O-N 3.04Å; A282-T285 PolarHBondContact O-OG1 2.8Å; T285-A289 WeakPolarHBondContact O-CB 3.11Å; T285-A289 PolarHBondContact O-N 3.28Å; T285-A289 VanDerWaalsContact O-N 3.14Å; T285-S308 VanDerWaalsContact CG2-O 3.27Å; T285-S308 WeakPolarHBondContact CG2-O 3.44Å; T285-S308 PolarHBondContact O-OG 3.07Å; T285-L312 HydrophobicContact CG2-CB 4.13Å
286L97.4Very high96.8Very high47 Ų4721.2 Ų21.225%0.24611%0.114CC..Hα-helixtrans-72.3-51.1-178.3-176.874.8000111.8A282 T284 A288 A289 V290 I411 I414 L418A282-L286 PolarHBondContact O-N 3.47Å; T284-L286 PolarHBondContact O-N 2.87Å; L286-A288 VanDerWaalsContact C-N 3.31Å; L286-A288 PolarHBondContact O-N 3.44Å; L286-A289 PolarHBondContact O-N 3.14Å; L286-A289 VanDerWaalsContact O-N 3.16Å; L286-V290 HydrophobicContact CD1-CG2 4.34Å; L286-V290 HydrophobicContact CG-CG2 4.35Å; L286-V290 WeakPolarHBondContact O-CG2 3.34Å; L286-V290 PolarHBondContact O-N 3.14Å; L286-I411 HydrophobicContact CB-CG2 3.45Å; L286-I411 VanDerWaalsContact CB-CG2 3.45Å; L286-I411 HydrophobicContact CD1-CG2 4.26Å; L286-I411 HydrophobicContact CD2-CD1 4.37Å; L286-I411 HydrophobicContact CD2-CG1 4.42Å; L286-I411 HydrophobicContact CD2-CG2 3.82Å; L286-I411 HydrophobicContact CG-CG2 4.02Å; L286-I414 HydrophobicContact CD1-CB 4.29Å; L286-I414 HydrophobicContact CD1-CG2 3.75Å; L286-L418 HydrophobicContact CD1-CD1 4.26Å
287F97.5Very high96.8Very high32 Ų3219.8 Ų19.814%0.1411%0.107CC..Hα-helixtrans-58-46.7-176.8178.7-95.2000111.2L227 H230 I283 T284 V290 C291 F522L227-F287 HydrophobicContact CD1-CB 3.8Å; L227-F287 HydrophobicContact CD1-CD1 3.87Å; L227-F287 HydrophobicContact CD1-CD2 4.28Å; L227-F287 HydrophobicContact CD1-CG 3.69Å; H230-F287 AromaticContact CD2-CE1 3.55Å; H230-F287 AromaticContact CE1-CE1 3.76Å; H230-F287 AromaticContact NE2-CE1 3.2Å; H230-F287 WeakPolarHBondContact NE2-CE1 3.42Å; H230-F287 AromaticContact NE2-CZ 3.73Å; I283-F287 VanDerWaalsContact O-CB 3.27Å; I283-F287 WeakPolarHBondContact O-CB 3.44Å; I283-F287 PolarHBondContact O-N 2.72Å; T284-F287 PolarHBondContact O-N 2.9Å; F287-V290 PolarHBondContact O-N 3.35Å; F287-C291 PolarHBondContact O-N 3.06Å; F287-C291 PolarHBondContact O-SG 3.48Å; F287-F522 HydrophobicContact CE2-CZ 4.34Å
288A96.9Very high96.9Very high1 Ų119.6 Ų19.61%0.00811%0.106CC..Hα-helixtrans-65.2-42.1177.400000111.9T284 L286 C291 A292 F304T284-A288 VanDerWaalsContact O-CB 3.29Å; T284-A288 WeakPolarHBondContact O-CB 3.42Å; T284-A288 PolarHBondContact O-N 3.19Å; L286-A288 VanDerWaalsContact C-N 3.31Å; L286-A288 PolarHBondContact O-N 3.44Å; A288-C291 PolarHBondContact O-N 2.95Å; A288-A292 WeakPolarHBondContact O-CB 3.5Å; A288-A292 PolarHBondContact O-N 2.94Å; A288-F304 HydrophobicContact CB-CD1 4.26Å
289A97.1Very high96.8Very high0 Ų019.3 Ų19.30%010%0.104CC..Hα-helixtrans-64.8-40.3178.800000112.7T285 L286 A292 L293 L418 Y422T285-A289 WeakPolarHBondContact O-CB 3.11Å; T285-A289 PolarHBondContact O-N 3.28Å; T285-A289 VanDerWaalsContact O-N 3.14Å; L286-A289 PolarHBondContact O-N 3.14Å; L286-A289 VanDerWaalsContact O-N 3.16Å; A289-A292 PolarHBondContact O-N 3.47Å; A289-L293 PolarHBondContact O-N 3.37Å; A289-L418 HydrophobicContact CB-CB 3.73Å; A289-L418 HydrophobicContact CB-CD1 4.02Å; A289-Y422 HydrophobicContact CB-CE1 4.1Å
290V96.9Very high96.8Very high39 Ų3920.4 Ų20.424%0.23611%0.105CC..Hα-helixtrans-63.4-43.2174.9171.30000111L286 F287 A292 L293 L418 S523L286-V290 HydrophobicContact CD1-CG2 4.34Å; L286-V290 HydrophobicContact CG-CG2 4.35Å; L286-V290 WeakPolarHBondContact O-CG2 3.34Å; L286-V290 PolarHBondContact O-N 3.14Å; F287-V290 PolarHBondContact O-N 3.35Å; V290-A292 VanDerWaalsContact C-N 3.35Å; V290-A292 PolarHBondContact O-N 2.97Å; V290-L293 PolarHBondContact O-N 3.15Å; V290-L418 HydrophobicContact CG2-CD1 3.7Å; V290-S523 WeakPolarHBondContact O-CB 3.47Å
291C96.6Very high96.8Very high0 Ų018.6 Ų18.60%010%0.096CC..Hα-helixtrans-62.3-41.8175.7-66.80000111.6F287 A288 L293 T294 Q295 F304 L526F287-C291 PolarHBondContact O-N 3.06Å; F287-C291 PolarHBondContact O-SG 3.48Å; A288-C291 PolarHBondContact O-N 2.95Å; C291-L293 PolarHBondContact O-N 3.47Å; C291-T294 PolarHBondContact O-N 3.2Å; C291-Q295 WeakPolarHBondContact O-CG 2.99Å; C291-F304 HydrophobicContact CB-CD1 4Å; C291-F304 HydrophobicContact CB-CD2 4.35Å; C291-F304 HydrophobicContact CB-CE1 3.98Å; C291-F304 HydrophobicContact CB-CE2 4.35Å; C291-F304 HydrophobicContact CB-CG 4.21Å; C291-F304 HydrophobicContact CB-CZ 4.19Å; C291-L526 HydrophobicContact CB-CD2 3.82Å
292A96.6Very high96.7Very high0 Ų018.6 Ų18.60%010%0.096CC..Hα-helixtrans-60.3-27.2-179.300000114.1A288 A289 V290 T294 F304 Y422A288-A292 WeakPolarHBondContact O-CB 3.5Å; A288-A292 PolarHBondContact O-N 2.94Å; A289-A292 PolarHBondContact O-N 3.47Å; V290-A292 VanDerWaalsContact C-N 3.35Å; V290-A292 PolarHBondContact O-N 2.97Å; A292-T294 VanDerWaalsContact C-N 3.32Å; A292-T294 PolarHBondContact O-N 3.31Å; A292-F304 HydrophobicContact CB-CB 3.72Å; A292-Y422 HydrophobicContact CB-CD1 3.64Å; A292-Y422 HydrophobicContact CB-CE1 4.12Å; A292-Y422 HydrophobicContact CB-CG 3.89Å
293L95.2Very high96.6Very high47 Ų4718.6 Ų18.625%0.24610%0.096CC..THydrogen-bonded Turntrans-63.7-32.7-175-72168.5000113.9A289 V290 C291 L418 A421 R425A289-L293 PolarHBondContact O-N 3.37Å; V290-L293 PolarHBondContact O-N 3.15Å; C291-L293 PolarHBondContact O-N 3.47Å; L293-L418 HydrophobicContact CD1-CD1 4.41Å; L293-L418 HydrophobicContact CD1-CD2 3.83Å; L293-L418 HydrophobicContact CD2-CD2 4.4Å; L293-A421 HydrophobicContact CD2-CB 3.98Å; L293-R425 WeakPolarHBondContact O-CD 3.42Å; L293-R425 PolarHBondContact O-NE 2.63Å; L293-R425 VanDerWaalsContact O-NE 3.1Å; L293-R425 PolarHBondContact O-NH1 2.98Å
294T95.6Very high96.6Very high15 Ų1516 Ų169%0.0928%0.083CC..THydrogen-bonded Turntrans-113.5-9.1-171.854.50000114.1C291 A292 R425 F520 S523 N524C291-T294 PolarHBondContact O-N 3.2Å; A292-T294 VanDerWaalsContact C-N 3.32Å; A292-T294 PolarHBondContact O-N 3.31Å; T294-R425 PolarHBondContact O-NH2 3.22Å; T294-F520 HydrophobicContact CG2-CD2 3.68Å; T294-F520 HydrophobicContact CG2-CE2 3.82Å; T294-S523 WeakPolarHBondContact CG2-OG 3.02Å; T294-S523 VanDerWaalsContact OG1-C 3.26Å; T294-S523 WeakPolarHBondContact OG1-CB 3.5Å; T294-S523 PolarHBondContact OG1-OG 3.14Å; T294-N524 WeakPolarHBondContact OG1-CA 3.25Å; T294-N524 PolarHBondContact OG1-N 3.4Å; T294-N524 VanDerWaalsContact OG1-N 3.17Å
295Q96.6Very high96.6Very high15 Ų1515.9 Ų15.97%0.078%0.082CC..  trans-62.3147.7173.8-68.1-59.4-33.700111.9C291 I301 F304 R425 N524 L526C291-Q295 WeakPolarHBondContact O-CG 2.99Å; Q295-I301 HydrophobicContact CB-CG1 3.93Å; Q295-I301 WeakPolarHBondContact O-CD1 3.16Å; Q295-F304 HydrophobicContact CG-CD2 4.09Å; Q295-F304 HydrophobicContact CG-CE2 3.94Å; Q295-R425 PolarHBondContact O-NH2 3.22Å; Q295-N524 PolarHBondContact NE2-O 3.48Å; Q295-L526 VanDerWaalsContact NE2-CD2 3.33Å
296N96.4Very high96.5Very high30 Ų3015.8 Ų15.816%0.168%0.081CC..  trans-110.6-25-177.5-62.4-40.4000113I298 D355 I356 R425N296-I298 PolarHBondContact O-N 3.39Å; N296-D355 WeakPolarHBondContact CB-OD1 3.17Å; N296-I356 HydrophobicContact CB-CG1 4.49Å; N296-I356 WeakPolarHBondContact O-CG1 3.41Å; N296-I356 WeakPolarHBondContact O-CG2 3.47Å; N296-I356 PolarHBondContact O-N 2.96Å; N296-R425 PolarHBondContact OD1-NH2 3.13Å; N296-R425 VanDerWaalsContact OD1-NH2 3.14Å
297D96.6Very high96.4Very high42 Ų4213.9 Ų13.923%0.2257%0.072CC..BIsolated β-bridgetrans-74.4120176.1-58.8-27.9000109.4K299 K300 I301D297-K299 PolarHBondContact O-N 3.02Å; D297-K300 HydrophobicContact CB-CB 4.05Å; D297-K300 HydrophobicContact CB-CD 4.01Å; D297-K300 HydrophobicContact CB-CG 3.94Å; D297-K300 PolarHBondContact O-N 3.41Å; D297-K300 WeakPolarHBondContact OD2-CD 3.43Å; D297-K300 VanDerWaalsContact OD2-CE 3.26Å; D297-K300 WeakPolarHBondContact OD2-CE 3.27Å; D297-K300 IonicContact OD2-NZ 3.43Å; D297-K300 PolarHBondContact OD2-NZ 2.9Å; D297-I301 WeakPolarHBondContact O-CG1 3.39Å; D297-I301 PolarHBondContact O-N 3.47Å
298I96.4Very high96.4Very high0 Ų012.5 Ų12.50%07%0.066CC..Hα-helixtrans-57.1-38.2-176.1-163.1170.9000111.8N296 I301 V302 I347 Q354 I356 M359 M426 T430N296-I298 PolarHBondContact O-N 3.39Å; I298-I301 PolarHBondContact O-N 2.96Å; I298-V302 WeakPolarHBondContact O-CG2 3.24Å; I298-V302 PolarHBondContact O-N 3.12Å; I298-V302 VanDerWaalsContact O-N 3.08Å; I298-I347 HydrophobicContact CG2-CD1 3.91Å; I298-I347 HydrophobicContact CG2-CG1 4.23Å; I298-Q354 PolarHBondContact N-O 3.39Å; I298-I356 HydrophobicContact CB-CG2 3.92Å; I298-I356 HydrophobicContact CG1-CG2 4.26Å; I298-M359 HydrophobicContact CD1-SD 4.39Å; I298-M359 HydrophobicContact CG2-CE 4.31Å; I298-M426 HydrophobicContact CD1-CG 4.48Å; I298-M426 HydrophobicContact CG1-CG 4.32Å; I298-T430 HydrophobicContact CD1-CG2 3.98Å
299K96.3Very high96.5Very high3 Ų312.6 Ų12.61%0.0137%0.066CC..Hα-helixtrans-64.3-41.7176.8-67.5-178.870.8-177.40112.2M237 G239 T241 D297 V302 A303 I347M237-K299 HydrophobicContact CB-CB 4.11Å; M237-K299 HydrophobicContact CG-CB 4.07Å; M237-K299 WeakPolarHBondContact O-CE 3.35Å; M237-K299 PolarHBondContact O-NZ 2.88Å; M237-K299 HydrophobicContact SD-CB 3.89Å; G239-K299 PolarHBondContact O-NZ 3.4Å; T241-K299 HydrophobicContact CG2-CD 3.95Å; D297-K299 PolarHBondContact O-N 3.02Å; K299-V302 PolarHBondContact O-N 2.98Å; K299-A303 VanDerWaalsContact O-CB 3.3Å; K299-A303 WeakPolarHBondContact O-CB 3.41Å; K299-A303 PolarHBondContact O-N 3.09Å; K299-I347 HydrophobicContact CD-CD1 3.98Å; K299-I347 HydrophobicContact CG-CD1 3.87Å
300K95.6Very high96.4Very high55 Ų5512.6 Ų12.624%0.2397%0.066CC..Hα-helixtrans-68-37.1178-68.7-177.9-176.1149.80111.7M237 D297 V302 A303 F304M237-K300 HydrophobicContact CB-CG 4.49Å; M237-K300 HydrophobicContact CG-CG 4.34Å; D297-K300 HydrophobicContact CB-CB 4.05Å; D297-K300 HydrophobicContact CB-CD 4.01Å; D297-K300 HydrophobicContact CB-CG 3.94Å; D297-K300 PolarHBondContact O-N 3.41Å; D297-K300 WeakPolarHBondContact OD2-CD 3.43Å; D297-K300 VanDerWaalsContact OD2-CE 3.26Å; D297-K300 WeakPolarHBondContact OD2-CE 3.27Å; D297-K300 IonicContact OD2-NZ 3.43Å; D297-K300 PolarHBondContact OD2-NZ 2.9Å; K300-V302 VanDerWaalsContact C-N 3.35Å; K300-A303 WeakPolarHBondContact O-CB 3.27Å; K300-A303 PolarHBondContact O-N 2.95Å; K300-F304 HydrophobicContact CB-CE2 4.48Å; K300-F304 WeakPolarHBondContact O-CD2 3.47Å; K300-F304 PolarHBondContact O-N 3.42Å
301I97.2Very high96.4Very high1 Ų110.8 Ų10.81%0.0056%0.055CC..Hα-helixtrans-60.6-47.7173.7-61.3167.3000109.9Q295 D297 I298 A303 F304 S305 I356 Y422 M426Q295-I301 HydrophobicContact CB-CG1 3.93Å; Q295-I301 WeakPolarHBondContact O-CD1 3.16Å; D297-I301 WeakPolarHBondContact O-CG1 3.39Å; D297-I301 PolarHBondContact O-N 3.47Å; I298-I301 PolarHBondContact O-N 2.96Å; I301-A303 VanDerWaalsContact C-N 3.32Å; I301-A303 PolarHBondContact O-N 3.13Å; I301-F304 PolarHBondContact O-N 2.91Å; I301-S305 WeakPolarHBondContact O-CB 3.16Å; I301-S305 PolarHBondContact O-N 3.07Å; I301-I356 HydrophobicContact CD1-CD1 3.82Å; I301-I356 HydrophobicContact CD1-CG2 4.33Å; I301-Y422 HydrophobicContact CG2-CD2 4.44Å; I301-M426 HydrophobicContact CG2-CE 4.22Å
302V96.6Very high96.5Very high1 Ų111.1 Ų11.11%0.0066%0.057CC..Hα-helixtrans-64.7-37.9177.3-176.10000111I298 K299 K300 S305 T306 L339 F340 M426I298-V302 WeakPolarHBondContact O-CG2 3.24Å; I298-V302 PolarHBondContact O-N 3.12Å; I298-V302 VanDerWaalsContact O-N 3.08Å; K299-V302 PolarHBondContact O-N 2.98Å; K300-V302 VanDerWaalsContact C-N 3.35Å; V302-S305 VanDerWaalsContact C-OG 3.31Å; V302-S305 WeakPolarHBondContact CA-OG 3.05Å; V302-S305 CarbonylContact O-C 3.51Å; V302-S305 WeakPolarHBondContact O-CB 3.13Å; V302-S305 PolarHBondContact O-N 3.38Å; V302-S305 PolarHBondContact O-OG 2.86Å; V302-T306 PolarHBondContact O-N 2.86Å; V302-L339 HydrophobicContact CG1-CB 4.19Å; V302-L339 HydrophobicContact CG2-CB 4.45Å; V302-F340 HydrophobicContact CB-CD1 4.42Å; V302-F340 HydrophobicContact CB-CE1 3.93Å; V302-F340 HydrophobicContact CB-CE2 4.42Å; V302-F340 HydrophobicContact CB-CZ 3.94Å; V302-F340 HydrophobicContact CG1-CD1 4.1Å; V302-F340 HydrophobicContact CG1-CD2 3.78Å; V302-F340 HydrophobicContact CG1-CE1 3.79Å; V302-F340 HydrophobicContact CG1-CE2 3.45Å; V302-F340 VanDerWaalsContact CG1-CE2 3.45Å; V302-F340 HydrophobicContact CG1-CG 4.1Å; V302-F340 HydrophobicContact CG1-CZ 3.46Å; V302-F340 VanDerWaalsContact CG1-CZ 3.46Å; V302-M426 HydrophobicContact CG2-CE 3.89Å
303A95.6Very high96.5Very high0 Ų011.1 Ų11.10%06%0.057CC..Hα-helixtrans-61.1-48.1174.700000113.5L233 M237 K299 K300 I301 S305 T306 S307L233-A303 HydrophobicContact CD2-CB 3.57Å; L233-A303 WeakPolarHBondContact CD2-O 3.35Å; M237-A303 HydrophobicContact CE-CB 3.51Å; M237-A303 HydrophobicContact CG-CB 3.89Å; M237-A303 HydrophobicContact SD-CB 3.87Å; K299-A303 VanDerWaalsContact O-CB 3.3Å; K299-A303 WeakPolarHBondContact O-CB 3.41Å; K299-A303 PolarHBondContact O-N 3.09Å; K300-A303 WeakPolarHBondContact O-CB 3.27Å; K300-A303 PolarHBondContact O-N 2.95Å; I301-A303 VanDerWaalsContact C-N 3.32Å; I301-A303 PolarHBondContact O-N 3.13Å; A303-S305 PolarHBondContact O-N 3.25Å; A303-T306 PolarHBondContact O-N 3.46Å; A303-T306 VanDerWaalsContact O-N 3.09Å; A303-T306 PolarHBondContact O-OG1 2.8Å; A303-S307 PolarHBondContact O-N 2.94Å; A303-S307 VanDerWaalsContact O-N 3.1Å
304F96.8Very high96.6Very high3 Ų38.9 Ų8.91%0.0135%0.045CC..Hα-helixtrans-65.7-33174.9-76.3-62.9000112P234 A288 C291 A292 Q295 K300 I301 T306 S307 S308 L526P234-F304 HydrophobicContact CB-CE1 4.29Å; P234-F304 HydrophobicContact CB-CE2 4.03Å; P234-F304 HydrophobicContact CB-CZ 3.64Å; P234-F304 HydrophobicContact CG-CD1 4.13Å; P234-F304 HydrophobicContact CG-CE1 3.32Å; P234-F304 HydrophobicContact CG-CE2 3.92Å; P234-F304 HydrophobicContact CG-CZ 3.16Å; A288-F304 HydrophobicContact CB-CD1 4.26Å; C291-F304 HydrophobicContact CB-CD1 4Å; C291-F304 HydrophobicContact CB-CD2 4.35Å; C291-F304 HydrophobicContact CB-CE1 3.98Å; C291-F304 HydrophobicContact CB-CE2 4.35Å; C291-F304 HydrophobicContact CB-CG 4.21Å; C291-F304 HydrophobicContact CB-CZ 4.19Å; A292-F304 HydrophobicContact CB-CB 3.72Å; Q295-F304 HydrophobicContact CG-CD2 4.09Å; Q295-F304 HydrophobicContact CG-CE2 3.94Å; K300-F304 HydrophobicContact CB-CE2 4.48Å; K300-F304 WeakPolarHBondContact O-CD2 3.47Å; K300-F304 PolarHBondContact O-N 3.42Å; I301-F304 PolarHBondContact O-N 2.91Å; F304-T306 VanDerWaalsContact C-N 3.25Å; F304-T306 PolarHBondContact O-N 3.32Å; F304-S307 PolarHBondContact O-N 3.48Å; F304-S308 WeakPolarHBondContact O-CB 3.3Å; F304-S308 PolarHBondContact O-N 3.48Å; F304-L526 HydrophobicContact CE1-CD2 4.01Å; F304-L526 HydrophobicContact CE2-CD2 3.54Å; F304-L526 HydrophobicContact CZ-CD1 3.83Å; F304-L526 HydrophobicContact CZ-CD2 3.14Å; F304-L526 HydrophobicContact CZ-CG 4.08Å
305S96.6Very high96.7Very high0 Ų08.4 Ų8.40%04%0.042CC..Hα-helixtrans-66.6-24.9173.882.30000112.9I301 V302 A303 Q309 K336 Y422I301-S305 WeakPolarHBondContact O-CB 3.16Å; I301-S305 PolarHBondContact O-N 3.07Å; V302-S305 VanDerWaalsContact C-OG 3.31Å; V302-S305 WeakPolarHBondContact CA-OG 3.05Å; V302-S305 CarbonylContact O-C 3.51Å; V302-S305 WeakPolarHBondContact O-CB 3.13Å; V302-S305 PolarHBondContact O-N 3.38Å; V302-S305 PolarHBondContact O-OG 2.86Å; A303-S305 PolarHBondContact O-N 3.25Å; S305-Q309 VanDerWaalsContact O-CG 3.27Å; S305-Q309 WeakPolarHBondContact O-CG 3.49Å; S305-Q309 PolarHBondContact O-N 3.43Å; S305-K336 VanDerWaalsContact CB-NZ 3.3Å; S305-K336 PolarHBondContact O-NZ 3.08Å; S305-K336 PolarHBondContact OG-NZ 2.98Å; S305-Y422 VanDerWaalsContact CB-CE2 3.42Å; S305-Y422 WeakPolarHBondContact CB-OH 3.2Å
306T96.3Very high96.6Very high0 Ų07.7 Ų7.70%04%0.039CC..Hα-helixtrans-78-47.317260.20000110.2H248 V302 A303 F304 S308 Q309 L310 K336 F340H248-T306 HydrophobicContact CB-CG2 4.35Å; H248-T306 WeakPolarHBondContact O-CG2 3.39Å; V302-T306 PolarHBondContact O-N 2.86Å; A303-T306 PolarHBondContact O-N 3.46Å; A303-T306 VanDerWaalsContact O-N 3.09Å; A303-T306 PolarHBondContact O-OG1 2.8Å; F304-T306 VanDerWaalsContact C-N 3.25Å; F304-T306 PolarHBondContact O-N 3.32Å; T306-S308 PolarHBondContact O-N 3.15Å; T306-Q309 PolarHBondContact O-N 3.3Å; T306-L310 WeakPolarHBondContact O-CD1 3.33Å; T306-L310 WeakPolarHBondContact O-CG 3.34Å; T306-L310 PolarHBondContact O-N 2.88Å; T306-K336 HydrophobicContact CG2-CD 3.76Å; T306-K336 HydrophobicContact CG2-CG 4Å; T306-F340 HydrophobicContact CG2-CE2 4.2Å
307S96Very high96.6Very high7 Ų76.5 Ų6.55%0.0493%0.033CC..Hα-helixtrans-52.6-40.9174.6176.40000112.1A303 F304 L310 G311A303-S307 PolarHBondContact O-N 2.94Å; A303-S307 VanDerWaalsContact O-N 3.1Å; F304-S307 PolarHBondContact O-N 3.48Å; S307-L310 PolarHBondContact O-N 3.16Å; S307-G311 PolarHBondContact O-N 3.11Å
308S97.1Very high96.5Very high3 Ų34.9 Ų4.92%0.0213%0.026CC..Hα-helixtrans-63.5-43.2175.7-1750000113T285 F304 T306 G311 L312T285-S308 VanDerWaalsContact CG2-O 3.27Å; T285-S308 WeakPolarHBondContact CG2-O 3.44Å; T285-S308 PolarHBondContact O-OG 3.07Å; F304-S308 WeakPolarHBondContact O-CB 3.3Å; F304-S308 PolarHBondContact O-N 3.48Å; T306-S308 PolarHBondContact O-N 3.15Å; S308-G311 PolarHBondContact O-N 2.9Å; S308-L312 PolarHBondContact O-N 3.1Å; S308-L312 VanDerWaalsContact O-N 3.1Å
309Q97.5Very high96.4Very high3 Ų35.9 Ų5.91%0.0143%0.031CC..Hα-helixtrans-72.3-33.1178-63-61.5-21.300112.3S305 T306 G311 L312 M313 H328S305-Q309 VanDerWaalsContact O-CG 3.27Å; S305-Q309 WeakPolarHBondContact O-CG 3.49Å; S305-Q309 PolarHBondContact O-N 3.43Å; T306-Q309 PolarHBondContact O-N 3.3Å; Q309-G311 VanDerWaalsContact C-N 3.31Å; Q309-L312 WeakPolarHBondContact O-CA 3.43Å; Q309-L312 VanDerWaalsContact O-CB 3.32Å; Q309-L312 WeakPolarHBondContact O-CB 3.34Å; Q309-L312 PolarHBondContact O-N 2.65Å; Q309-L312 VanDerWaalsContact O-N 3.08Å; Q309-M313 VanDerWaalsContact O-CG 3.32Å; Q309-M313 WeakPolarHBondContact O-CG 3.29Å; Q309-M313 PolarHBondContact O-N 3.21Å; Q309-H328 PolarHBondContact OE1-NE2 2.84Å; Q309-H328 VanDerWaalsContact OE1-NE2 3.12Å
310L96.1Very high96.2Very high1 Ų17.6 Ų7.61%0.0054%0.04CC..Hα-helixtrans-67.2-35.2174.1-66.8158.5000111.4Q226 L233 V253 V254 I257 T306 S307 L312 M313 M314Q226-L310 PolarHBondContact NE2-O 3.04Å; L233-L310 HydrophobicContact CD1-CD1 4.37Å; V253-L310 HydrophobicContact CB-CD1 3.83Å; V253-L310 HydrophobicContact CB-CD2 4.5Å; V253-L310 HydrophobicContact CG1-CD1 3.1Å; V253-L310 HydrophobicContact CG1-CD2 4.25Å; V253-L310 HydrophobicContact CG1-CG 4.28Å; V254-L310 HydrophobicContact CG2-CD2 4.18Å; I257-L310 HydrophobicContact CD1-CB 3.78Å; I257-L310 HydrophobicContact CD1-CD2 3.32Å; I257-L310 HydrophobicContact CD1-CG 4.13Å; I257-L310 WeakPolarHBondContact CD1-O 3.28Å; T306-L310 WeakPolarHBondContact O-CD1 3.33Å; T306-L310 WeakPolarHBondContact O-CG 3.34Å; T306-L310 PolarHBondContact O-N 2.88Å; S307-L310 PolarHBondContact O-N 3.16Å; L310-L312 VanDerWaalsContact C-N 3.32Å; L310-M313 HydrophobicContact CD2-SD 3.98Å; L310-M313 PolarHBondContact O-N 3.11Å; L310-M314 PolarHBondContact O-N 2.87Å
311G97.3Very high96.2Very high0 Ų07 Ų70%04%0.038CC..Hα-helixtrans-62.9-38.7167.600000112.2G281 T284 S307 S308 Q309 M314 V315G281-G311 WeakPolarHBondContact CA-O 3.39Å; T284-G311 VanDerWaalsContact OG1-CA 3.23Å; T284-G311 WeakPolarHBondContact OG1-CA 3.14Å; S307-G311 PolarHBondContact O-N 3.11Å; S308-G311 PolarHBondContact O-N 2.9Å; Q309-G311 VanDerWaalsContact C-N 3.31Å; G311-M314 WeakPolarHBondContact O-CB 2.98Å; G311-M314 PolarHBondContact O-N 3.47Å; G311-M314 VanDerWaalsContact O-N 3.13Å; G311-V315 WeakPolarHBondContact O-CG2 3.17Å; G311-V315 PolarHBondContact O-N 3.31Å
312L97.3Very high96Very high8 Ų87 Ų74%0.0424%0.039CC..Hα-helixtrans-64.8-41.2176.1-17672.9000110.8T285 S308 Q309 L310 M314 V315 T316 K392 I395T285-L312 HydrophobicContact CG2-CB 4.13Å; S308-L312 PolarHBondContact O-N 3.1Å; S308-L312 VanDerWaalsContact O-N 3.1Å; Q309-L312 WeakPolarHBondContact O-CA 3.43Å; Q309-L312 VanDerWaalsContact O-CB 3.32Å; Q309-L312 WeakPolarHBondContact O-CB 3.34Å; Q309-L312 PolarHBondContact O-N 2.65Å; Q309-L312 VanDerWaalsContact O-N 3.08Å; L310-L312 VanDerWaalsContact C-N 3.32Å; L312-M314 VanDerWaalsContact C-N 3.28Å; L312-M314 PolarHBondContact O-N 2.63Å; L312-V315 WeakPolarHBondContact O-CB 3.41Å; L312-V315 PolarHBondContact O-N 3.36Å; L312-T316 WeakPolarHBondContact O-CG2 3.08Å; L312-T316 PolarHBondContact O-N 3.17Å; L312-K392 HydrophobicContact CD2-CG 3.89Å; L312-I395 HydrophobicContact CD1-CG2 3.87Å; L312-I395 HydrophobicContact CD2-CD1 4.48Å; L312-I395 HydrophobicContact CD2-CG2 4.31Å; L312-I395 HydrophobicContact CG-CG2 4.02Å
313M97.6Very high95.9Very high0 Ų09.6 Ų9.60%05%0.05CC..Hα-helixtrans-61.7-37.9172.5-63.3168.9-169.800111.4I257 Q309 L310 T316 I317 H328 I329 H332I257-M313 HydrophobicContact CD1-CB 3.86Å; I257-M313 HydrophobicContact CD1-SD 3.89Å; I257-M313 HydrophobicContact CG1-CB 4.5Å; I257-M313 HydrophobicContact CG2-CB 3.88Å; Q309-M313 VanDerWaalsContact O-CG 3.32Å; Q309-M313 WeakPolarHBondContact O-CG 3.29Å; Q309-M313 PolarHBondContact O-N 3.21Å; L310-M313 HydrophobicContact CD2-SD 3.98Å; L310-M313 PolarHBondContact O-N 3.11Å; M313-T316 VanDerWaalsContact C-OG1 3.29Å; M313-T316 WeakPolarHBondContact CA-OG1 3.44Å; M313-T316 PolarHBondContact O-N 2.64Å; M313-T316 PolarHBondContact O-OG1 3.44Å; M313-I317 WeakPolarHBondContact O-CG1 3.42Å; M313-I317 PolarHBondContact O-N 3.39Å; M313-H328 HydrophobicContact CE-CB 4.46Å; M313-H328 WeakPolarHBondContact CE-CD2 3.27Å; M313-H328 HydrophobicContact CG-CB 4.4Å; M313-I329 HydrophobicContact CE-CG1 4.04Å; M313-I329 HydrophobicContact CG-CG1 4.49Å; M313-I329 HydrophobicContact SD-CD1 4.43Å; M313-I329 HydrophobicContact SD-CG1 3.47Å; M313-I329 WeakPolarHBondContact SD-CG1 3.42Å; M313-H332 HydrophobicContact CE-CB 3.67Å
314M96.9Very high95.8Very high0 Ų09.8 Ų9.80%05%0.051CC..Hα-helixtrans-66.1-39.1175.7-168.864.9165.100112.1L217 L260 T277 L280 L310 G311 L312 T316 I317 G318L217-M314 HydrophobicContact CG-CE 4.18Å; L260-M314 HydrophobicContact CD1-CE 3.51Å; L260-M314 HydrophobicContact CD1-SD 3.42Å; L260-M314 WeakPolarHBondContact CD1-SD 3.42Å; T277-M314 HydrophobicContact CG2-CE 3.5Å; T277-M314 HydrophobicContact CG2-SD 4.35Å; T277-M314 WeakPolarHBondContact O-CG 3.44Å; L280-M314 HydrophobicContact CD2-CE 3.8Å; L280-M314 HydrophobicContact CD2-CG 4.2Å; L310-M314 PolarHBondContact O-N 2.87Å; G311-M314 WeakPolarHBondContact O-CB 2.98Å; G311-M314 PolarHBondContact O-N 3.47Å; G311-M314 VanDerWaalsContact O-N 3.13Å; L312-M314 VanDerWaalsContact C-N 3.28Å; L312-M314 PolarHBondContact O-N 2.63Å; M314-T316 VanDerWaalsContact C-N 3.32Å; M314-T316 PolarHBondContact O-N 3.49Å; M314-I317 PolarHBondContact O-N 3.46Å; M314-G318 PolarHBondContact O-N 3.26Å; M314-G318 VanDerWaalsContact O-N 3.08Å
315V97.3Very high95.8Very high4 Ų49.6 Ų9.62%0.0245%0.051CC..Hα-helixtrans-58.8-43.4172.1167.10000110.9L278 A282 G311 L312 I317 G318 I319 T412L278-V315 HydrophobicContact CD1-CB 4.44Å; L278-V315 HydrophobicContact CD1-CG1 3.79Å; A282-V315 HydrophobicContact CB-CG2 4.15Å; A282-V315 VanDerWaalsContact N-CG2 3.33Å; G311-V315 WeakPolarHBondContact O-CG2 3.17Å; G311-V315 PolarHBondContact O-N 3.31Å; L312-V315 WeakPolarHBondContact O-CB 3.41Å; L312-V315 PolarHBondContact O-N 3.36Å; V315-I317 VanDerWaalsContact C-N 3.33Å; V315-I317 PolarHBondContact O-N 2.93Å; V315-G318 CarbonylContact O-C 3.59Å; V315-G318 WeakPolarHBondContact O-CA 3.37Å; V315-G318 PolarHBondContact O-N 3.01Å; V315-I319 HydrophobicContact CG1-CD1 3.81Å; V315-I319 WeakPolarHBondContact O-CG1 3.37Å; V315-I319 PolarHBondContact O-N 3.4Å; V315-I319 VanDerWaalsContact O-N 3.09Å; V315-T412 HydrophobicContact CB-CG2 4.4Å; V315-T412 HydrophobicContact CG1-CG2 4.01Å; V315-T412 HydrophobicContact CG2-CG2 3.71Å
316T96Very high95.7Very high0 Ų09.7 Ų9.70%05%0.051CC..Hα-helixtrans-65.5-34.7-179.653.20000113.8L312 M313 M314 G318 I319 Q321 A325 I395L312-T316 WeakPolarHBondContact O-CG2 3.08Å; L312-T316 PolarHBondContact O-N 3.17Å; M313-T316 VanDerWaalsContact C-OG1 3.29Å; M313-T316 WeakPolarHBondContact CA-OG1 3.44Å; M313-T316 PolarHBondContact O-N 2.64Å; M313-T316 PolarHBondContact O-OG1 3.44Å; M314-T316 VanDerWaalsContact C-N 3.32Å; M314-T316 PolarHBondContact O-N 3.49Å; T316-G318 VanDerWaalsContact C-N 3.32Å; T316-I319 PolarHBondContact O-N 3.25Å; T316-Q321 PolarHBondContact O-N 2.56Å; T316-A325 WeakPolarHBondContact OG1-CA 3.26Å; T316-A325 WeakPolarHBondContact OG1-CB 3.33Å; T316-I395 HydrophobicContact CG2-CB 3.81Å; T316-I395 HydrophobicContact CG2-CD1 3.63Å; T316-I395 HydrophobicContact CG2-CG1 3.38Å; T316-I395 HydrophobicContact CG2-CG2 3.2Å
317I95.4Very high95.7Very high6 Ų610.3 Ų10.33%0.0315%0.054CC..Hα-helixtrans-66.5-39.6172.2-64.4171.5000109.9I257 L260 I261 M313 M314 V315 I319 N320 A325I257-I317 HydrophobicContact CG2-CD1 3.58Å; L260-I317 HydrophobicContact CB-CD1 3.88Å; L260-I317 HydrophobicContact CB-CG2 4.36Å; I261-I317 HydrophobicContact CD1-CD1 4.46Å; I261-I317 HydrophobicContact CG1-CD1 3.84Å; I261-I317 HydrophobicContact CG1-CG1 4.23Å; M313-I317 WeakPolarHBondContact O-CG1 3.42Å; M313-I317 PolarHBondContact O-N 3.39Å; M314-I317 PolarHBondContact O-N 3.46Å; V315-I317 VanDerWaalsContact C-N 3.33Å; V315-I317 PolarHBondContact O-N 2.93Å; I317-I319 PolarHBondContact O-N 3.41Å; I317-N320 PolarHBondContact O-N 2.89Å; I317-A325 HydrophobicContact CD1-CB 4.49Å; I317-A325 HydrophobicContact CG1-CB 3.9Å
318G94.9Very high95.7Very high8 Ų810 Ų108%0.0825%0.052CC..Hα-helixtrans-64.5-20.9175.400000115Q274 T277 M314 V315 T316 N320Q274-G318 WeakPolarHBondContact CB-O 3.15Å; Q274-G318 WeakPolarHBondContact O-CA 3.47Å; T277-G318 VanDerWaalsContact OG1-CA 3.27Å; T277-G318 WeakPolarHBondContact OG1-CA 3.1Å; M314-G318 PolarHBondContact O-N 3.26Å; M314-G318 VanDerWaalsContact O-N 3.08Å; V315-G318 CarbonylContact O-C 3.59Å; V315-G318 WeakPolarHBondContact O-CA 3.37Å; V315-G318 PolarHBondContact O-N 3.01Å; T316-G318 VanDerWaalsContact C-N 3.32Å; G318-N320 VanDerWaalsContact C-N 3.29Å
319I93.9Very high95.6Very high20 Ų209.9 Ų9.910%0.1035%0.051CC..THydrogen-bonded Turntrans-91.16.4174.1-57.4159.6000111.4L278 V315 T316 I317 Q321 A399 S402 T404L278-I319 HydrophobicContact CD1-CD1 4.13Å; L278-I319 HydrophobicContact CD1-CG1 3.63Å; V315-I319 HydrophobicContact CG1-CD1 3.81Å; V315-I319 WeakPolarHBondContact O-CG1 3.37Å; V315-I319 PolarHBondContact O-N 3.4Å; V315-I319 VanDerWaalsContact O-N 3.09Å; T316-I319 PolarHBondContact O-N 3.25Å; I317-I319 PolarHBondContact O-N 3.41Å; I319-Q321 HydrophobicContact CG2-CG 4.48Å; I319-A399 HydrophobicContact CD1-CB 3.51Å; I319-S402 WeakPolarHBondContact CG2-OG 3.36Å; I319-T404 HydrophobicContact CD1-CG2 4.24Å; I319-T404 HydrophobicContact CG1-CG2 3.66Å; I319-T404 HydrophobicContact CG2-CG2 4.31Å
320N93.3Very high95.6Very high39 Ų399.8 Ų9.821%0.2095%0.051CC..THydrogen-bonded Turntrans64.834.5-177.1-157.835.1000113.5H264 E268 I317 G318 P322H264-N320 PolarHBondContact CD2-OD1 2.9Å; H264-N320 PolarHBondContact NE2-OD1 3.02Å; E268-N320 PolarHBondContact OE1-ND2 2.88Å; I317-N320 PolarHBondContact O-N 2.89Å; G318-N320 VanDerWaalsContact C-N 3.29Å; N320-P322 VanDerWaalsContact C-CD 3.49Å; N320-P322 WeakPolarHBondContact O-CD 3.47Å
321Q93.8Very high95.5Very high42 Ų429.8 Ų9.820%0.1965%0.051CC..  trans-12169.2176.9-66.2-63.3-32.900112.2T316 I319 H323 L324 A325 S476T316-Q321 PolarHBondContact O-N 2.56Å; I319-Q321 HydrophobicContact CG2-CG 4.48Å; Q321-H323 PolarHBondContact O-N 3Å; Q321-L324 HydrophobicContact CB-CB 4.28Å; Q321-L324 HydrophobicContact CB-CD1 4.08Å; Q321-L324 HydrophobicContact CB-CG 4.49Å; Q321-L324 HydrophobicContact CG-CD1 4.33Å; Q321-L324 PolarHBondContact O-N 3.21Å; Q321-A325 PolarHBondContact O-N 3.37Å; Q321-S476 PolarHBondContact OE1-OG 3.38Å
322P93.9Very high95.5Very high3 Ų39.8 Ų9.82%0.0195%0.051CC..Hα-helixtrans-68.2-33.6-175.133-42.1000113.4I261 H264 N320 L324 A325 F326I261-P322 HydrophobicContact CG1-CB 4.41Å; I261-P322 HydrophobicContact CG2-CB 4.31Å; H264-P322 HydrophobicContact CB-CB 3.94Å; H264-P322 HydrophobicContact CB-CG 4.07Å; H264-P322 WeakPolarHBondContact CD2-CG 3.37Å; H264-P322 VanDerWaalsContact CG-CG 3.41Å; N320-P322 VanDerWaalsContact C-CD 3.49Å; N320-P322 WeakPolarHBondContact O-CD 3.47Å; P322-L324 VanDerWaalsContact C-N 3.34Å; P322-L324 PolarHBondContact O-N 2.91Å; P322-A325 WeakPolarHBondContact O-CB 3.38Å; P322-A325 PolarHBondContact O-N 2.86Å; P322-F326 WeakPolarHBondContact O-CB 3.33Å; P322-F326 PolarHBondContact O-N 3.42Å
323H94Very high95.4Very high54 Ų549.4 Ų9.425%0.255%0.049CC..Hα-helixtrans-67.5-36.2-179.5-63.7-78.6000111.5Y84 F85 Q321 F326 L327 A475Y84-H323 AromaticContact CD1-ND1 3.88Å; Y84-H323 AromaticContact CE1-ND1 3.8Å; F85-H323 AromaticContact CE1-ND1 3.9Å; F85-H323 AromaticContact CZ-CE1 3.82Å; F85-H323 AromaticContact CZ-ND1 3.93Å; Q321-H323 PolarHBondContact O-N 3Å; H323-F326 PolarHBondContact O-N 3.39Å; H323-L327 WeakPolarHBondContact O-CB 3.28Å; H323-L327 PolarHBondContact O-N 2.96Å; H323-A475 HydrophobicContact CB-CB 4.45Å
324L94.3Very high95.4Very high4 Ų410 Ų102%0.0215%0.052CC..Hα-helixtrans-67.5-41.1172.2-74.5177.9000111.7Q321 P322 F326 L327 H328 H394 I395 T398 F478Q321-L324 HydrophobicContact CB-CB 4.28Å; Q321-L324 HydrophobicContact CB-CD1 4.08Å; Q321-L324 HydrophobicContact CB-CG 4.49Å; Q321-L324 HydrophobicContact CG-CD1 4.33Å; Q321-L324 PolarHBondContact O-N 3.21Å; P322-L324 VanDerWaalsContact C-N 3.34Å; P322-L324 PolarHBondContact O-N 2.91Å; L324-F326 VanDerWaalsContact C-N 3.27Å; L324-F326 PolarHBondContact O-N 3.23Å; L324-L327 PolarHBondContact O-N 3.38Å; L324-H328 PolarHBondContact O-N 3.42Å; L324-H394 HydrophobicContact CD2-CB 4.08Å; L324-I395 HydrophobicContact CB-CG1 4.32Å; L324-T398 HydrophobicContact CD1-CG2 3.81Å; L324-F478 HydrophobicContact CD2-CE1 4.15Å
325A95.9Very high95.3Very high0 Ų010.1 Ų10.10%05%0.052CC..Hα-helixtrans-56.3-45.7173.100000111I261 T316 I317 Q321 P322 H328 I329I261-A325 HydrophobicContact CD1-CB 4.02Å; I261-A325 HydrophobicContact CG1-CB 4.36Å; T316-A325 WeakPolarHBondContact OG1-CA 3.26Å; T316-A325 WeakPolarHBondContact OG1-CB 3.33Å; I317-A325 HydrophobicContact CD1-CB 4.49Å; I317-A325 HydrophobicContact CG1-CB 3.9Å; Q321-A325 PolarHBondContact O-N 3.37Å; P322-A325 WeakPolarHBondContact O-CB 3.38Å; P322-A325 PolarHBondContact O-N 2.86Å; A325-H328 WeakPolarHBondContact O-CB 3.25Å; A325-H328 PolarHBondContact O-N 3.33Å; A325-I329 WeakPolarHBondContact O-CG1 3.29Å; A325-I329 PolarHBondContact O-N 3.5Å
326F95.7Very high95.2Very high1 Ų19.9 Ų9.90%0.0045%0.051CC..Hα-helixtrans-67.2-39.6178.3-177.8-98.8000113.5Y84 F85 M88 F89 F258 I261 P322 H323 L324 H328 I329 C330Y84-F326 HydrophobicContact CD1-CD1 4.26Å; Y84-F326 HydrophobicContact CD1-CE1 4.38Å; Y84-F326 AromaticContact CE1-CD1 3.45Å; Y84-F326 HydrophobicContact CE1-CD1 3.45Å; Y84-F326 VanDerWaalsContact CE1-CD1 3.45Å; Y84-F326 AromaticContact CE1-CE1 3.8Å; Y84-F326 HydrophobicContact CE1-CE1 3.8Å; Y84-F326 HydrophobicContact CE1-CG 4.34Å; F85-F326 HydrophobicContact CB-CD2 4.43Å; F85-F326 HydrophobicContact CB-CE2 4.08Å; F85-F326 HydrophobicContact CB-CZ 4.34Å; F85-F326 HydrophobicContact CD1-CB 4.02Å; F85-F326 AromaticContact CD1-CD1 3.93Å; F85-F326 HydrophobicContact CD1-CD1 3.93Å; F85-F326 AromaticContact CD1-CD2 3.64Å; F85-F326 HydrophobicContact CD1-CD2 3.64Å; F85-F326 HydrophobicContact CD1-CE1 4.31Å; F85-F326 HydrophobicContact CD1-CE2 4.06Å; F85-F326 AromaticContact CD1-CG 3.56Å; F85-F326 HydrophobicContact CD1-CG 3.56Å; F85-F326 HydrophobicContact CD1-CZ 4.38Å; F85-F326 HydrophobicContact CE1-CB 3.99Å; F85-F326 HydrophobicContact CE1-CD1 4.46Å; F85-F326 HydrophobicContact CE1-CD2 4.43Å; F85-F326 HydrophobicContact CE1-CG 4.03Å; F85-F326 HydrophobicContact CG-CD2 4.46Å; F85-F326 WeakPolarHBondContact O-CE2 3.3Å; F85-F326 WeakPolarHBondContact O-CZ 3.49Å; M88-F326 HydrophobicContact CB-CE1 3.5Å; M88-F326 HydrophobicContact CB-CZ 3.73Å; M88-F326 HydrophobicContact CG-CE1 4.14Å; F89-F326 HydrophobicContact CB-CE2 4.03Å; F89-F326 HydrophobicContact CB-CZ 3.91Å; F89-F326 HydrophobicContact CD2-CE2 4.39Å; F258-F326 HydrophobicContact CD2-CD2 4.46Å; F258-F326 HydrophobicContact CD2-CE2 4.33Å; F258-F326 HydrophobicContact CE2-CE2 4.14Å; I261-F326 HydrophobicContact CD1-CB 4.09Å; P322-F326 WeakPolarHBondContact O-CB 3.33Å; P322-F326 PolarHBondContact O-N 3.42Å; H323-F326 PolarHBondContact O-N 3.39Å; L324-F326 VanDerWaalsContact C-N 3.27Å; L324-F326 PolarHBondContact O-N 3.23Å; F326-H328 VanDerWaalsContact C-N 3.27Å; F326-H328 PolarHBondContact O-N 3.17Å; F326-I329 WeakPolarHBondContact O-CB 3.37Å; F326-I329 PolarHBondContact O-N 3.18Å; F326-C330 VanDerWaalsContact CE1-SG 3.57Å; F326-C330 PolarHBondContact O-N 3.38Å; F326-C330 PolarHBondContact O-SG 2.78Å; F326-C330 VanDerWaalsContact O-SG 3.36Å
327L94.9Very high95.3Very high13 Ų139.9 Ų9.97%0.0685%0.051CC..Hα-helixtrans-61.9-39.8173.4-165.4155.2000110.7H323 L324 C330 T331 T469 I472H323-L327 WeakPolarHBondContact O-CB 3.28Å; H323-L327 PolarHBondContact O-N 2.96Å; L324-L327 PolarHBondContact O-N 3.38Å; L327-C330 PolarHBondContact O-N 3.33Å; L327-T331 HydrophobicContact CD2-CG2 4.19Å; L327-T331 WeakPolarHBondContact O-CG2 3.33Å; L327-T331 PolarHBondContact O-N 2.95Å; L327-T331 PolarHBondContact O-OG1 3.49Å; L327-T469 HydrophobicContact CD1-CG2 3.69Å; L327-T469 HydrophobicContact CD2-CG2 3.91Å; L327-T469 HydrophobicContact CG-CG2 4.23Å; L327-I472 HydrophobicContact CD1-CD1 3.62Å; L327-I472 HydrophobicContact CG-CD1 4.21Å
328H96.4Very high95.3Very high1 Ų19.6 Ų9.61%0.0055%0.049CC..Hα-helixtrans-64.8-40.5173.1-163.557.2000112.2Q309 M313 L324 A325 F326 C330 T331 H332 S391 I395Q309-H328 PolarHBondContact OE1-NE2 2.84Å; Q309-H328 VanDerWaalsContact OE1-NE2 3.12Å; M313-H328 HydrophobicContact CE-CB 4.46Å; M313-H328 WeakPolarHBondContact CE-CD2 3.27Å; M313-H328 HydrophobicContact CG-CB 4.4Å; L324-H328 PolarHBondContact O-N 3.42Å; A325-H328 WeakPolarHBondContact O-CB 3.25Å; A325-H328 PolarHBondContact O-N 3.33Å; F326-H328 VanDerWaalsContact C-N 3.27Å; F326-H328 PolarHBondContact O-N 3.17Å; H328-C330 VanDerWaalsContact C-N 3.32Å; H328-C330 PolarHBondContact O-N 2.84Å; H328-T331 WeakPolarHBondContact CA-OG1 3.45Å; H328-T331 PolarHBondContact O-N 2.85Å; H328-T331 PolarHBondContact O-OG1 3.22Å; H328-T331 VanDerWaalsContact O-OG1 3.09Å; H328-H332 WeakPolarHBondContact O-CA 3.43Å; H328-H332 WeakPolarHBondContact O-CB 3.48Å; H328-H332 PolarHBondContact O-N 3.3Å; H328-S391 WeakPolarHBondContact ND1-CB 3.23Å; H328-S391 PolarHBondContact ND1-OG 3.25Å; H328-I395 HydrophobicContact CB-CD1 3.78Å
329I96.4Very high95.4Very high1 Ų19.2 Ų9.21%0.0055%0.046CC..Hα-helixtrans-54.1-49.4172.6-73.3166.3000111F89 V254 I257 I261 M313 A325 F326 H332 A333F89-I329 HydrophobicContact CD2-CG2 4.13Å; F89-I329 HydrophobicContact CE2-CG2 3.95Å; V254-I329 HydrophobicContact CB-CG2 4.47Å; V254-I329 HydrophobicContact CG1-CB 4.21Å; V254-I329 HydrophobicContact CG1-CD1 3.69Å; V254-I329 HydrophobicContact CG1-CG1 3.82Å; V254-I329 HydrophobicContact CG1-CG2 3.35Å; V254-I329 HydrophobicContact CG2-CG2 4.31Å; I257-I329 HydrophobicContact CB-CD1 4.44Å; I257-I329 HydrophobicContact CG2-CD1 3.85Å; I261-I329 HydrophobicContact CD1-CD1 3.55Å; M313-I329 HydrophobicContact CE-CG1 4.04Å; M313-I329 HydrophobicContact CG-CG1 4.49Å; M313-I329 HydrophobicContact SD-CD1 4.43Å; M313-I329 HydrophobicContact SD-CG1 3.47Å; M313-I329 WeakPolarHBondContact SD-CG1 3.42Å; A325-I329 WeakPolarHBondContact O-CG1 3.29Å; A325-I329 PolarHBondContact O-N 3.5Å; F326-I329 WeakPolarHBondContact O-CB 3.37Å; F326-I329 PolarHBondContact O-N 3.18Å; I329-H332 PolarHBondContact O-N 2.86Å; I329-A333 PolarHBondContact O-N 3.41Å; I329-A333 VanDerWaalsContact O-N 3.12Å
330C95.6Very high95.6Very high1 Ų18.3 Ų8.31%0.0074%0.041CC..Hα-helixtrans-64.4-44.9-177.2-65.30000111.9V92 F326 L327 H328 F334 I468V92-C330 HydrophobicContact CG2-CB 4.31Å; F326-C330 VanDerWaalsContact CE1-SG 3.57Å; F326-C330 PolarHBondContact O-N 3.38Å; F326-C330 PolarHBondContact O-SG 2.78Å; F326-C330 VanDerWaalsContact O-SG 3.36Å; L327-C330 PolarHBondContact O-N 3.33Å; H328-C330 VanDerWaalsContact C-N 3.32Å; H328-C330 PolarHBondContact O-N 2.84Å; C330-F334 WeakPolarHBondContact O-CD2 3.32Å; C330-F334 WeakPolarHBondContact O-CE2 3.49Å; C330-I468 HydrophobicContact CB-CD1 4.21Å
331T95.6Very high95.7Very high0 Ų06.4 Ų6.40%03%0.031CC..Hα-helixtrans-69.4-40.2178.652.30000112.2L327 H328 A333 F334 F335 S391L327-T331 HydrophobicContact CD2-CG2 4.19Å; L327-T331 WeakPolarHBondContact O-CG2 3.33Å; L327-T331 PolarHBondContact O-N 2.95Å; L327-T331 PolarHBondContact O-OG1 3.49Å; H328-T331 WeakPolarHBondContact CA-OG1 3.45Å; H328-T331 PolarHBondContact O-N 2.85Å; H328-T331 PolarHBondContact O-OG1 3.22Å; H328-T331 VanDerWaalsContact O-OG1 3.09Å; T331-A333 VanDerWaalsContact C-N 3.31Å; T331-A333 PolarHBondContact O-N 3.4Å; T331-F334 PolarHBondContact O-N 2.74Å; T331-F335 WeakPolarHBondContact O-CD1 3.21Å; T331-F335 WeakPolarHBondContact O-CE1 3.48Å; T331-S391 PolarHBondContact OG1-OG 2.93Å; T331-S391 VanDerWaalsContact OG1-OG 3.13Å
332H96.3Very high95.9Very high0 Ų04.4 Ų4.40%02%0.021CC..Hα-helixtrans-57.5-39.9176.6176.7-93000113.4S249 M313 H328 I329 F334 F335 K336S249-H332 PolarHBondContact O-ND1 3.13Å; M313-H332 HydrophobicContact CE-CB 3.67Å; H328-H332 WeakPolarHBondContact O-CA 3.43Å; H328-H332 WeakPolarHBondContact O-CB 3.48Å; H328-H332 PolarHBondContact O-N 3.3Å; I329-H332 PolarHBondContact O-N 2.86Å; H332-F334 VanDerWaalsContact C-N 3.29Å; H332-F334 PolarHBondContact O-N 2.86Å; H332-F335 VanDerWaalsContact CA-CE1 3.42Å; H332-F335 VanDerWaalsContact CA-CZ 3.42Å; H332-F335 HydrophobicContact CB-CE1 4.37Å; H332-F335 HydrophobicContact CB-CE2 4.46Å; H332-F335 HydrophobicContact CB-CZ 3.95Å; H332-F335 AromaticContact CD2-CE2 3.86Å; H332-F335 AromaticContact CD2-CZ 4Å; H332-K336 VanDerWaalsContact CD2-CE 3.5Å; H332-K336 WeakPolarHBondContact CD2-CE 3.33Å; H332-K336 VanDerWaalsContact CE1-CG 3.43Å; H332-K336 WeakPolarHBondContact CE1-CG 3.44Å; H332-K336 WeakPolarHBondContact NE2-CE 3.07Å; H332-K336 VanDerWaalsContact NE2-CG 3.25Å; H332-K336 WeakPolarHBondContact NE2-CG 3.48Å; H332-K336 WeakPolarHBondContact O-CB 3.16Å; H332-K336 WeakPolarHBondContact O-CG 3.29Å; H332-K336 PolarHBondContact O-N 3.03Å
333A96.3Very high96Very high1 Ų14.3 Ų4.31%0.0082%0.02CC..Hα-helixtrans-54-44178.900000112.5V92 V96 I329 T331 A337V92-A333 HydrophobicContact CG1-CB 3.71Å; V96-A333 HydrophobicContact CG2-CB 4.23Å; I329-A333 PolarHBondContact O-N 3.41Å; I329-A333 VanDerWaalsContact O-N 3.12Å; T331-A333 VanDerWaalsContact C-N 3.31Å; T331-A333 PolarHBondContact O-N 3.4Å; A333-A337 WeakPolarHBondContact O-CB 3.42Å; A333-A337 PolarHBondContact O-N 3.1Å; A333-A337 VanDerWaalsContact O-N 3.16Å
334F95.9Very high96.1Very high13 Ų131.7 Ų1.76%0.0571%0.009CC..Hα-helixtrans-66.9-57.8-177.8-66-82000112.6V92 F95 C330 T331 H332 K336 A337 M338 L457 A464 I468V92-F334 HydrophobicContact CG1-CE2 4.03Å; V92-F334 HydrophobicContact CG1-CZ 4.24Å; V92-F334 HydrophobicContact CG2-CE2 4.14Å; V92-F334 HydrophobicContact CG2-CZ 4.17Å; F95-F334 HydrophobicContact CD1-CD1 4.01Å; F95-F334 AromaticContact CD1-CE1 3.44Å; F95-F334 HydrophobicContact CD1-CE1 3.44Å; F95-F334 VanDerWaalsContact CD1-CE1 3.44Å; F95-F334 HydrophobicContact CD1-CZ 4.49Å; F95-F334 HydrophobicContact CE1-CD1 4.04Å; F95-F334 AromaticContact CE1-CE1 3.7Å; F95-F334 HydrophobicContact CE1-CE1 3.7Å; F95-F334 HydrophobicContact CG-CE1 4.32Å; C330-F334 WeakPolarHBondContact O-CD2 3.32Å; C330-F334 WeakPolarHBondContact O-CE2 3.49Å; T331-F334 PolarHBondContact O-N 2.74Å; H332-F334 VanDerWaalsContact C-N 3.29Å; H332-F334 PolarHBondContact O-N 2.86Å; F334-K336 PolarHBondContact O-N 2.86Å; F334-A337 PolarHBondContact O-N 2.89Å; F334-M338 WeakPolarHBondContact O-CB 3.2Å; F334-M338 PolarHBondContact O-N 2.97Å; F334-L457 HydrophobicContact CD1-CD2 4.36Å; F334-A464 HydrophobicContact CD2-CB 4Å; F334-A464 HydrophobicContact CE1-CB 4.24Å; F334-A464 HydrophobicContact CE2-CB 3.61Å; F334-A464 HydrophobicContact CG-CB 4.49Å; F334-A464 HydrophobicContact CZ-CB 3.74Å; F334-I468 HydrophobicContact CE2-CD1 4.39Å
335F95.4Very high96.2Very high1 Ų11.5 Ų1.50%0.0041%0.008CC..Hα-helixtrans-72-30.2-173.159.4-106.9000112.6T331 H332 L339 A379 L380T331-F335 WeakPolarHBondContact O-CD1 3.21Å; T331-F335 WeakPolarHBondContact O-CE1 3.48Å; H332-F335 VanDerWaalsContact CA-CE1 3.42Å; H332-F335 VanDerWaalsContact CA-CZ 3.42Å; H332-F335 HydrophobicContact CB-CE1 4.37Å; H332-F335 HydrophobicContact CB-CE2 4.46Å; H332-F335 HydrophobicContact CB-CZ 3.95Å; H332-F335 AromaticContact CD2-CE2 3.86Å; H332-F335 AromaticContact CD2-CZ 4Å; F335-L339 VanDerWaalsContact O-CG 3.29Å; F335-L339 WeakPolarHBondContact O-CG 3.34Å; F335-L339 PolarHBondContact O-N 3.3Å; F335-A379 HydrophobicContact CB-CB 3.97Å; F335-A379 HydrophobicContact CD1-CB 4.21Å; F335-A379 HydrophobicContact CG-CB 4.23Å; F335-L380 HydrophobicContact CD2-CB 4.11Å; F335-L380 HydrophobicContact CE2-CB 4.1Å; F335-L380 HydrophobicContact CE2-CG 4.31Å
336K96.5Very high96.2Very high0 Ų01.5 Ų1.50%01%0.008CC..Hα-helixtrans-71.8-44174.3-69.8-57.6-165.3-174.60113.2S305 T306 H332 F334 M338 L339 F340 L380S305-K336 VanDerWaalsContact CB-NZ 3.3Å; S305-K336 PolarHBondContact O-NZ 3.08Å; S305-K336 PolarHBondContact OG-NZ 2.98Å; T306-K336 HydrophobicContact CG2-CD 3.76Å; T306-K336 HydrophobicContact CG2-CG 4Å; H332-K336 VanDerWaalsContact CD2-CE 3.5Å; H332-K336 WeakPolarHBondContact CD2-CE 3.33Å; H332-K336 VanDerWaalsContact CE1-CG 3.43Å; H332-K336 WeakPolarHBondContact CE1-CG 3.44Å; H332-K336 WeakPolarHBondContact NE2-CE 3.07Å; H332-K336 VanDerWaalsContact NE2-CG 3.25Å; H332-K336 WeakPolarHBondContact NE2-CG 3.48Å; H332-K336 WeakPolarHBondContact O-CB 3.16Å; H332-K336 WeakPolarHBondContact O-CG 3.29Å; H332-K336 PolarHBondContact O-N 3.03Å; F334-K336 PolarHBondContact O-N 2.86Å; K336-M338 PolarHBondContact O-N 3.47Å; K336-L339 HydrophobicContact CD-CD1 4.32Å; K336-L339 PolarHBondContact O-N 3.39Å; K336-F340 WeakPolarHBondContact O-CD2 3.19Å; K336-F340 PolarHBondContact O-N 2.8Å; K336-L380 HydrophobicContact CD-CD1 4.39Å
337A96.3Very high96.3Very high0 Ų01.5 Ų1.50%01%0.007CC..Hα-helixtrans-59.5-39.6175.300000110.3V96 A333 F334 F340 M341 L457V96-A337 HydrophobicContact CG1-CB 3.61Å; A333-A337 WeakPolarHBondContact O-CB 3.42Å; A333-A337 PolarHBondContact O-N 3.1Å; A333-A337 VanDerWaalsContact O-N 3.16Å; F334-A337 PolarHBondContact O-N 2.89Å; A337-F340 PolarHBondContact O-N 3.46Å; A337-M341 WeakPolarHBondContact O-CG 3.35Å; A337-M341 PolarHBondContact O-N 3.43Å; A337-L457 HydrophobicContact CB-CD1 3.54Å
338M96.5Very high96.3Very high0 Ų03.8 Ų3.80%02%0.018CC..Hα-helixtrans-60.8-48173.6-171.8172.660.200112.6F334 K336 F340 M341 C342 S372 I375 L457 A458 S461F334-M338 WeakPolarHBondContact O-CB 3.2Å; F334-M338 PolarHBondContact O-N 2.97Å; K336-M338 PolarHBondContact O-N 3.47Å; M338-F340 VanDerWaalsContact C-N 3.33Å; M338-F340 PolarHBondContact O-N 3.46Å; M338-M341 PolarHBondContact O-N 3.34Å; M338-C342 WeakPolarHBondContact O-CB 3.46Å; M338-C342 PolarHBondContact O-N 3.39Å; M338-C342 PolarHBondContact O-SG 3.19Å; M338-S372 VanDerWaalsContact CE-O 3.26Å; M338-S372 WeakPolarHBondContact CE-O 3.32Å; M338-I375 HydrophobicContact CE-CB 4.4Å; M338-I375 HydrophobicContact CE-CG2 4.22Å; M338-L457 HydrophobicContact CB-CB 4.03Å; M338-L457 HydrophobicContact CB-CD1 4.18Å; M338-L457 HydrophobicContact CG-CB 4.39Å; M338-A458 VanDerWaalsContact SD-CA 3.51Å; M338-A458 HydrophobicContact SD-CB 3.79Å; M338-S461 WeakPolarHBondContact CE-OG 3.25Å
339L96.9Very high96.2Very high0 Ų04.1 Ų4.10%02%0.02CC..Hα-helixtrans-60.4-38.9177.5-72.8171.4000112.6V302 F335 K336 S343 L373 L380V302-L339 HydrophobicContact CG1-CB 4.19Å; V302-L339 HydrophobicContact CG2-CB 4.45Å; F335-L339 VanDerWaalsContact O-CG 3.29Å; F335-L339 WeakPolarHBondContact O-CG 3.34Å; F335-L339 PolarHBondContact O-N 3.3Å; K336-L339 HydrophobicContact CD-CD1 4.32Å; K336-L339 PolarHBondContact O-N 3.39Å; L339-S343 WeakPolarHBondContact O-CB 3.15Å; L339-S343 PolarHBondContact O-N 3.11Å; L339-S343 PolarHBondContact O-OG 3.41Å; L339-L373 HydrophobicContact CD2-CD1 3.86Å; L339-L373 HydrophobicContact CD2-CG 4.34Å; L339-L380 HydrophobicContact CD1-CD1 3.63Å
340F97.3Very high96.1Very high0 Ų04.2 Ų4.20%02%0.02CC..Hα-helixtrans-69.9-37.7175.6-81.9-67.7000113.1M237 A245 H248 V302 T306 K336 A337 M338 S343 G344M237-F340 HydrophobicContact CE-CE1 4.45Å; M237-F340 HydrophobicContact CE-CZ 4.3Å; M237-F340 HydrophobicContact SD-CE1 3.82Å; M237-F340 HydrophobicContact SD-CZ 4.22Å; A245-F340 HydrophobicContact CB-CB 3.52Å; A245-F340 HydrophobicContact CB-CG 4.31Å; H248-F340 HydrophobicContact CB-CE2 3.81Å; H248-F340 HydrophobicContact CB-CZ 4.06Å; V302-F340 HydrophobicContact CB-CD1 4.42Å; V302-F340 HydrophobicContact CB-CE1 3.93Å; V302-F340 HydrophobicContact CB-CE2 4.42Å; V302-F340 HydrophobicContact CB-CZ 3.94Å; V302-F340 HydrophobicContact CG1-CD1 4.1Å; V302-F340 HydrophobicContact CG1-CD2 3.78Å; V302-F340 HydrophobicContact CG1-CE1 3.79Å; V302-F340 HydrophobicContact CG1-CE2 3.45Å; V302-F340 VanDerWaalsContact CG1-CE2 3.45Å; V302-F340 HydrophobicContact CG1-CG 4.1Å; V302-F340 HydrophobicContact CG1-CZ 3.46Å; V302-F340 VanDerWaalsContact CG1-CZ 3.46Å; T306-F340 HydrophobicContact CG2-CE2 4.2Å; K336-F340 WeakPolarHBondContact O-CD2 3.19Å; K336-F340 PolarHBondContact O-N 2.8Å; A337-F340 PolarHBondContact O-N 3.46Å; M338-F340 VanDerWaalsContact C-N 3.33Å; M338-F340 PolarHBondContact O-N 3.46Å; F340-S343 WeakPolarHBondContact CA-OG 3.36Å; F340-S343 PolarHBondContact O-N 3.01Å; F340-S343 PolarHBondContact O-OG 2.91Å; F340-G344 PolarHBondContact O-N 3.39Å
341M96Very high96Very high0 Ų09.2 Ų9.20%05%0.047CC..Hα-helixtrans-70.1-38.8175.5-67.2-171-35.800112I100 F103 A337 M338 G344 S345 P453 I454 L457I100-M341 HydrophobicContact CG1-SD 4.46Å; F103-M341 HydrophobicContact CB-CG 4.44Å; F103-M341 HydrophobicContact CB-SD 3.85Å; F103-M341 HydrophobicContact CD1-CG 4.21Å; F103-M341 HydrophobicContact CD2-CB 4.28Å; F103-M341 HydrophobicContact CD2-CG 4.32Å; F103-M341 HydrophobicContact CE2-CB 4.34Å; F103-M341 HydrophobicContact CG-CG 4.07Å; F103-M341 HydrophobicContact CG-SD 4.11Å; A337-M341 WeakPolarHBondContact O-CG 3.35Å; A337-M341 PolarHBondContact O-N 3.43Å; M338-M341 PolarHBondContact O-N 3.34Å; M341-G344 PolarHBondContact O-N 3.35Å; M341-S345 PolarHBondContact O-N 3.24Å; M341-S345 PolarHBondContact O-OG 2.97Å; M341-P453 HydrophobicContact CE-CB 4.06Å; M341-P453 HydrophobicContact SD-CB 4.21Å; M341-I454 HydrophobicContact CB-CG1 4.35Å; M341-I454 HydrophobicContact CE-CG1 3.99Å; M341-L457 HydrophobicContact CE-CB 4.33Å; M341-L457 HydrophobicContact CE-CD1 3.21Å; M341-L457 HydrophobicContact CE-CG 3.81Å; M341-L457 HydrophobicContact SD-CD1 4.08Å
342C97.1Very high95.9Very high0 Ų014.1 Ų14.10%07%0.073CC..Hα-helixtrans-65.4-40.2174.3-61.50000111.5M338 S345 I346 S372 L373M338-C342 WeakPolarHBondContact O-CB 3.46Å; M338-C342 PolarHBondContact O-N 3.39Å; M338-C342 PolarHBondContact O-SG 3.19Å; C342-S345 PolarHBondContact O-N 2.79Å; C342-S345 PolarHBondContact O-OG 3Å; C342-I346 WeakPolarHBondContact O-CD1 3.32Å; C342-I346 VanDerWaalsContact O-CG1 3.23Å; C342-I346 WeakPolarHBondContact O-CG1 3.47Å; C342-I346 PolarHBondContact O-N 3.48Å; C342-I346 VanDerWaalsContact O-N 3.13Å; C342-S372 PolarHBondContact SG-OG 2.99Å; C342-L373 HydrophobicContact CB-CB 4.24Å; C342-L373 HydrophobicContact CB-CD1 3.68Å
343S96.5Very high95.8Very high0 Ų016.7 Ų16.70%09%0.085CC..Hα-helixtrans-66.9-39.8173.3590000111.3L339 F340 S345 I346 I347L339-S343 WeakPolarHBondContact O-CB 3.15Å; L339-S343 PolarHBondContact O-N 3.11Å; L339-S343 PolarHBondContact O-OG 3.41Å; F340-S343 WeakPolarHBondContact CA-OG 3.36Å; F340-S343 PolarHBondContact O-N 3.01Å; F340-S343 PolarHBondContact O-OG 2.91Å; S343-S345 PolarHBondContact O-N 3.5Å; S343-I346 PolarHBondContact O-N 2.93Å; S343-I347 WeakPolarHBondContact O-CB 3.5Å; S343-I347 WeakPolarHBondContact O-CD1 3.22Å; S343-I347 WeakPolarHBondContact O-CG1 3.33Å; S343-I347 PolarHBondContact O-N 3.35Å
344G96.2Very high95.8Very high0 Ų019.6 Ų19.60%010%0.098CC..Hα-helixtrans-61.6-38.217500000113.9F340 M341 H348F340-G344 PolarHBondContact O-N 3.39Å; M341-G344 PolarHBondContact O-N 3.35Å; G344-H348 WeakPolarHBondContact O-CB 3.42Å; G344-H348 PolarHBondContact O-N 2.6Å
345S96.7Very high95.8Very high0 Ų019.9 Ų19.90%010%0.101CC..Hα-helixtrans-67.6-40.7175.166.20000112.3M341 C342 S343 N349 T369M341-S345 PolarHBondContact O-N 3.24Å; M341-S345 PolarHBondContact O-OG 2.97Å; C342-S345 PolarHBondContact O-N 2.79Å; C342-S345 PolarHBondContact O-OG 3Å; S343-S345 PolarHBondContact O-N 3.5Å; S345-N349 VanDerWaalsContact O-CB 3.3Å; S345-N349 WeakPolarHBondContact O-CB 3.4Å; S345-N349 PolarHBondContact O-N 3.06Å; S345-T369 WeakPolarHBondContact OG-CG2 3.26Å
346I96.8Very high95.9Very high0 Ų019.9 Ų19.90%010%0.1CC..Hα-helixtrans-63.3-47.4175.3-66.9166.2000109.9C342 S343 H348 N349 L350 M359 L362 M366C342-I346 WeakPolarHBondContact O-CD1 3.32Å; C342-I346 VanDerWaalsContact O-CG1 3.23Å; C342-I346 WeakPolarHBondContact O-CG1 3.47Å; C342-I346 PolarHBondContact O-N 3.48Å; C342-I346 VanDerWaalsContact O-N 3.13Å; S343-I346 PolarHBondContact O-N 2.93Å; I346-H348 PolarHBondContact O-N 3.11Å; I346-N349 PolarHBondContact O-N 2.84Å; I346-L350 HydrophobicContact CG2-CD1 3.74Å; I346-L350 HydrophobicContact CG2-CG 4.47Å; I346-L350 WeakPolarHBondContact O-CB 3.5Å; I346-L350 WeakPolarHBondContact O-CG 3.48Å; I346-L350 PolarHBondContact O-N 3.41Å; I346-M359 HydrophobicContact CG2-CE 3.92Å; I346-M359 HydrophobicContact CG2-SD 3.73Å; I346-L362 HydrophobicContact CD1-CD1 4.24Å; I346-L362 HydrophobicContact CG1-CD1 4.13Å; I346-L362 HydrophobicContact CG2-CD1 3.65Å; I346-M366 HydrophobicContact CG1-CE 4.49Å
347I96.3Very high95.8Very high0 Ų026.9 Ų26.90%013%0.127CC..Hα-helixtrans-59.9-48.9-179.4-69.4162.5000110.9T241 I298 K299 S343 L350 N351 N352 Q354T241-I347 HydrophobicContact CG2-CD1 4.04Å; I298-I347 HydrophobicContact CG2-CD1 3.91Å; I298-I347 HydrophobicContact CG2-CG1 4.23Å; K299-I347 HydrophobicContact CD-CD1 3.98Å; K299-I347 HydrophobicContact CG-CD1 3.87Å; S343-I347 WeakPolarHBondContact O-CB 3.5Å; S343-I347 WeakPolarHBondContact O-CD1 3.22Å; S343-I347 WeakPolarHBondContact O-CG1 3.33Å; S343-I347 PolarHBondContact O-N 3.35Å; I347-L350 CarbonylContact O-C 3.58Å; I347-L350 PolarHBondContact O-N 3.21Å; I347-N351 PolarHBondContact O-N 3.14Å; I347-N352 WeakPolarHBondContact O-CA 3.34Å; I347-N352 PolarHBondContact O-N 2.94Å; I347-Q354 HydrophobicContact CD1-CG 4.02Å; I347-Q354 HydrophobicContact CG1-CG 4.08Å; I347-Q354 HydrophobicContact CG2-CG 4.05Å
348H95.2Very high95.7Very high62 Ų6231 Ų3129%0.28715%0.145SC..Hα-helixtrans-69.5-37.4-176.7-173.4-84.6000112W106 Y107 G344 I346 L350 N351W106-H348 HydrophobicContact CH2-CB 3.59Å; W106-H348 AromaticContact CH2-CG 3.71Å; W106-H348 AromaticContact CH2-ND1 3.49Å; W106-H348 WeakPolarHBondContact CH2-ND1 3.36Å; W106-H348 HydrophobicContact CZ2-CB 4.45Å; W106-H348 AromaticContact CZ2-ND1 3.46Å; W106-H348 WeakPolarHBondContact CZ2-ND1 3.14Å; W106-H348 HydrophobicContact CZ3-CB 3.93Å; Y107-H348 HydrophobicContact CD2-CB 4.16Å; Y107-H348 HydrophobicContact CE2-CB 4.01Å; G344-H348 WeakPolarHBondContact O-CB 3.42Å; G344-H348 PolarHBondContact O-N 2.6Å; I346-H348 PolarHBondContact O-N 3.11Å; H348-L350 VanDerWaalsContact C-N 3.29Å; H348-L350 PolarHBondContact O-N 3.5Å; H348-N351 PolarHBondContact O-N 2.91Å
349N94.8Very high95.7Very high8 Ų831 Ų314%0.04315%0.145CC..Hα-helixtrans-72.7-19.9175.9-75.2-8.9000113.8S345 I346 M366 I443 N444S345-N349 VanDerWaalsContact O-CB 3.3Å; S345-N349 WeakPolarHBondContact O-CB 3.4Å; S345-N349 PolarHBondContact O-N 3.06Å; I346-N349 PolarHBondContact O-N 2.84Å; N349-M366 HydrophobicContact CB-CE 4.34Å; N349-M366 HydrophobicContact CB-SD 3.95Å; N349-M366 WeakPolarHBondContact ND2-CE 3.49Å; N349-M366 PolarHBondContact ND2-SD 2.99Å; N349-I443 HydrophobicContact CB-CG2 4.42Å; N349-N444 PolarHBondContact ND2-O 3.11Å; N349-N444 PolarHBondContact OD1-O 2.9Å
350L95Very high95.6Very high2 Ų231 Ų311%0.0115%0.145CC..THydrogen-bonded Turntrans-101.129.4173.9-63.2178.3000112.5I346 I347 H348 N352 E353 M359 L362 F437 T441 I443I346-L350 HydrophobicContact CG2-CD1 3.74Å; I346-L350 HydrophobicContact CG2-CG 4.47Å; I346-L350 WeakPolarHBondContact O-CB 3.5Å; I346-L350 WeakPolarHBondContact O-CG 3.48Å; I346-L350 PolarHBondContact O-N 3.41Å; I347-L350 CarbonylContact O-C 3.58Å; I347-L350 PolarHBondContact O-N 3.21Å; H348-L350 VanDerWaalsContact C-N 3.29Å; H348-L350 PolarHBondContact O-N 3.5Å; L350-N352 PolarHBondContact O-N 3.22Å; L350-E353 HydrophobicContact CB-CB 4.28Å; L350-E353 WeakPolarHBondContact O-CB 3.45Å; L350-E353 WeakPolarHBondContact O-CG 3.19Å; L350-E353 PolarHBondContact O-N 3.2Å; L350-M359 HydrophobicContact CD1-CG 3.85Å; L350-L362 HydrophobicContact CD1-CD1 4.43Å; L350-F437 HydrophobicContact CD2-CB 3.79Å; L350-F437 HydrophobicContact CD2-CD1 4.01Å; L350-F437 HydrophobicContact CD2-CD2 4.26Å; L350-F437 HydrophobicContact CD2-CG 3.78Å; L350-T441 HydrophobicContact CD2-CG2 4.27Å; L350-I443 HydrophobicContact CD2-CD1 4.43Å
351N93.4Very high95.4Very high106 Ų10632 Ų3257%0.56715%0.154SC*.THydrogen-bonded Turntrans54.946.6176-62.7-24.7000114.3I347 H348 E353I347-N351 PolarHBondContact O-N 3.14Å; H348-N351 PolarHBondContact O-N 2.91Å; N351-E353 VanDerWaalsContact C-N 3.32Å; N351-E353 PolarHBondContact O-N 3.48Å
352N93Very high95.4Very high104 Ų10432 Ų3256%0.55616%0.155SC*.THydrogen-bonded Turntrans69.715.3-179.6-57.4-49.9000116.1I347 L350 Q354I347-N352 WeakPolarHBondContact O-CA 3.34Å; I347-N352 PolarHBondContact O-N 2.94Å; L350-N352 PolarHBondContact O-N 3.22Å; N352-Q354 PolarHBondContact O-N 2.93Å
353E94.3Very high95.3Very high54 Ų5436.6 Ų36.625%0.25218%0.179SC..  trans-73.4120.9171.5-71.6-76.9-168.100111.2L350 N351 K358 M359L350-E353 HydrophobicContact CB-CB 4.28Å; L350-E353 WeakPolarHBondContact O-CB 3.45Å; L350-E353 WeakPolarHBondContact O-CG 3.19Å; L350-E353 PolarHBondContact O-N 3.2Å; N351-E353 VanDerWaalsContact C-N 3.32Å; N351-E353 PolarHBondContact O-N 3.48Å; E353-K358 IonicContact OE1-NZ 2.56Å; E353-K358 PolarHBondContact OE1-NZ 3.33Å; E353-K358 WeakPolarHBondContact OE2-CD 3.22Å; E353-K358 IonicContact OE2-NZ 3.92Å; E353-K358 PolarHBondContact OE2-NZ 2.99Å; E353-M359 WeakPolarHBondContact O-CE 3.3Å
354Q95.6Very high95Very high61 Ų6145.5 Ų45.529%0.28522%0.217SC..  trans-104.8-13.9-177.2-56.4-173.19.800113.9I298 I347 N352I298-Q354 PolarHBondContact N-O 3.39Å; I347-Q354 HydrophobicContact CD1-CG 4.02Å; I347-Q354 HydrophobicContact CG1-CG 4.08Å; I347-Q354 HydrophobicContact CG2-CG 4.05Å; N352-Q354 PolarHBondContact O-N 2.93Å
355D96.8Very high94.8Very high20 Ų2048.4 Ų48.411%0.10724%0.235CC..BIsolated β-bridgetrans-81.3119.9-174.6-172.8-16.7000111.1N296 R357 K358N296-D355 WeakPolarHBondContact CB-OD1 3.17Å; D355-R357 PolarHBondContact O-N 3.34Å; D355-R357 VanDerWaalsContact O-N 3.1Å; D355-R357 VanDerWaalsContact OD1-CB 3.28Å; D355-R357 WeakPolarHBondContact OD1-CB 3.25Å; D355-R357 VanDerWaalsContact OD1-CG 3.3Å; D355-R357 WeakPolarHBondContact OD1-CG 3.48Å; D355-R357 PolarHBondContact OD1-N 2.7Å; D355-R357 IonicContact OD1-NE 3.77Å; D355-R357 PolarHBondContact OD1-NE 3.38Å; D355-R357 VanDerWaalsContact OD1-NE 3.11Å; D355-R357 IonicContact OD2-CZ 3.58Å; D355-R357 IonicContact OD2-NE 2.95Å; D355-R357 PolarHBondContact OD2-NE 2.79Å; D355-R357 IonicContact OD2-NH2 3.24Å; D355-R357 PolarHBondContact OD2-NH2 3.22Å; D355-K358 PolarHBondContact O-N 3.16Å; D355-K358 VanDerWaalsContact O-N 3.11Å
356I96.4Very high94.7Very high0 Ų048.4 Ų48.40%024%0.235CC..G310 helixtrans-60.7-21.5179.767.2-176000113.3N296 I298 I301 K358 M359 L429 T430N296-I356 HydrophobicContact CB-CG1 4.49Å; N296-I356 WeakPolarHBondContact O-CG1 3.41Å; N296-I356 WeakPolarHBondContact O-CG2 3.47Å; N296-I356 PolarHBondContact O-N 2.96Å; I298-I356 HydrophobicContact CB-CG2 3.92Å; I298-I356 HydrophobicContact CG1-CG2 4.26Å; I301-I356 HydrophobicContact CD1-CD1 3.82Å; I301-I356 HydrophobicContact CD1-CG2 4.33Å; I356-K358 VanDerWaalsContact C-N 3.25Å; I356-K358 PolarHBondContact O-N 3.3Å; I356-M359 HydrophobicContact CG2-SD 4.35Å; I356-M359 PolarHBondContact O-N 3.43Å; I356-L429 HydrophobicContact CB-CB 4.44Å; I356-L429 HydrophobicContact CD1-CB 4.42Å; I356-L429 HydrophobicContact CD1-CD1 3.58Å; I356-L429 HydrophobicContact CG1-CD1 4.14Å; I356-T430 HydrophobicContact CB-CG2 4.06Å; I356-T430 HydrophobicContact CG2-CG2 3.66Å
357R95.1Very high94.6Very high148 Ų14852 Ų5256%0.55826%0.258SS*.G310 helixtrans-66.7-30.2178.6-63.4178-66.4179.70.1111.9D355 R436D355-R357 PolarHBondContact O-N 3.34Å; D355-R357 VanDerWaalsContact O-N 3.1Å; D355-R357 VanDerWaalsContact OD1-CB 3.28Å; D355-R357 WeakPolarHBondContact OD1-CB 3.25Å; D355-R357 VanDerWaalsContact OD1-CG 3.3Å; D355-R357 WeakPolarHBondContact OD1-CG 3.48Å; D355-R357 PolarHBondContact OD1-N 2.7Å; D355-R357 IonicContact OD1-NE 3.77Å; D355-R357 PolarHBondContact OD1-NE 3.38Å; D355-R357 VanDerWaalsContact OD1-NE 3.11Å; D355-R357 IonicContact OD2-CZ 3.58Å; D355-R357 IonicContact OD2-NE 2.95Å; D355-R357 PolarHBondContact OD2-NE 2.79Å; D355-R357 IonicContact OD2-NH2 3.24Å; D355-R357 PolarHBondContact OD2-NH2 3.22Å; R357-R436 WeakPolarHBondContact O-CD 3.32Å; R357-R436 PolarHBondContact O-NE 3.48Å
358K94.6Very high94.6Very high87 Ų8754 Ų5438%0.37827%0.269SS..G310 helixtrans-93.87.8176.9-61.7179.7-178.4173.40113.3E353 D355 I356 R436 F437E353-K358 IonicContact OE1-NZ 2.56Å; E353-K358 PolarHBondContact OE1-NZ 3.33Å; E353-K358 WeakPolarHBondContact OE2-CD 3.22Å; E353-K358 IonicContact OE2-NZ 3.92Å; E353-K358 PolarHBondContact OE2-NZ 2.99Å; D355-K358 PolarHBondContact O-N 3.16Å; D355-K358 VanDerWaalsContact O-N 3.11Å; I356-K358 VanDerWaalsContact C-N 3.25Å; I356-K358 PolarHBondContact O-N 3.3Å; K358-R436 CarbonylContact O-C 3.55Å; K358-R436 VanDerWaalsContact O-C 3.29Å; K358-F437 WeakPolarHBondContact O-CA 3.4Å; K358-F437 VanDerWaalsContact O-CB 3.28Å; K358-F437 WeakPolarHBondContact O-CB 3.31Å; K358-F437 PolarHBondContact O-N 3.09Å; K358-F437 VanDerWaalsContact O-N 3.07Å
359M95.1Very high94.7Very high0 Ų051 Ų510%026%0.255CS..  trans-97.1-174.1173.7-59.7-179.6-175.200110.4I298 I346 L350 E353 I356 L362 T430 R436I298-M359 HydrophobicContact CD1-SD 4.39Å; I298-M359 HydrophobicContact CG2-CE 4.31Å; I346-M359 HydrophobicContact CG2-CE 3.92Å; I346-M359 HydrophobicContact CG2-SD 3.73Å; L350-M359 HydrophobicContact CD1-CG 3.85Å; E353-M359 WeakPolarHBondContact O-CE 3.3Å; I356-M359 HydrophobicContact CG2-SD 4.35Å; I356-M359 PolarHBondContact O-N 3.43Å; M359-L362 HydrophobicContact CB-CD1 4.46Å; M359-T430 HydrophobicContact CB-CG2 4.47Å; M359-T430 HydrophobicContact SD-CG2 3.7Å; M359-R436 WeakPolarHBondContact O-CB 3.41Å; M359-R436 PolarHBondContact O-NE 3.08Å; M359-R436 VanDerWaalsContact O-NE 3.11Å; M359-R436 PolarHBondContact O-NH2 3.27Å
360G94.6Very high94.8Very high0 Ų050.9 Ų50.90%025%0.254CS..  trans135.3151.7174.700000112.7L362 T430 P435 F437G360-L362 PolarHBondContact O-N 3.49Å; G360-L362 VanDerWaalsContact O-N 3.16Å; G360-T430 VanDerWaalsContact CA-O 3.29Å; G360-T430 WeakPolarHBondContact CA-O 3.19Å; G360-T430 PolarHBondContact N-O 3.35Å; G360-P435 WeakPolarHBondContact O-CA 3.4Å; G360-F437 WeakPolarHBondContact O-CE1 3.34Å
361G93.8Very high94.8Very high19 Ų1954.2 Ų54.220%0.19628%0.275CS..  trans65.314177.600000115.4L363 L431 T432 G433G361-L363 PolarHBondContact O-N 3.25Å; G361-L431 CarbonylContact C-O 3.46Å; G361-L431 WeakPolarHBondContact CA-O 3.05Å; G361-L431 PolarHBondContact N-O 3.48Å; G361-T432 PolarHBondContact N-O 2.92Å; G361-G433 WeakPolarHBondContact CA-O 3.35Å; G361-G433 PolarHBondContact N-O 3.28Å
362L95.1Very high95Very high1 Ų149.2 Ų49.21%0.00525%0.249CC..Hα-helixtrans-70.9-15-174.7-65.1174.6000114.1I346 L350 M359 G360 K364 T365 M366 T430 L431 F437 I443I346-L362 HydrophobicContact CD1-CD1 4.24Å; I346-L362 HydrophobicContact CG1-CD1 4.13Å; I346-L362 HydrophobicContact CG2-CD1 3.65Å; L350-L362 HydrophobicContact CD1-CD1 4.43Å; M359-L362 HydrophobicContact CB-CD1 4.46Å; G360-L362 PolarHBondContact O-N 3.49Å; G360-L362 VanDerWaalsContact O-N 3.16Å; L362-K364 PolarHBondContact O-N 3.18Å; L362-T365 WeakPolarHBondContact CA-OG1 3.33Å; L362-T365 PolarHBondContact O-N 3.14Å; L362-T365 PolarHBondContact O-OG1 2.69Å; L362-M366 PolarHBondContact O-N 3.13Å; L362-T430 WeakPolarHBondContact CD1-O 3.46Å; L362-T430 WeakPolarHBondContact CG-O 3.42Å; L362-L431 HydrophobicContact CB-CD2 4.07Å; L362-L431 PolarHBondContact N-O 3.39Å; L362-F437 HydrophobicContact CD2-CE1 4.19Å; L362-I443 HydrophobicContact CD2-CD1 4.43Å
363L95.3Very high95.2Very high97 Ų9744.3 Ų44.351%0.50822%0.222SC..Hα-helixtrans-58.9-32-179.7-171.3135000113.2G361 L431G361-L363 PolarHBondContact O-N 3.25Å; L363-L431 HydrophobicContact CB-CB 4.49Å; L363-L431 WeakPolarHBondContact CB-O 3.38Å; L363-L431 PolarHBondContact N-O 2.93Å
364K90.8Very high95.3Very high187 Ų18743.7 Ų43.781%0.81322%0.222SC*.Hα-helixtrans-90.5-31.3177.2-66.7-175.2-179.8-178.60113.2L362L362-K364 PolarHBondContact O-N 3.18Å
365T91.9Very high95.4Very high60 Ų6042.8 Ų42.837%0.36822%0.219SC..Hα-helixtrans-85.2-32.2-174.259.90000112.8L362 I443L362-T365 WeakPolarHBondContact CA-OG1 3.33Å; L362-T365 PolarHBondContact O-N 3.14Å; L362-T365 PolarHBondContact O-OG1 2.69Å; T365-I443 HydrophobicContact CG2-CD1 4.28Å
366M95.1Very high95.3Very high1 Ų141.9 Ų41.91%0.00521%0.214CC..SBendtrans-131.376.1178.1-55.7-179.452.800110.7I346 N349 L362 L368 T369 S370 I443 E445I346-M366 HydrophobicContact CG1-CE 4.49Å; N349-M366 HydrophobicContact CB-CE 4.34Å; N349-M366 HydrophobicContact CB-SD 3.95Å; N349-M366 WeakPolarHBondContact ND2-CE 3.49Å; N349-M366 PolarHBondContact ND2-SD 2.99Å; L362-M366 PolarHBondContact O-N 3.13Å; M366-L368 PolarHBondContact O-N 2.86Å; M366-T369 WeakPolarHBondContact CB-OG1 3.45Å; M366-T369 HydrophobicContact CE-CG2 3.95Å; M366-T369 VanDerWaalsContact CE-OG1 3.32Å; M366-T369 WeakPolarHBondContact CE-OG1 3.13Å; M366-T369 PolarHBondContact O-OG1 3.44Å; M366-S370 VanDerWaalsContact O-CB 3.27Å; M366-S370 WeakPolarHBondContact O-CB 3.28Å; M366-S370 PolarHBondContact O-N 3.37Å; M366-S370 PolarHBondContact O-OG 2.82Å; M366-I443 HydrophobicContact CG-CG2 3.35Å; M366-I443 HydrophobicContact SD-CG2 3.74Å; M366-E445 WeakPolarHBondContact CA-OE2 3.38Å; M366-E445 HydrophobicContact CE-CG 4.3Å
367P95.2Very high95.3Very high74 Ų7441.9 Ų41.948%0.48121%0.214SC..Hα-helixtrans-67.1-34.3-170.826.3-34.7000113.8S370 T371 E445P367-S370 VanDerWaalsContact CA-OG 3.3Å; P367-S370 WeakPolarHBondContact CA-OG 3.38Å; P367-S370 PolarHBondContact O-OG 3.44Å; P367-T371 WeakPolarHBondContact O-CB 3.4Å; P367-T371 VanDerWaalsContact O-CG2 3.27Å; P367-T371 WeakPolarHBondContact O-CG2 3.48Å; P367-T371 PolarHBondContact O-N 3.04Å; P367-T371 VanDerWaalsContact O-N 3.09Å; P367-T371 PolarHBondContact O-OG1 3.5Å; P367-E445 WeakPolarHBondContact CD-OE2 3.45Å
368L96.3Very high95.3Very high42 Ų4238.1 Ų38.122%0.2221%0.205CC..Hα-helixtrans-73.2-48.3-178.7-177.578.1000110.7M366 S370 T371 S372 E445 L451 I454 K455M366-L368 PolarHBondContact O-N 2.86Å; L368-S370 VanDerWaalsContact C-N 3.31Å; L368-S370 PolarHBondContact O-N 3.33Å; L368-T371 WeakPolarHBondContact CA-OG1 3.35Å; L368-T371 PolarHBondContact O-N 3.03Å; L368-T371 PolarHBondContact O-OG1 3.49Å; L368-S372 PolarHBondContact O-N 3.29Å; L368-S372 PolarHBondContact O-OG 3.27Å; L368-E445 WeakPolarHBondContact CB-OE1 3.27Å; L368-E445 PolarHBondContact N-OE2 3.31Å; L368-L451 HydrophobicContact CB-CD2 4.15Å; L368-L451 HydrophobicContact CD2-CB 3.94Å; L368-L451 HydrophobicContact CD2-CD2 3.29Å; L368-L451 HydrophobicContact CD2-CG 4.19Å; L368-L451 HydrophobicContact CG-CD2 4.32Å; L368-I454 HydrophobicContact CD2-CG2 4.38Å; L368-K455 HydrophobicContact CD1-CG 4.18Å; L368-K455 HydrophobicContact CD2-CG 4.02Å
369T96.4Very high95.4Very high1 Ų134 Ų341%0.00619%0.187CC..Hα-helixtrans-65.2-35.8179.446.30000112S345 M366 S372 L373 E445 I454S345-T369 WeakPolarHBondContact OG-CG2 3.26Å; M366-T369 WeakPolarHBondContact CB-OG1 3.45Å; M366-T369 HydrophobicContact CE-CG2 3.95Å; M366-T369 VanDerWaalsContact CE-OG1 3.32Å; M366-T369 WeakPolarHBondContact CE-OG1 3.13Å; M366-T369 PolarHBondContact O-OG1 3.44Å; T369-S372 VanDerWaalsContact CA-OG 3.3Å; T369-S372 WeakPolarHBondContact CA-OG 3.42Å; T369-S372 PolarHBondContact O-OG 3.43Å; T369-S372 VanDerWaalsContact O-OG 3.09Å; T369-L373 WeakPolarHBondContact O-CB 3.43Å; T369-L373 PolarHBondContact O-N 3.34Å; T369-E445 WeakPolarHBondContact CA-OE1 3.13Å; T369-E445 VanDerWaalsContact CB-OE1 3.28Å; T369-E445 WeakPolarHBondContact CB-OE1 3.47Å; T369-E445 HydrophobicContact CG2-CG 4.34Å; T369-E445 WeakPolarHBondContact CG2-OE1 3.49Å; T369-E445 PolarHBondContact N-OE1 2.93Å; T369-E445 PolarHBondContact OG1-OE1 2.7Å; T369-I454 HydrophobicContact CG2-CD1 3.71Å
370S96.2Very high95.4Very high4 Ų434 Ų343%0.02819%0.187CC..Hα-helixtrans-65.5-44.3173.459.60000111.9M366 P367 L368 L373 T374M366-S370 VanDerWaalsContact O-CB 3.27Å; M366-S370 WeakPolarHBondContact O-CB 3.28Å; M366-S370 PolarHBondContact O-N 3.37Å; M366-S370 PolarHBondContact O-OG 2.82Å; P367-S370 VanDerWaalsContact CA-OG 3.3Å; P367-S370 WeakPolarHBondContact CA-OG 3.38Å; P367-S370 PolarHBondContact O-OG 3.44Å; L368-S370 VanDerWaalsContact C-N 3.31Å; L368-S370 PolarHBondContact O-N 3.33Å; S370-L373 PolarHBondContact O-N 3.41Å; S370-T374 WeakPolarHBondContact O-CG2 3.36Å; S370-T374 PolarHBondContact O-N 3.18Å; S370-T374 PolarHBondContact O-OG1 2.6Å
371T96.4Very high95.4Very high72 Ų7234.6 Ų34.644%0.44219%0.192SC..Hα-helixtrans-66-39.1175.751.90000112.8P367 L368 T374 I375P367-T371 WeakPolarHBondContact O-CB 3.4Å; P367-T371 VanDerWaalsContact O-CG2 3.27Å; P367-T371 WeakPolarHBondContact O-CG2 3.48Å; P367-T371 PolarHBondContact O-N 3.04Å; P367-T371 VanDerWaalsContact O-N 3.09Å; P367-T371 PolarHBondContact O-OG1 3.5Å; L368-T371 WeakPolarHBondContact CA-OG1 3.35Å; L368-T371 PolarHBondContact O-N 3.03Å; L368-T371 PolarHBondContact O-OG1 3.49Å; T371-T374 WeakPolarHBondContact CA-OG1 3.32Å; T371-T374 PolarHBondContact O-N 3.29Å; T371-T374 PolarHBondContact O-OG1 3.27Å; T371-I375 WeakPolarHBondContact O-CD1 3.43Å; T371-I375 WeakPolarHBondContact O-CG1 3.49Å; T371-I375 PolarHBondContact O-N 3.03Å
372S96.6Very high95.3Very high2 Ų234.4 Ų34.41%0.01419%0.189CC..Hα-helixtrans-71.7-34.5175.556.70000112.8M338 C342 L368 T369 I375 G376 I454M338-S372 VanDerWaalsContact CE-O 3.26Å; M338-S372 WeakPolarHBondContact CE-O 3.32Å; C342-S372 PolarHBondContact SG-OG 2.99Å; L368-S372 PolarHBondContact O-N 3.29Å; L368-S372 PolarHBondContact O-OG 3.27Å; T369-S372 VanDerWaalsContact CA-OG 3.3Å; T369-S372 WeakPolarHBondContact CA-OG 3.42Å; T369-S372 PolarHBondContact O-OG 3.43Å; T369-S372 VanDerWaalsContact O-OG 3.09Å; S372-I375 PolarHBondContact O-N 3.04Å; S372-G376 PolarHBondContact O-N 2.92Å; S372-I454 VanDerWaalsContact CB-CG2 3.45Å; S372-I454 WeakPolarHBondContact OG-CG2 3.17Å
373L96.9Very high95.3Very high1 Ų139.1 Ų39.11%0.00521%0.213CC..Hα-helixtrans-64.1-41.2173.7-168.287.1000110.9L339 C342 T369 S370 G376 S377 M426 L431L339-L373 HydrophobicContact CD2-CD1 3.86Å; L339-L373 HydrophobicContact CD2-CG 4.34Å; C342-L373 HydrophobicContact CB-CB 4.24Å; C342-L373 HydrophobicContact CB-CD1 3.68Å; T369-L373 WeakPolarHBondContact O-CB 3.43Å; T369-L373 PolarHBondContact O-N 3.34Å; S370-L373 PolarHBondContact O-N 3.41Å; L373-G376 PolarHBondContact O-N 3.43Å; L373-S377 WeakPolarHBondContact O-CB 3.34Å; L373-S377 PolarHBondContact O-N 3.1Å; L373-S377 PolarHBondContact O-OG 3.47Å; L373-M426 HydrophobicContact CD1-SD 4.08Å; L373-M426 HydrophobicContact CD2-SD 4.28Å; L373-M426 HydrophobicContact CG-SD 4.36Å; L373-L431 HydrophobicContact CB-CD1 4.43Å; L373-L431 HydrophobicContact CD2-CD1 3.83Å; L373-L431 HydrophobicContact CD2-CD2 3.96Å; L373-L431 HydrophobicContact CD2-CG 3.86Å
374T96.9Very high95.2Very high41 Ų4136.2 Ų36.225%0.25220%0.2SC..Hα-helixtrans-67.9-42.717655.10000112S370 T371 G376 S377 L378 I427 L431S370-T374 WeakPolarHBondContact O-CG2 3.36Å; S370-T374 PolarHBondContact O-N 3.18Å; S370-T374 PolarHBondContact O-OG1 2.6Å; T371-T374 WeakPolarHBondContact CA-OG1 3.32Å; T371-T374 PolarHBondContact O-N 3.29Å; T371-T374 PolarHBondContact O-OG1 3.27Å; T374-G376 VanDerWaalsContact C-N 3.33Å; T374-G376 PolarHBondContact O-N 3.08Å; T374-S377 VanDerWaalsContact CA-OG 3.3Å; T374-S377 WeakPolarHBondContact CA-OG 3.35Å; T374-S377 PolarHBondContact O-N 3.13Å; T374-S377 PolarHBondContact O-OG 2.78Å; T374-L378 WeakPolarHBondContact O-CB 3.37Å; T374-L378 VanDerWaalsContact O-CG 3.3Å; T374-L378 WeakPolarHBondContact O-CG 3.34Å; T374-L378 PolarHBondContact O-N 3.33Å; T374-I427 HydrophobicContact CG2-CG2 4.24Å; T374-L431 HydrophobicContact CG2-CD1 3.67Å
375I97.1Very high95.3Very high42 Ų4234.8 Ų34.822%0.21519%0.194CC..Hα-helixtrans-59.4-45.2174.1-66.9164.1000110.6M338 T371 S372 S377 L378 A379 S461 L462M338-I375 HydrophobicContact CE-CB 4.4Å; M338-I375 HydrophobicContact CE-CG2 4.22Å; T371-I375 WeakPolarHBondContact O-CD1 3.43Å; T371-I375 WeakPolarHBondContact O-CG1 3.49Å; T371-I375 PolarHBondContact O-N 3.03Å; S372-I375 PolarHBondContact O-N 3.04Å; I375-S377 PolarHBondContact O-N 3.45Å; I375-L378 PolarHBondContact O-N 3.06Å; I375-A379 WeakPolarHBondContact O-CB 3.41Å; I375-A379 PolarHBondContact O-N 3.24Å; I375-S461 WeakPolarHBondContact CG2-OG 3.3Å; I375-L462 HydrophobicContact CG2-CD2 4.16Å; I375-L462 HydrophobicContact CG2-CG 4.34Å
376G96.1Very high95.4Very high0 Ų033 Ų330%018%0.182CC..Hα-helixtrans-66.6-38.1-178.900000114.1S372 L373 T374 L380S372-G376 PolarHBondContact O-N 2.92Å; L373-G376 PolarHBondContact O-N 3.43Å; T374-G376 VanDerWaalsContact C-N 3.33Å; T374-G376 PolarHBondContact O-N 3.08Å; G376-L380 WeakPolarHBondContact O-CB 3.4Å; G376-L380 PolarHBondContact O-N 3.35Å
377S96Very high95.3Very high1 Ų133 Ų331%0.00718%0.182CC..Hα-helixtrans-72.2-38.3177.147.40000112.2L373 T374 I375 L380 A381 I427L373-S377 WeakPolarHBondContact O-CB 3.34Å; L373-S377 PolarHBondContact O-N 3.1Å; L373-S377 PolarHBondContact O-OG 3.47Å; T374-S377 VanDerWaalsContact CA-OG 3.3Å; T374-S377 WeakPolarHBondContact CA-OG 3.35Å; T374-S377 PolarHBondContact O-N 3.13Å; T374-S377 PolarHBondContact O-OG 2.78Å; I375-S377 PolarHBondContact O-N 3.45Å; S377-L380 PolarHBondContact O-N 3.29Å; S377-A381 WeakPolarHBondContact O-CB 3.25Å; S377-A381 PolarHBondContact O-N 2.68Å; S377-I427 WeakPolarHBondContact OG-CD1 3.25Å
378L95.8Very high95.1Very high68 Ų6829.5 Ų29.536%0.35616%0.159SC..Hα-helixtrans-65.1-40.3171.6-71.8171.1000112.1T374 I375 A381 G382 M383 L386T374-L378 WeakPolarHBondContact O-CB 3.37Å; T374-L378 VanDerWaalsContact O-CG 3.3Å; T374-L378 WeakPolarHBondContact O-CG 3.34Å; T374-L378 PolarHBondContact O-N 3.33Å; I375-L378 PolarHBondContact O-N 3.06Å; L378-A381 PolarHBondContact O-N 2.99Å; L378-G382 PolarHBondContact O-N 3.14Å; L378-M383 HydrophobicContact CB-CB 4.13Å; L378-M383 PolarHBondContact O-N 3.37Å; L378-L386 HydrophobicContact CB-CD1 3.64Å
379A96Very high95Very high0 Ų029.6 Ų29.60%016%0.158CC..Hα-helixtrans-62.7-42.6174.200000111.4F335 I375 G382 L386 G388F335-A379 HydrophobicContact CB-CB 3.97Å; F335-A379 HydrophobicContact CD1-CB 4.21Å; F335-A379 HydrophobicContact CG-CB 4.23Å; I375-A379 WeakPolarHBondContact O-CB 3.41Å; I375-A379 PolarHBondContact O-N 3.24Å; A379-G382 PolarHBondContact O-N 2.85Å; A379-L386 HydrophobicContact CB-CB 4.2Å; A379-L386 HydrophobicContact CB-CD1 4.17Å; A379-G388 WeakPolarHBondContact O-CA 3.22Å
380L95.4Very high94.9Very high2 Ų231.1 Ų31.11%0.0116%0.164CC..Hα-helixtrans-63.2-41.2174.9-176.5167000112.2F335 K336 L339 G376 S377 G382 K392 Y422F335-L380 HydrophobicContact CD2-CB 4.11Å; F335-L380 HydrophobicContact CE2-CB 4.1Å; F335-L380 HydrophobicContact CE2-CG 4.31Å; K336-L380 HydrophobicContact CD-CD1 4.39Å; L339-L380 HydrophobicContact CD1-CD1 3.63Å; G376-L380 WeakPolarHBondContact O-CB 3.4Å; G376-L380 PolarHBondContact O-N 3.35Å; S377-L380 PolarHBondContact O-N 3.29Å; L380-G382 VanDerWaalsContact C-N 3.27Å; L380-G382 PolarHBondContact O-N 3.16Å; L380-K392 PolarHBondContact O-NZ 3.11Å; L380-Y422 HydrophobicContact CD2-CE2 4.02Å
381A94Very high94.8Very high12 Ų1231 Ų3110%0.09916%0.163CC..Hα-helixtrans-62.3-37.6177.100000111.3S377 L378 K392 T494S377-A381 WeakPolarHBondContact O-CB 3.25Å; S377-A381 PolarHBondContact O-N 2.68Å; L378-A381 PolarHBondContact O-N 2.99Å; A381-K392 PolarHBondContact O-NZ 3.38Å; A381-T494 VanDerWaalsContact O-CG2 3.23Å; A381-T494 WeakPolarHBondContact O-CG2 3.36Å
382G92.4Very high94.7Very high14 Ų1427.8 Ų27.814%0.14414%0.143CC..THydrogen-bonded Turntrans106.733-178.600000113L378 A379 L380L378-G382 PolarHBondContact O-N 3.14Å; A379-G382 PolarHBondContact O-N 2.85Å; L380-G382 VanDerWaalsContact C-N 3.27Å; L380-G382 PolarHBondContact O-N 3.16Å
383M93.6Very high94.6Very high101 Ų10128.3 Ų28.350%0.49815%0.146SC..  trans-58.2136.9177.4-174.168.6-16900110.8L378 L386 F389L378-M383 HydrophobicContact CB-CB 4.13Å; L378-M383 PolarHBondContact O-N 3.37Å; M383-L386 HydrophobicContact CB-CD1 3.87Å; M383-L386 HydrophobicContact CB-CG 4.33Å; M383-L386 HydrophobicContact CG-CD1 4.37Å; M383-L386 PolarHBondContact O-N 3.39Å; M383-F389 WeakPolarHBondContact O-CB 3.31Å
384P93.9Very high94.4Very high36 Ų3631 Ų3123%0.23416%0.158CC..THydrogen-bonded Turntrans-49.7141.9179.7-29.736.1000113.5L386 F389 L491P384-L386 PolarHBondContact O-N 3.49Å; P384-L386 VanDerWaalsContact O-N 3.09Å; P384-F389 HydrophobicContact CB-CD2 4.44Å; P384-L491 HydrophobicContact CG-CD1 3.45Å; P384-L491 VanDerWaalsContact CG-CD1 3.45Å
385F92.6Very high94.3Very high157 Ų15729 Ų2969%0.68915%0.146SC*.THydrogen-bonded Turntrans66.3-7.2179.9-51.3-72000117
386L94.9Very high94.2Very high22 Ų2227.5 Ų27.512%0.11514%0.138CC..SBendtrans-79161.1167-63.4-175.5000110.9L378 A379 M383 P384 G388 F389 Y390 L462L378-L386 HydrophobicContact CB-CD1 3.64Å; A379-L386 HydrophobicContact CB-CB 4.2Å; A379-L386 HydrophobicContact CB-CD1 4.17Å; M383-L386 HydrophobicContact CB-CD1 3.87Å; M383-L386 HydrophobicContact CB-CG 4.33Å; M383-L386 HydrophobicContact CG-CD1 4.37Å; M383-L386 PolarHBondContact O-N 3.39Å; P384-L386 PolarHBondContact O-N 3.49Å; P384-L386 VanDerWaalsContact O-N 3.09Å; L386-G388 PolarHBondContact O-N 3.26Å; L386-G388 VanDerWaalsContact O-N 3.08Å; L386-F389 WeakPolarHBondContact O-CB 3.4Å; L386-F389 PolarHBondContact O-N 3.49Å; L386-Y390 WeakPolarHBondContact O-CD2 3.45Å; L386-L462 HydrophobicContact CD2-CD2 3.47Å; L386-L462 VanDerWaalsContact CD2-CD2 3.47Å
387T92.3Very high94.1Very high0 Ų028.4 Ų28.40%014%0.142CC..THydrogen-bonded Turntrans-46.9-41.3-18040.10000115.1F389 G460 S461 A464T387-F389 VanDerWaalsContact C-N 3.31Å; T387-F389 PolarHBondContact O-N 3.26Å; T387-G460 VanDerWaalsContact CG2-O 3.27Å; T387-G460 WeakPolarHBondContact CG2-O 3.29Å; T387-S461 VanDerWaalsContact CB-O 3.28Å; T387-S461 WeakPolarHBondContact CB-O 3.47Å; T387-S461 VanDerWaalsContact CG2-C 3.46Å; T387-S461 WeakPolarHBondContact CG2-O 3.47Å; T387-S461 PolarHBondContact N-O 3.12Å; T387-S461 PolarHBondContact OG1-O 3.18Å; T387-A464 HydrophobicContact CG2-CB 4.32Å
388G91.3Very high93.9Very high1 Ų129.7 Ų29.71%0.0115%0.15CC..THydrogen-bonded Turntrans-67.2-28.9-178.200000114.1A379 L386 S391 K392A379-G388 WeakPolarHBondContact O-CA 3.22Å; L386-G388 PolarHBondContact O-N 3.26Å; L386-G388 VanDerWaalsContact O-N 3.08Å; G388-S391 PolarHBondContact O-N 2.93Å; G388-S391 PolarHBondContact O-OG 3.16Å; G388-K392 WeakPolarHBondContact O-CB 3.31Å; G388-K392 PolarHBondContact O-N 3.04Å
389F94.6Very high93.7Very high45 Ų4526.7 Ų26.720%0.19714%0.135CC..Hα-helixtrans-61.3-48.8178.9174.6-100.7000111.4M383 P384 L386 T387 S391 D393M383-F389 WeakPolarHBondContact O-CB 3.31Å; P384-F389 HydrophobicContact CB-CD2 4.44Å; L386-F389 WeakPolarHBondContact O-CB 3.4Å; L386-F389 PolarHBondContact O-N 3.49Å; T387-F389 VanDerWaalsContact C-N 3.31Å; T387-F389 PolarHBondContact O-N 3.26Å; F389-S391 PolarHBondContact O-N 3.2Å; F389-D393 HydrophobicContact CD2-CB 3.84Å; F389-D393 HydrophobicContact CE2-CB 3.82Å; F389-D393 VanDerWaalsContact CE2-CG 3.46Å; F389-D393 WeakPolarHBondContact CE2-OD2 3.46Å; F389-D393 HydrophobicContact CG-CB 4.42Å; F389-D393 HydrophobicContact CZ-CB 4.39Å; F389-D393 VanDerWaalsContact CZ-OD2 3.25Å; F389-D393 WeakPolarHBondContact CZ-OD2 3.42Å; F389-D393 WeakPolarHBondContact O-CB 3.43Å; F389-D393 PolarHBondContact O-N 3.41Å; F389-D393 VanDerWaalsContact O-N 3.1Å
390Y93.8Very high93.6Very high33 Ų3328 Ų2813%0.12914%0.142CC..Hα-helixtrans-62.6-15-176.7-61.1-82.2000115.4L386 H394 F466 T469L386-Y390 WeakPolarHBondContact O-CD2 3.45Å; Y390-H394 PolarHBondContact O-CD2 3.07Å; Y390-H394 VanDerWaalsContact O-CD2 3.26Å; Y390-F466 HydrophobicContact CE1-CB 4.42Å; Y390-F466 HydrophobicContact CE1-CD2 4.08Å; Y390-F466 HydrophobicContact CE2-CB 3.88Å; Y390-F466 AromaticContact CZ-CD2 3.83Å; Y390-F466 VanDerWaalsContact OH-CD2 3.27Å; Y390-F466 WeakPolarHBondContact OH-CD2 3.39Å; Y390-T469 HydrophobicContact CD1-CG2 4.18Å; Y390-T469 HydrophobicContact CG-CG2 4.05Å
391S93.9Very high93.4Very high0 Ų030.9 Ų30.90%016%0.157CC..Hα-helixtrans-106.7-58.8171.946.20000110.9H328 T331 G388 F389 D393 H394 I395H328-S391 WeakPolarHBondContact ND1-CB 3.23Å; H328-S391 PolarHBondContact ND1-OG 3.25Å; T331-S391 PolarHBondContact OG1-OG 2.93Å; T331-S391 VanDerWaalsContact OG1-OG 3.13Å; G388-S391 PolarHBondContact O-N 2.93Å; G388-S391 PolarHBondContact O-OG 3.16Å; F389-S391 PolarHBondContact O-N 3.2Å; S391-D393 VanDerWaalsContact C-N 3.33Å; S391-D393 PolarHBondContact O-N 3.02Å; S391-H394 PolarHBondContact O-N 3.25Å; S391-I395 WeakPolarHBondContact O-CG1 3.41Å; S391-I395 PolarHBondContact O-N 3.49Å
392K95Very high93.1Very high5 Ų532.2 Ų32.22%0.02217%0.165CC..Hα-helixtrans-65.1-35.3-167.6-164.2179.4-179.5-167.30112.7L312 L380 A381 G388 I396 T419L312-K392 HydrophobicContact CD2-CG 3.89Å; L380-K392 PolarHBondContact O-NZ 3.11Å; A381-K392 PolarHBondContact O-NZ 3.38Å; G388-K392 WeakPolarHBondContact O-CB 3.31Å; G388-K392 PolarHBondContact O-N 3.04Å; K392-I396 HydrophobicContact CG-CD1 4.38Å; K392-I396 WeakPolarHBondContact O-CD1 3.4Å; K392-I396 WeakPolarHBondContact O-CG1 3.4Å; K392-I396 PolarHBondContact O-N 3.19Å; K392-I396 VanDerWaalsContact O-N 3.16Å; K392-T419 PolarHBondContact NZ-OG1 2.97Å
393D94.3Very high93Very high14 Ų1443.5 Ų43.58%0.07521%0.205CC..Hα-helixtrans-66.3-51177.1-161.446.9000110.4F389 S391 I395 I396 E397 K487 A490F389-D393 HydrophobicContact CD2-CB 3.84Å; F389-D393 HydrophobicContact CE2-CB 3.82Å; F389-D393 VanDerWaalsContact CE2-CG 3.46Å; F389-D393 WeakPolarHBondContact CE2-OD2 3.46Å; F389-D393 HydrophobicContact CG-CB 4.42Å; F389-D393 HydrophobicContact CZ-CB 4.39Å; F389-D393 VanDerWaalsContact CZ-OD2 3.25Å; F389-D393 WeakPolarHBondContact CZ-OD2 3.42Å; F389-D393 WeakPolarHBondContact O-CB 3.43Å; F389-D393 PolarHBondContact O-N 3.41Å; F389-D393 VanDerWaalsContact O-N 3.1Å; S391-D393 VanDerWaalsContact C-N 3.33Å; S391-D393 PolarHBondContact O-N 3.02Å; D393-I395 VanDerWaalsContact C-N 3.29Å; D393-I395 PolarHBondContact O-N 2.97Å; D393-I396 PolarHBondContact O-N 2.73Å; D393-E397 VanDerWaalsContact CG-OE1 3.26Å; D393-E397 WeakPolarHBondContact O-CG 3.4Å; D393-E397 PolarHBondContact O-N 3.43Å; D393-K487 IonicContact OD2-NZ 3.79Å; D393-A490 VanDerWaalsContact OD1-CB 3.28Å; D393-A490 WeakPolarHBondContact OD1-CB 3.4Å
394H92.4Very high92.9Very high56 Ų5640.4 Ų40.426%0.25919%0.192SC..Hα-helixtrans-61.9-34.1176.1-70.3-42.3000113.5L324 Y390 S391 E397 T398L324-H394 HydrophobicContact CD2-CB 4.08Å; Y390-H394 PolarHBondContact O-CD2 3.07Å; Y390-H394 VanDerWaalsContact O-CD2 3.26Å; S391-H394 PolarHBondContact O-N 3.25Å; H394-E397 IonicContact CE1-OE2 2.84Å; H394-E397 IonicContact ND1-OE2 2.85Å; H394-E397 PolarHBondContact ND1-OE2 3.12Å; H394-E397 PolarHBondContact O-N 2.98Å; H394-T398 WeakPolarHBondContact O-CB 3.46Å; H394-T398 WeakPolarHBondContact O-CG2 3.44Å; H394-T398 PolarHBondContact O-N 3.4Å; H394-T398 PolarHBondContact O-OG1 2.94Å
395I95.1Very high92.9Very high1 Ų142 Ų421%0.00520%0.198CC..Hα-helixtrans-60.9-46.3172.8-73.4169.4000110.9L312 T316 L324 H328 S391 D393 T398 A399L312-I395 HydrophobicContact CD1-CG2 3.87Å; L312-I395 HydrophobicContact CD2-CD1 4.48Å; L312-I395 HydrophobicContact CD2-CG2 4.31Å; L312-I395 HydrophobicContact CG-CG2 4.02Å; T316-I395 HydrophobicContact CG2-CB 3.81Å; T316-I395 HydrophobicContact CG2-CD1 3.63Å; T316-I395 HydrophobicContact CG2-CG1 3.38Å; T316-I395 HydrophobicContact CG2-CG2 3.2Å; L324-I395 HydrophobicContact CB-CG1 4.32Å; H328-I395 HydrophobicContact CB-CD1 3.78Å; S391-I395 WeakPolarHBondContact O-CG1 3.41Å; S391-I395 PolarHBondContact O-N 3.49Å; D393-I395 VanDerWaalsContact C-N 3.29Å; D393-I395 PolarHBondContact O-N 2.97Å; I395-T398 PolarHBondContact O-OG1 3.48Å; I395-T398 VanDerWaalsContact O-OG1 3.04Å; I395-A399 VanDerWaalsContact O-CB 3.31Å; I395-A399 WeakPolarHBondContact O-CB 3.37Å; I395-A399 PolarHBondContact O-N 3.22Å
396I94.8Very high93Very high9 Ų938.1 Ų38.15%0.04620%0.195CC..Hα-helixtrans-70.7-38.2-179.1-66.2164000110.6K392 D393 A399 N400 L413 T416 A490K392-I396 HydrophobicContact CG-CD1 4.38Å; K392-I396 WeakPolarHBondContact O-CD1 3.4Å; K392-I396 WeakPolarHBondContact O-CG1 3.4Å; K392-I396 PolarHBondContact O-N 3.19Å; K392-I396 VanDerWaalsContact O-N 3.16Å; D393-I396 PolarHBondContact O-N 2.73Å; I396-A399 PolarHBondContact O-N 3.27Å; I396-N400 WeakPolarHBondContact O-CB 3.27Å; I396-N400 VanDerWaalsContact O-CG 3.25Å; I396-N400 PolarHBondContact O-N 2.95Å; I396-N400 PolarHBondContact O-ND2 3.49Å; I396-L413 HydrophobicContact CG2-CD2 3.75Å; I396-T416 HydrophobicContact CD1-CG2 3.7Å; I396-T416 HydrophobicContact CG1-CG2 4.38Å; I396-A490 HydrophobicContact CB-CB 4.1Å; I396-A490 HydrophobicContact CD1-CB 3.53Å; I396-A490 HydrophobicContact CG1-CB 4.42Å; I396-A490 HydrophobicContact CG2-CB 4.01Å
397E93.6Very high93.1Very high19 Ų1943.2 Ų43.29%0.08921%0.213CC..Hα-helixtrans-60.3-50.2174.7-78.2161.5-15200112.5D393 H394 A399 N400 M401 I482 K487D393-E397 VanDerWaalsContact CG-OE1 3.26Å; D393-E397 WeakPolarHBondContact O-CG 3.4Å; D393-E397 PolarHBondContact O-N 3.43Å; H394-E397 IonicContact CE1-OE2 2.84Å; H394-E397 IonicContact ND1-OE2 2.85Å; H394-E397 PolarHBondContact ND1-OE2 3.12Å; H394-E397 PolarHBondContact O-N 2.98Å; E397-A399 VanDerWaalsContact C-N 3.31Å; E397-A399 PolarHBondContact O-N 3.5Å; E397-N400 PolarHBondContact O-N 3.15Å; E397-M401 WeakPolarHBondContact O-CG 3.2Å; E397-M401 PolarHBondContact O-N 3.1Å; E397-M401 VanDerWaalsContact O-N 3.08Å; E397-I482 HydrophobicContact CG-CD1 4.24Å; E397-K487 HydrophobicContact CG-CD 4.24Å; E397-K487 WeakPolarHBondContact OE1-CD 3.23Å; E397-K487 WeakPolarHBondContact OE1-CE 3.37Å; E397-K487 IonicContact OE1-NZ 2.62Å; E397-K487 PolarHBondContact OE1-NZ 2.91Å; E397-K487 IonicContact OE2-NZ 2.66Å; E397-K487 PolarHBondContact OE2-NZ 2.62Å
398T92.1Very high93.3Very high28 Ų2843.2 Ų43.217%0.17221%0.213CC..Hα-helixtrans-65.5-35.3178.451.40000111.7L324 H394 I395 M401 S402L324-T398 HydrophobicContact CD1-CG2 3.81Å; H394-T398 WeakPolarHBondContact O-CB 3.46Å; H394-T398 WeakPolarHBondContact O-CG2 3.44Å; H394-T398 PolarHBondContact O-N 3.4Å; H394-T398 PolarHBondContact O-OG1 2.94Å; I395-T398 PolarHBondContact O-OG1 3.48Å; I395-T398 VanDerWaalsContact O-OG1 3.04Å; T398-M401 PolarHBondContact O-N 3.28Å; T398-S402 VanDerWaalsContact O-CB 3.25Å; T398-S402 WeakPolarHBondContact O-CB 3.47Å; T398-S402 PolarHBondContact O-N 2.96Å; T398-S402 VanDerWaalsContact O-N 3.13Å; T398-S402 PolarHBondContact O-OG 3.07Å
399A92.4Very high93.5Very high6 Ų644.8 Ų44.85%0.0522%0.221CC..Hα-helixtrans-62.6-44.8172.600000112.5I319 I395 I396 E397 M401 S402 T404 L409I319-A399 HydrophobicContact CD1-CB 3.51Å; I395-A399 VanDerWaalsContact O-CB 3.31Å; I395-A399 WeakPolarHBondContact O-CB 3.37Å; I395-A399 PolarHBondContact O-N 3.22Å; I396-A399 PolarHBondContact O-N 3.27Å; E397-A399 VanDerWaalsContact C-N 3.31Å; E397-A399 PolarHBondContact O-N 3.5Å; A399-M401 VanDerWaalsContact C-N 3.32Å; A399-M401 PolarHBondContact O-N 2.73Å; A399-S402 PolarHBondContact O-OG 2.95Å; A399-S402 VanDerWaalsContact O-OG 3.14Å; A399-T404 PolarHBondContact O-OG1 3.45Å; A399-L409 HydrophobicContact CB-CD1 4.39Å; A399-L409 VanDerWaalsContact O-CD1 3.22Å; A399-L409 WeakPolarHBondContact O-CD1 3.15Å
400N92.9Very high93.6Very high27 Ų2745.1 Ų45.114%0.14423%0.229CC..Hα-helixtrans-66.6-29.9179.7-75.2-17.8000114.1I396 E397 L409 L486 T489I396-N400 WeakPolarHBondContact O-CB 3.27Å; I396-N400 VanDerWaalsContact O-CG 3.25Å; I396-N400 PolarHBondContact O-N 2.95Å; I396-N400 PolarHBondContact O-ND2 3.49Å; E397-N400 PolarHBondContact O-N 3.15Å; N400-L409 WeakPolarHBondContact OD1-CD1 3.33Å; N400-L486 HydrophobicContact CB-CD2 4.17Å; N400-T489 PolarHBondContact ND2-OG1 2.86Å
401M90.9Very high93.7Very high63 Ų6344.1 Ų44.131%0.3123%0.226SC..Hα-helixtrans-93.8-16.8-176.6-65.9-57.9-6200114.1E397 T398 A399 I482 L486E397-M401 WeakPolarHBondContact O-CG 3.2Å; E397-M401 PolarHBondContact O-N 3.1Å; E397-M401 VanDerWaalsContact O-N 3.08Å; T398-M401 PolarHBondContact O-N 3.28Å; A399-M401 VanDerWaalsContact C-N 3.32Å; A399-M401 PolarHBondContact O-N 2.73Å; M401-I482 HydrophobicContact CE-CG2 3.98Å; M401-I482 HydrophobicContact CG-CG2 3.56Å; M401-I482 HydrophobicContact SD-CB 4.32Å; M401-I482 HydrophobicContact SD-CG2 3.61Å; M401-L486 HydrophobicContact SD-CD1 3.61Å
402S89Confident93.9Very high39 Ų3944.5 Ų44.527%0.27323%0.228SC..SBendtrans-87.3158.1-177.650.50000112.1I319 T398 A399 T404I319-S402 WeakPolarHBondContact CG2-OG 3.36Å; T398-S402 VanDerWaalsContact O-CB 3.25Å; T398-S402 WeakPolarHBondContact O-CB 3.47Å; T398-S402 PolarHBondContact O-N 2.96Å; T398-S402 VanDerWaalsContact O-N 3.13Å; T398-S402 PolarHBondContact O-OG 3.07Å; A399-S402 PolarHBondContact O-OG 2.95Å; A399-S402 VanDerWaalsContact O-OG 3.14Å; S402-T404 PolarHBondContact O-N 3.47Å; S402-T404 PolarHBondContact O-OG1 3.5Å; S402-T404 WeakPolarHBondContact OG-CG2 3.49Å
403Y89.6Confident94Very high251 Ų25145.9 Ų45.998%0.98424%0.236SC*.SBendtrans-71.472.7172.9-68.8-73.5000110.9
404T91.1Very high94.1Very high36 Ų3649.2 Ų49.222%0.22125%0.253CS..  trans-101.2160.5-177.250.80000112.4I319 A399 S402 A406I319-T404 HydrophobicContact CD1-CG2 4.24Å; I319-T404 HydrophobicContact CG1-CG2 3.66Å; I319-T404 HydrophobicContact CG2-CG2 4.31Å; A399-T404 PolarHBondContact O-OG1 3.45Å; S402-T404 PolarHBondContact O-N 3.47Å; S402-T404 PolarHBondContact O-OG1 3.5Å; S402-T404 WeakPolarHBondContact OG-CG2 3.49Å; T404-A406 PolarHBondContact O-N 3.37Å; T404-A406 VanDerWaalsContact O-N 3.15Å
405N94.8Very high94.3Very high70 Ų7046.7 Ų46.737%0.37424%0.241SC..  trans-63.5115168-176.5-8.6000109.6L278 W407 A408 L409L278-N405 HydrophobicContact CD2-CB 3.88Å; N405-W407 PolarHBondContact O-N 3.4Å; N405-W407 VanDerWaalsContact O-N 3.14Å; N405-W407 WeakPolarHBondContact OD1-CB 3.23Å; N405-W407 PolarHBondContact OD1-N 2.87Å; N405-W407 VanDerWaalsContact OD1-N 3.09Å; N405-A408 HydrophobicContact CB-CB 4.15Å; N405-A408 WeakPolarHBondContact O-CB 3.29Å; N405-A408 PolarHBondContact O-N 3.41Å; N405-L409 PolarHBondContact O-N 3.33Å; N405-L409 VanDerWaalsContact O-N 3.1Å
406A94.8Very high94.4Very high76 Ų7646.8 Ų46.863%0.62824%0.242SC*.Hα-helixtrans-55.5-33.3-17900000112.9T404 L409 S410T404-A406 PolarHBondContact O-N 3.37Å; T404-A406 VanDerWaalsContact O-N 3.15Å; A406-L409 PolarHBondContact O-N 2.94Å; A406-S410 WeakPolarHBondContact O-CB 3.36Å; A406-S410 PolarHBondContact O-N 3.47Å; A406-S410 PolarHBondContact O-OG 2.59Å
407W96.6Very high94.5Very high128 Ų12847.2 Ų47.249%0.48525%0.246SC..Hα-helixtrans-65.7-47.5176.5-178.178.9000111.7I283 N405 L409 S410 I411I283-W407 HydrophobicContact CD1-CH2 3.79Å; I283-W407 HydrophobicContact CD1-CZ3 4Å; I283-W407 HydrophobicContact CG1-CH2 3.48Å; I283-W407 VanDerWaalsContact CG1-CH2 3.48Å; I283-W407 HydrophobicContact CG1-CZ3 3.72Å; N405-W407 PolarHBondContact O-N 3.4Å; N405-W407 VanDerWaalsContact O-N 3.14Å; N405-W407 WeakPolarHBondContact OD1-CB 3.23Å; N405-W407 PolarHBondContact OD1-N 2.87Å; N405-W407 VanDerWaalsContact OD1-N 3.09Å; W407-L409 VanDerWaalsContact C-N 3.28Å; W407-L409 PolarHBondContact O-N 3.41Å; W407-S410 PolarHBondContact O-N 2.98Å; W407-S410 PolarHBondContact O-OG 3.33Å; W407-I411 HydrophobicContact CD2-CD1 3.57Å; W407-I411 HydrophobicContact CD2-CG1 4.49Å; W407-I411 HydrophobicContact CE3-CD1 3.93Å; W407-I411 HydrophobicContact CG-CD1 4.29Å; W407-I411 HydrophobicContact CH2-CD1 3.63Å; W407-I411 HydrophobicContact CZ2-CD1 3.18Å; W407-I411 HydrophobicContact CZ3-CD1 3.96Å; W407-I411 WeakPolarHBondContact O-CG1 3.21Å; W407-I411 PolarHBondContact O-N 2.89Å; W407-I411 VanDerWaalsContact O-N 3.08Å
408A96.4Very high94.6Very high1 Ų147.8 Ų47.81%0.00825%0.249CC..Hα-helixtrans-59.8-42.117800000111L278 A282 N405 I411 T412L278-A408 HydrophobicContact CD2-CB 3.77Å; L278-A408 HydrophobicContact CG-CB 3.85Å; A282-A408 HydrophobicContact CB-CB 3.74Å; N405-A408 HydrophobicContact CB-CB 4.15Å; N405-A408 WeakPolarHBondContact O-CB 3.29Å; N405-A408 PolarHBondContact O-N 3.41Å; A408-I411 PolarHBondContact O-N 3.01Å; A408-T412 VanDerWaalsContact O-CG2 3.23Å; A408-T412 WeakPolarHBondContact O-CG2 3.3Å; A408-T412 PolarHBondContact O-N 3.43Å; A408-T412 PolarHBondContact O-OG1 2.8Å
409L95.9Very high94.9Very high34 Ų3446.5 Ų46.518%0.17824%0.242CC..Hα-helixtrans-64.8-45.5176.9-176142.4000113.2A399 N400 N405 A406 W407 I411 T412 L413A399-L409 HydrophobicContact CB-CD1 4.39Å; A399-L409 VanDerWaalsContact O-CD1 3.22Å; A399-L409 WeakPolarHBondContact O-CD1 3.15Å; N400-L409 WeakPolarHBondContact OD1-CD1 3.33Å; N405-L409 PolarHBondContact O-N 3.33Å; N405-L409 VanDerWaalsContact O-N 3.1Å; A406-L409 PolarHBondContact O-N 2.94Å; W407-L409 VanDerWaalsContact C-N 3.28Å; W407-L409 PolarHBondContact O-N 3.41Å; L409-I411 VanDerWaalsContact C-N 3.25Å; L409-I411 PolarHBondContact O-N 3.38Å; L409-T412 WeakPolarHBondContact CA-OG1 3.45Å; L409-T412 PolarHBondContact O-N 3.45Å; L409-T412 PolarHBondContact O-OG1 2.78Å; L409-L413 HydrophobicContact CD2-CD1 3.73Å; L409-L413 HydrophobicContact CD2-CG 4.41Å; L409-L413 WeakPolarHBondContact O-CG 3.21Å; L409-L413 PolarHBondContact O-N 3.42Å
410S96.1Very high95Very high52 Ų5246.3 Ų46.336%0.36424%0.24SC..Hα-helixtrans-61-38.9178.167.70000111.7A406 W407 L413 I414A406-S410 WeakPolarHBondContact O-CB 3.36Å; A406-S410 PolarHBondContact O-N 3.47Å; A406-S410 PolarHBondContact O-OG 2.59Å; W407-S410 PolarHBondContact O-N 2.98Å; W407-S410 PolarHBondContact O-OG 3.33Å; S410-L413 PolarHBondContact O-N 2.62Å; S410-I414 VanDerWaalsContact O-CG1 3.31Å; S410-I414 WeakPolarHBondContact O-CG1 3.27Å; S410-I414 PolarHBondContact O-N 3.11Å
411I96.7Very high95.2Very high12 Ų1245.4 Ų45.46%0.06224%0.236CC..Hα-helixtrans-68.6-41.7178.2-73-177.5000111.9A282 L286 W407 A408 L409 L413 I414 A415A282-I411 HydrophobicContact CB-CG2 4.44Å; A282-I411 VanDerWaalsContact O-CG2 3.28Å; A282-I411 WeakPolarHBondContact O-CG2 3.46Å; L286-I411 HydrophobicContact CB-CG2 3.45Å; L286-I411 VanDerWaalsContact CB-CG2 3.45Å; L286-I411 HydrophobicContact CD1-CG2 4.26Å; L286-I411 HydrophobicContact CD2-CD1 4.37Å; L286-I411 HydrophobicContact CD2-CG1 4.42Å; L286-I411 HydrophobicContact CD2-CG2 3.82Å; L286-I411 HydrophobicContact CG-CG2 4.02Å; W407-I411 HydrophobicContact CD2-CD1 3.57Å; W407-I411 HydrophobicContact CD2-CG1 4.49Å; W407-I411 HydrophobicContact CE3-CD1 3.93Å; W407-I411 HydrophobicContact CG-CD1 4.29Å; W407-I411 HydrophobicContact CH2-CD1 3.63Å; W407-I411 HydrophobicContact CZ2-CD1 3.18Å; W407-I411 HydrophobicContact CZ3-CD1 3.96Å; W407-I411 WeakPolarHBondContact O-CG1 3.21Å; W407-I411 PolarHBondContact O-N 2.89Å; W407-I411 VanDerWaalsContact O-N 3.08Å; A408-I411 PolarHBondContact O-N 3.01Å; L409-I411 VanDerWaalsContact C-N 3.25Å; L409-I411 PolarHBondContact O-N 3.38Å; I411-L413 VanDerWaalsContact C-N 3.33Å; I411-L413 PolarHBondContact O-N 3.47Å; I411-I414 PolarHBondContact O-N 3.2Å; I411-A415 WeakPolarHBondContact O-CB 3.31Å; I411-A415 PolarHBondContact O-N 3.25Å
412T97Very high95.4Very high8 Ų842.4 Ų42.45%0.04922%0.221CC..Hα-helixtrans-66-38.5178.3560000111A282 V315 A408 L409 A415 T416A282-T412 HydrophobicContact CB-CG2 3.99Å; V315-T412 HydrophobicContact CB-CG2 4.4Å; V315-T412 HydrophobicContact CG1-CG2 4.01Å; V315-T412 HydrophobicContact CG2-CG2 3.71Å; A408-T412 VanDerWaalsContact O-CG2 3.23Å; A408-T412 WeakPolarHBondContact O-CG2 3.3Å; A408-T412 PolarHBondContact O-N 3.43Å; A408-T412 PolarHBondContact O-OG1 2.8Å; L409-T412 WeakPolarHBondContact CA-OG1 3.45Å; L409-T412 PolarHBondContact O-N 3.45Å; L409-T412 PolarHBondContact O-OG1 2.78Å; T412-A415 PolarHBondContact O-N 3.04Å; T412-T416 WeakPolarHBondContact O-CG2 3.25Å; T412-T416 PolarHBondContact O-N 3.07Å
413L96.7Very high95.7Very high33 Ų3340.8 Ų40.817%0.17321%0.21CC..Hα-helixtrans-60.8-48.1171.9-68.6176000111.3I396 L409 S410 I411 A415 T416 S417 V493I396-L413 HydrophobicContact CG2-CD2 3.75Å; L409-L413 HydrophobicContact CD2-CD1 3.73Å; L409-L413 HydrophobicContact CD2-CG 4.41Å; L409-L413 WeakPolarHBondContact O-CG 3.21Å; L409-L413 PolarHBondContact O-N 3.42Å; S410-L413 PolarHBondContact O-N 2.62Å; I411-L413 VanDerWaalsContact C-N 3.33Å; I411-L413 PolarHBondContact O-N 3.47Å; L413-A415 VanDerWaalsContact C-N 3.31Å; L413-A415 PolarHBondContact O-N 3.19Å; L413-T416 PolarHBondContact O-N 3.12Å; L413-T416 VanDerWaalsContact O-N 3.11Å; L413-T416 PolarHBondContact O-OG1 3.38Å; L413-S417 PolarHBondContact O-N 3.28Å; L413-S417 VanDerWaalsContact O-N 3.11Å; L413-V493 WeakPolarHBondContact O-CG1 3.4Å
414I97.6Very high96Very high84 Ų8429.4 Ų29.443%0.43117%0.166SC..Hα-helixtrans-57.6-46.2174.7-66.2163.7000110.5L286 S410 I411 T416 S417 L418L286-I414 HydrophobicContact CD1-CB 4.29Å; L286-I414 HydrophobicContact CD1-CG2 3.75Å; S410-I414 VanDerWaalsContact O-CG1 3.31Å; S410-I414 WeakPolarHBondContact O-CG1 3.27Å; S410-I414 PolarHBondContact O-N 3.11Å; I411-I414 PolarHBondContact O-N 3.2Å; I414-T416 VanDerWaalsContact C-N 3.28Å; I414-T416 PolarHBondContact O-N 2.86Å; I414-S417 WeakPolarHBondContact O-CB 3.27Å; I414-S417 PolarHBondContact O-N 3.49Å; I414-S417 VanDerWaalsContact O-N 3.1Å; I414-S417 PolarHBondContact O-OG 3.21Å; I414-L418 HydrophobicContact CG2-CD1 4.35Å; I414-L418 HydrophobicContact CG2-CG 4.42Å; I414-L418 WeakPolarHBondContact O-CG 3.41Å; I414-L418 PolarHBondContact O-N 3.15Å
415A96.9Very high96.2Very high3 Ų329.8 Ų29.83%0.02516%0.164CC..Hα-helixtrans-59.2-38.7177.800000112.1I411 T412 L413 S417 L418 T419I411-A415 WeakPolarHBondContact O-CB 3.31Å; I411-A415 PolarHBondContact O-N 3.25Å; T412-A415 PolarHBondContact O-N 3.04Å; L413-A415 VanDerWaalsContact C-N 3.31Å; L413-A415 PolarHBondContact O-N 3.19Å; A415-S417 PolarHBondContact O-N 3.03Å; A415-L418 PolarHBondContact O-N 3.24Å; A415-L418 VanDerWaalsContact O-N 3.17Å; A415-T419 WeakPolarHBondContact O-CG2 3.28Å; A415-T419 PolarHBondContact O-N 3.31Å
416T96.2Very high96.2Very high4 Ų426.6 Ų26.63%0.02515%0.147CC..Hα-helixtrans-63.8-38.2175.665.80000112.3I396 T412 L413 I414 L418 T419 S420 V493I396-T416 HydrophobicContact CD1-CG2 3.7Å; I396-T416 HydrophobicContact CG1-CG2 4.38Å; T412-T416 WeakPolarHBondContact O-CG2 3.25Å; T412-T416 PolarHBondContact O-N 3.07Å; L413-T416 PolarHBondContact O-N 3.12Å; L413-T416 VanDerWaalsContact O-N 3.11Å; L413-T416 PolarHBondContact O-OG1 3.38Å; I414-T416 VanDerWaalsContact C-N 3.28Å; I414-T416 PolarHBondContact O-N 2.86Å; T416-L418 VanDerWaalsContact C-N 3.35Å; T416-T419 PolarHBondContact O-N 3.5Å; T416-T419 PolarHBondContact O-OG1 2.99Å; T416-S420 PolarHBondContact O-N 2.82Å; T416-V493 VanDerWaalsContact OG1-CG1 3.29Å; T416-V493 WeakPolarHBondContact OG1-CG1 3.14Å
417S97.2Very high96.2Very high18 Ų1824.4 Ų24.413%0.12612%0.124CC..Hα-helixtrans-63.9-40.5171.775.40000112.1L413 I414 A415 T419 S420 A421 G497L413-S417 PolarHBondContact O-N 3.28Å; L413-S417 VanDerWaalsContact O-N 3.11Å; I414-S417 WeakPolarHBondContact O-CB 3.27Å; I414-S417 PolarHBondContact O-N 3.49Å; I414-S417 VanDerWaalsContact O-N 3.1Å; I414-S417 PolarHBondContact O-OG 3.21Å; A415-S417 PolarHBondContact O-N 3.03Å; S417-T419 PolarHBondContact O-N 3Å; S417-S420 PolarHBondContact O-N 3.46Å; S417-S420 PolarHBondContact O-OG 2.97Å; S417-A421 PolarHBondContact O-N 2.89Å; S417-A421 VanDerWaalsContact O-N 3.07Å; S417-G497 WeakPolarHBondContact O-CA 3.26Å
418L96.8Very high96.1Very high30 Ų3020 Ų2016%0.15711%0.11CC..Hα-helixtrans-66.5-29.6177.3-64.2-176.5000111.5L286 A289 V290 L293 I414 A415 T416 A421 Y422L286-L418 HydrophobicContact CD1-CD1 4.26Å; A289-L418 HydrophobicContact CB-CB 3.73Å; A289-L418 HydrophobicContact CB-CD1 4.02Å; V290-L418 HydrophobicContact CG2-CD1 3.7Å; L293-L418 HydrophobicContact CD1-CD1 4.41Å; L293-L418 HydrophobicContact CD1-CD2 3.83Å; L293-L418 HydrophobicContact CD2-CD2 4.4Å; I414-L418 HydrophobicContact CG2-CD1 4.35Å; I414-L418 HydrophobicContact CG2-CG 4.42Å; I414-L418 WeakPolarHBondContact O-CG 3.41Å; I414-L418 PolarHBondContact O-N 3.15Å; A415-L418 PolarHBondContact O-N 3.24Å; A415-L418 VanDerWaalsContact O-N 3.17Å; T416-L418 VanDerWaalsContact C-N 3.35Å; L418-A421 PolarHBondContact O-N 2.65Å; L418-Y422 WeakPolarHBondContact O-CD1 3.39Å; L418-Y422 PolarHBondContact O-N 2.96Å
419T96.4Very high96Very high2 Ų221.9 Ų21.91%0.01212%0.12CC..Hα-helixtrans-62.2-42.8175.170.40000113.5K392 A415 T416 S417 Y422 S423K392-T419 PolarHBondContact NZ-OG1 2.97Å; A415-T419 WeakPolarHBondContact O-CG2 3.28Å; A415-T419 PolarHBondContact O-N 3.31Å; T416-T419 PolarHBondContact O-N 3.5Å; T416-T419 PolarHBondContact O-OG1 2.99Å; S417-T419 PolarHBondContact O-N 3Å; T419-Y422 VanDerWaalsContact CA-CZ 3.48Å; T419-Y422 WeakPolarHBondContact CB-OH 3.45Å; T419-Y422 HydrophobicContact CG2-CE1 3.95Å; T419-Y422 WeakPolarHBondContact CG2-OH 3.44Å; T419-S423 VanDerWaalsContact O-CB 3.27Å; T419-S423 WeakPolarHBondContact O-CB 3.32Å; T419-S423 PolarHBondContact O-N 3.03Å; T419-S423 PolarHBondContact O-OG 3.06Å
420S95.9Very high96Very high1 Ų120.3 Ų20.31%0.00711%0.111CC..Hα-helixtrans-68-40.2172.358.90000110.4T416 S417 S423 T424 T494 G497 L498T416-S420 PolarHBondContact O-N 2.82Å; S417-S420 PolarHBondContact O-N 3.46Å; S417-S420 PolarHBondContact O-OG 2.97Å; S420-S423 WeakPolarHBondContact CA-OG 3.32Å; S420-S423 PolarHBondContact O-N 3.46Å; S420-S423 PolarHBondContact O-OG 3.16Å; S420-T424 VanDerWaalsContact O-CG2 3.31Å; S420-T424 WeakPolarHBondContact O-CG2 3.43Å; S420-T424 PolarHBondContact O-N 3.34Å; S420-T424 PolarHBondContact O-OG1 3.17Å; S420-T494 VanDerWaalsContact CB-O 3.3Å; S420-T494 WeakPolarHBondContact CB-O 3.46Å; S420-T494 PolarHBondContact OG-O 2.94Å; S420-G497 VanDerWaalsContact OG-C 3.31Å; S420-G497 VanDerWaalsContact OG-CA 3.25Å; S420-G497 WeakPolarHBondContact OG-CA 2.99Å; S420-L498 PolarHBondContact OG-N 3.12Å
421A96.6Very high96Very high8 Ų817.9 Ų17.97%0.06610%0.095CC..Hα-helixtrans-61-47.3-178.900000115.1L293 S417 L418 S423 T424 R425 A501L293-A421 HydrophobicContact CD2-CB 3.98Å; S417-A421 PolarHBondContact O-N 2.89Å; S417-A421 VanDerWaalsContact O-N 3.07Å; L418-A421 PolarHBondContact O-N 2.65Å; A421-S423 VanDerWaalsContact C-N 3.34Å; A421-T424 PolarHBondContact O-OG1 3.1Å; A421-R425 WeakPolarHBondContact O-CB 3.48Å; A421-R425 PolarHBondContact O-N 2.79Å; A421-R425 VanDerWaalsContact O-N 3.1Å; A421-A501 HydrophobicContact CB-CB 3.93Å; A421-A501 WeakPolarHBondContact O-CB 3.42Å
422Y96Very high95.8Very high1 Ų120 Ų200%0.00411%0.108CC..Hα-helixtrans-73.2-28.6177.164.1-116.6000112.1A289 A292 I301 S305 L380 L418 T419 M426A289-Y422 HydrophobicContact CB-CE1 4.1Å; A292-Y422 HydrophobicContact CB-CD1 3.64Å; A292-Y422 HydrophobicContact CB-CE1 4.12Å; A292-Y422 HydrophobicContact CB-CG 3.89Å; I301-Y422 HydrophobicContact CG2-CD2 4.44Å; S305-Y422 VanDerWaalsContact CB-CE2 3.42Å; S305-Y422 WeakPolarHBondContact CB-OH 3.2Å; L380-Y422 HydrophobicContact CD2-CE2 4.02Å; L418-Y422 WeakPolarHBondContact O-CD1 3.39Å; L418-Y422 PolarHBondContact O-N 2.96Å; T419-Y422 VanDerWaalsContact CA-CZ 3.48Å; T419-Y422 WeakPolarHBondContact CB-OH 3.45Å; T419-Y422 HydrophobicContact CG2-CE1 3.95Å; T419-Y422 WeakPolarHBondContact CG2-OH 3.44Å; Y422-M426 PolarHBondContact O-N 3.12Å
423S95.3Very high95.4Very high4 Ų422.2 Ų22.23%0.02813%0.133CC..Hα-helixtrans-68.7-42.3178.274.90000111.4T419 S420 A421 M426 I427T419-S423 VanDerWaalsContact O-CB 3.27Å; T419-S423 WeakPolarHBondContact O-CB 3.32Å; T419-S423 PolarHBondContact O-N 3.03Å; T419-S423 PolarHBondContact O-OG 3.06Å; S420-S423 WeakPolarHBondContact CA-OG 3.32Å; S420-S423 PolarHBondContact O-N 3.46Å; S420-S423 PolarHBondContact O-OG 3.16Å; A421-S423 VanDerWaalsContact C-N 3.34Å; S423-M426 WeakPolarHBondContact O-CB 2.93Å; S423-M426 PolarHBondContact O-N 3.31Å; S423-I427 WeakPolarHBondContact O-CG1 3.28Å; S423-I427 PolarHBondContact O-N 2.99Å; S423-I427 VanDerWaalsContact O-N 3.08Å
424T95Very high95.2Very high12 Ų1227.9 Ų27.97%0.07416%0.158CC..Hα-helixtrans-70.1-39.4176.654.30000111.1S420 A421 M426 I427 L428 L498 A501S420-T424 VanDerWaalsContact O-CG2 3.31Å; S420-T424 WeakPolarHBondContact O-CG2 3.43Å; S420-T424 PolarHBondContact O-N 3.34Å; S420-T424 PolarHBondContact O-OG1 3.17Å; A421-T424 PolarHBondContact O-OG1 3.1Å; T424-M426 VanDerWaalsContact C-N 3.32Å; T424-M426 PolarHBondContact O-N 3.49Å; T424-I427 PolarHBondContact O-N 2.8Å; T424-L428 WeakPolarHBondContact O-CB 3.44Å; T424-L428 WeakPolarHBondContact O-CD1 3.28Å; T424-L428 WeakPolarHBondContact O-CG 3.4Å; T424-L428 PolarHBondContact O-N 2.92Å; T424-L498 HydrophobicContact CG2-CB 4.2Å; T424-L498 HydrophobicContact CG2-CD1 3.89Å; T424-L498 HydrophobicContact CG2-CG 3.81Å; T424-A501 WeakPolarHBondContact OG1-CB 3.26Å
425R95.3Very high95Very high44 Ų4427.2 Ų27.217%0.16616%0.16CC..Hα-helixtrans-54.1-47.5169.9172-177.6157.9131.8-2.7111.7L293 T294 Q295 N296 A421 L428 L429L293-R425 WeakPolarHBondContact O-CD 3.42Å; L293-R425 PolarHBondContact O-NE 2.63Å; L293-R425 VanDerWaalsContact O-NE 3.1Å; L293-R425 PolarHBondContact O-NH1 2.98Å; T294-R425 PolarHBondContact O-NH2 3.22Å; Q295-R425 PolarHBondContact O-NH2 3.22Å; N296-R425 PolarHBondContact OD1-NH2 3.13Å; N296-R425 VanDerWaalsContact OD1-NH2 3.14Å; A421-R425 WeakPolarHBondContact O-CB 3.48Å; A421-R425 PolarHBondContact O-N 2.79Å; A421-R425 VanDerWaalsContact O-N 3.1Å; R425-L428 PolarHBondContact O-N 3.47Å; R425-L429 HydrophobicContact CG-CD1 3.81Å; R425-L429 WeakPolarHBondContact O-CB 3.32Å; R425-L429 PolarHBondContact O-N 3.46Å
426M95.2Very high94.9Very high3 Ų332 Ų322%0.01518%0.177CC..Hα-helixtrans-59-50.7178.1-175-147.7-57.600110.9I298 I301 V302 L373 Y422 S423 T424 L428 T430I298-M426 HydrophobicContact CD1-CG 4.48Å; I298-M426 HydrophobicContact CG1-CG 4.32Å; I301-M426 HydrophobicContact CG2-CE 4.22Å; V302-M426 HydrophobicContact CG2-CE 3.89Å; L373-M426 HydrophobicContact CD1-SD 4.08Å; L373-M426 HydrophobicContact CD2-SD 4.28Å; L373-M426 HydrophobicContact CG-SD 4.36Å; Y422-M426 PolarHBondContact O-N 3.12Å; S423-M426 WeakPolarHBondContact O-CB 2.93Å; S423-M426 PolarHBondContact O-N 3.31Å; T424-M426 VanDerWaalsContact C-N 3.32Å; T424-M426 PolarHBondContact O-N 3.49Å; M426-L428 PolarHBondContact O-N 3.41Å; M426-T430 HydrophobicContact CG-CG2 4.44Å; M426-T430 WeakPolarHBondContact O-CB 3.35Å; M426-T430 VanDerWaalsContact O-CG2 3.24Å; M426-T430 WeakPolarHBondContact O-CG2 3.33Å; M426-T430 PolarHBondContact O-N 2.96Å; M426-T430 PolarHBondContact O-OG1 3.43Å
427I95.6Very high94.7Very high31 Ų3133.8 Ų33.816%0.15918%0.184CC..Hα-helixtrans-57.6-49.4178.7-67.2165.3000111.1T374 S377 S423 T424 L431T374-I427 HydrophobicContact CG2-CG2 4.24Å; S377-I427 WeakPolarHBondContact OG-CD1 3.25Å; S423-I427 WeakPolarHBondContact O-CG1 3.28Å; S423-I427 PolarHBondContact O-N 2.99Å; S423-I427 VanDerWaalsContact O-N 3.08Å; T424-I427 PolarHBondContact O-N 2.8Å; I427-L431 HydrophobicContact CG2-CD1 4.24Å; I427-L431 VanDerWaalsContact O-CB 3.29Å; I427-L431 WeakPolarHBondContact O-CB 3.21Å; I427-L431 PolarHBondContact O-N 2.8Å
428L94.1Very high94.5Very high34 Ų3436.2 Ų36.218%0.17820%0.2CC..Hα-helixtrans-65.4-47.3-173.7-70.7161.5000111.6T424 R425 M426 T432 L502 N505T424-L428 WeakPolarHBondContact O-CB 3.44Å; T424-L428 WeakPolarHBondContact O-CD1 3.28Å; T424-L428 WeakPolarHBondContact O-CG 3.4Å; T424-L428 PolarHBondContact O-N 2.92Å; R425-L428 PolarHBondContact O-N 3.47Å; M426-L428 PolarHBondContact O-N 3.41Å; L428-T432 WeakPolarHBondContact CA-OG1 3.5Å; L428-T432 HydrophobicContact CD2-CG2 4.35Å; L428-T432 PolarHBondContact O-N 2.89Å; L428-T432 PolarHBondContact O-OG1 2.82Å; L428-L502 HydrophobicContact CD1-CD2 3.65Å; L428-L502 HydrophobicContact CD1-CG 4.43Å; L428-L502 HydrophobicContact CD2-CD2 4Å; L428-L502 HydrophobicContact CG-CD2 4.39Å; L428-N505 HydrophobicContact CD1-CB 4.09Å; L428-N505 WeakPolarHBondContact CD1-ND2 3.41Å
429L94.3Very high94.1Very high42 Ų4240 Ų4022%0.2224%0.235CC..Hα-helixtrans-71-35.8-178.7-68.6174.3000112.4I356 R425 R436I356-L429 HydrophobicContact CB-CB 4.44Å; I356-L429 HydrophobicContact CD1-CB 4.42Å; I356-L429 HydrophobicContact CD1-CD1 3.58Å; I356-L429 HydrophobicContact CG1-CD1 4.14Å; R425-L429 HydrophobicContact CG-CD1 3.81Å; R425-L429 WeakPolarHBondContact O-CB 3.32Å; R425-L429 PolarHBondContact O-N 3.46Å; L429-R436 PolarHBondContact O-NH2 3.3Å
430T95.1Very high93.7Very high0 Ų047 Ų470%027%0.272CS..Hα-helixtrans-85.9-46.6-175.760.90000113.2I298 I356 M359 G360 L362 M426I298-T430 HydrophobicContact CD1-CG2 3.98Å; I356-T430 HydrophobicContact CB-CG2 4.06Å; I356-T430 HydrophobicContact CG2-CG2 3.66Å; M359-T430 HydrophobicContact CB-CG2 4.47Å; M359-T430 HydrophobicContact SD-CG2 3.7Å; G360-T430 VanDerWaalsContact CA-O 3.29Å; G360-T430 WeakPolarHBondContact CA-O 3.19Å; G360-T430 PolarHBondContact N-O 3.35Å; L362-T430 WeakPolarHBondContact CD1-O 3.46Å; L362-T430 WeakPolarHBondContact CG-O 3.42Å; M426-T430 HydrophobicContact CG-CG2 4.44Å; M426-T430 WeakPolarHBondContact O-CB 3.35Å; M426-T430 VanDerWaalsContact O-CG2 3.24Å; M426-T430 WeakPolarHBondContact O-CG2 3.33Å; M426-T430 PolarHBondContact O-N 2.96Å; M426-T430 PolarHBondContact O-OG1 3.43Å
431L95.5Very high93.1Very high2 Ų248 Ų481%0.0128%0.278CS..Hα-helixtrans-93.7-36.5-170.6-58.1-173.7000113.2G361 L362 L363 L373 T374 I427G361-L431 CarbonylContact C-O 3.46Å; G361-L431 WeakPolarHBondContact CA-O 3.05Å; G361-L431 PolarHBondContact N-O 3.48Å; L362-L431 HydrophobicContact CB-CD2 4.07Å; L362-L431 PolarHBondContact N-O 3.39Å; L363-L431 HydrophobicContact CB-CB 4.49Å; L363-L431 WeakPolarHBondContact CB-O 3.38Å; L363-L431 PolarHBondContact N-O 2.93Å; L373-L431 HydrophobicContact CB-CD1 4.43Å; L373-L431 HydrophobicContact CD2-CD1 3.83Å; L373-L431 HydrophobicContact CD2-CD2 3.96Å; L373-L431 HydrophobicContact CD2-CG 3.86Å; T374-L431 HydrophobicContact CG2-CD1 3.67Å; I427-L431 HydrophobicContact CG2-CD1 4.24Å; I427-L431 VanDerWaalsContact O-CB 3.29Å; I427-L431 WeakPolarHBondContact O-CB 3.21Å; I427-L431 PolarHBondContact O-N 2.8Å
432T92.9Very high92.6Very high55 Ų5554.2 Ų54.234%0.33731%0.31SS..SBendtrans-99.1177.7-174.178.50000112.6G361 L428G361-T432 PolarHBondContact N-O 2.92Å; L428-T432 WeakPolarHBondContact CA-OG1 3.5Å; L428-T432 HydrophobicContact CD2-CG2 4.35Å; L428-T432 PolarHBondContact O-N 2.89Å; L428-T432 PolarHBondContact O-OG1 2.82Å
433G89.7Confident92.5Very high56 Ų5656.3 Ų56.358%0.57732%0.321SS*.SBendtrans74.6-165-178.300000113.6G361G361-G433 WeakPolarHBondContact CA-O 3.35Å; G361-G433 PolarHBondContact N-O 3.28Å
434Q91Very high92.4Very high151 Ų15160.1 Ų60.171%0.70634%0.341SS*.SBendtrans-85.1149.6178.9-61.5-62.6-14.200111.3R436Q434-R436 PolarHBondContact O-N 2.87Å; Q434-R436 PolarHBondContact O-NH1 2.99Å
435P94Very high92.3Very high71 Ų7160.1 Ų60.146%0.46134%0.34SS..  trans-63.5126.7174.927.5-34.3000111G360 F437G360-P435 WeakPolarHBondContact O-CA 3.4Å; P435-F437 HydrophobicContact CB-CD1 3.9Å; P435-F437 HydrophobicContact CB-CE1 3.31Å; P435-F437 HydrophobicContact CB-CE2 4.26Å; P435-F437 HydrophobicContact CB-CZ 3.52Å
436R94Very high92.2Very high103 Ų10364.3 Ų64.339%0.38937%0.366SS..  trans-1147.4176.5-58.8176.5-66.8-81.42.5113.1R357 K358 M359 L429 Q434R357-R436 WeakPolarHBondContact O-CD 3.32Å; R357-R436 PolarHBondContact O-NE 3.48Å; K358-R436 CarbonylContact O-C 3.55Å; K358-R436 VanDerWaalsContact O-C 3.29Å; M359-R436 WeakPolarHBondContact O-CB 3.41Å; M359-R436 PolarHBondContact O-NE 3.08Å; M359-R436 VanDerWaalsContact O-NE 3.11Å; M359-R436 PolarHBondContact O-NH2 3.27Å; L429-R436 PolarHBondContact O-NH2 3.3Å; Q434-R436 PolarHBondContact O-N 2.87Å; Q434-R436 PolarHBondContact O-NH1 2.99Å
437F93.4Very high92.2Very high41 Ų4167.4 Ų67.418%0.1838%0.383CS..SBendtrans-80.1161176.752.1-101.6000110.8L350 K358 G360 L362 P435 T441 I443L350-F437 HydrophobicContact CD2-CB 3.79Å; L350-F437 HydrophobicContact CD2-CD1 4.01Å; L350-F437 HydrophobicContact CD2-CD2 4.26Å; L350-F437 HydrophobicContact CD2-CG 3.78Å; K358-F437 WeakPolarHBondContact O-CA 3.4Å; K358-F437 VanDerWaalsContact O-CB 3.28Å; K358-F437 WeakPolarHBondContact O-CB 3.31Å; K358-F437 PolarHBondContact O-N 3.09Å; K358-F437 VanDerWaalsContact O-N 3.07Å; G360-F437 WeakPolarHBondContact O-CE1 3.34Å; L362-F437 HydrophobicContact CD2-CE1 4.19Å; P435-F437 HydrophobicContact CB-CD1 3.9Å; P435-F437 HydrophobicContact CB-CE1 3.31Å; P435-F437 HydrophobicContact CB-CE2 4.26Å; P435-F437 HydrophobicContact CB-CZ 3.52Å; F437-T441 HydrophobicContact CD2-CG2 4.23Å; F437-T441 WeakPolarHBondContact CD2-OG1 3.33Å; F437-T441 VanDerWaalsContact CE2-OG1 3.23Å; F437-T441 WeakPolarHBondContact CE2-OG1 3.14Å; F437-I443 HydrophobicContact CE1-CD1 4.48Å; F437-I443 HydrophobicContact CE2-CD1 4.28Å; F437-I443 HydrophobicContact CZ-CD1 3.98Å
438P91.6Very high92.2Very high70 Ų7069.6 Ų69.646%0.45540%0.399SS..  trans-56.3142.3177.2-23.733.6000112.3L440 T441P438-L440 PolarHBondContact O-N 3.1Å; P438-L440 VanDerWaalsContact O-N 3.08Å; P438-T441 HydrophobicContact CB-CG2 4.45Å; P438-T441 WeakPolarHBondContact O-CG2 3.43Å; P438-T441 PolarHBondContact O-OG1 3.43Å
439A89.5Confident92.3Very high109 Ų10969.5 Ų69.590%0.90140%0.399SS*.SBendtrans-57.8-29.5-174.100000114.2T441A439-T441 PolarHBondContact O-N 3.36Å
440L86.8Confident92.4Very high150 Ų15067.5 Ų67.579%0.78539%0.389SS*.  trans-100.958.2-173.4-148.1143000111.4P438P438-L440 PolarHBondContact O-N 3.1Å; P438-L440 VanDerWaalsContact O-N 3.08Å
441T84.8Confident92.4Very high21 Ų2169 Ų6913%0.12940%0.397CS..  trans-108.3122177.844.10000111L350 F437 P438 A439 I443L350-T441 HydrophobicContact CD2-CG2 4.27Å; F437-T441 HydrophobicContact CD2-CG2 4.23Å; F437-T441 WeakPolarHBondContact CD2-OG1 3.33Å; F437-T441 VanDerWaalsContact CE2-OG1 3.23Å; F437-T441 WeakPolarHBondContact CE2-OG1 3.14Å; P438-T441 HydrophobicContact CB-CG2 4.45Å; P438-T441 WeakPolarHBondContact O-CG2 3.43Å; P438-T441 PolarHBondContact O-OG1 3.43Å; A439-T441 PolarHBondContact O-N 3.36Å; T441-I443 PolarHBondContact O-N 3.03Å
442N85.8Confident92.5Very high138 Ų13872.1 Ų72.174%0.73841%0.414SS*.  trans-88.183.5177.6-74.4-3.2000109.7N444N442-N444 PolarHBondContact O-N 3.08Å
443I93.1Very high92.7Very high46 Ų4669.5 Ų69.524%0.23640%0.397CS..  trans-75.3117.9177.2-59.6172.9000108.8N349 L350 L362 T365 M366 F437 T441N349-I443 HydrophobicContact CB-CG2 4.42Å; L350-I443 HydrophobicContact CD2-CD1 4.43Å; L362-I443 HydrophobicContact CD2-CD1 4.43Å; T365-I443 HydrophobicContact CG2-CD1 4.28Å; M366-I443 HydrophobicContact CG-CG2 3.35Å; M366-I443 HydrophobicContact SD-CG2 3.74Å; F437-I443 HydrophobicContact CE1-CD1 4.48Å; F437-I443 HydrophobicContact CE2-CD1 4.28Å; F437-I443 HydrophobicContact CZ-CD1 3.98Å; T441-I443 PolarHBondContact O-N 3.03Å
444N92.9Very high93Very high83 Ų8366.9 Ų66.944%0.44437%0.37SS..  trans-136.4119.4172.5-174.69.2000110.8N349 N442 N446N349-N444 PolarHBondContact ND2-O 3.11Å; N349-N444 PolarHBondContact OD1-O 2.9Å; N442-N444 PolarHBondContact O-N 3.08Å; N444-N446 WeakPolarHBondContact OD1-CB 3.47Å; N444-N446 PolarHBondContact OD1-N 3.43Å
445E93.7Very high93.3Very high12 Ų1264.9 Ų64.96%0.05636%0.359CS..  trans-103.2-8.4177.1-151.8-177.4-177.600112.6M366 P367 L368 T369 N447 L450 L451M366-E445 WeakPolarHBondContact CA-OE2 3.38Å; M366-E445 HydrophobicContact CE-CG 4.3Å; P367-E445 WeakPolarHBondContact CD-OE2 3.45Å; L368-E445 WeakPolarHBondContact CB-OE1 3.27Å; L368-E445 PolarHBondContact N-OE2 3.31Å; T369-E445 WeakPolarHBondContact CA-OE1 3.13Å; T369-E445 VanDerWaalsContact CB-OE1 3.28Å; T369-E445 WeakPolarHBondContact CB-OE1 3.47Å; T369-E445 HydrophobicContact CG2-CG 4.34Å; T369-E445 WeakPolarHBondContact CG2-OE1 3.49Å; T369-E445 PolarHBondContact N-OE1 2.93Å; T369-E445 PolarHBondContact OG1-OE1 2.7Å; E445-N447 PolarHBondContact O-N 3.08Å; E445-L450 HydrophobicContact CG-CD2 4.08Å; E445-L451 HydrophobicContact CG-CD2 3.87Å; E445-L451 VanDerWaalsContact O-CD2 3.24Å; E445-L451 WeakPolarHBondContact O-CD2 3.44Å; E445-L451 VanDerWaalsContact O-CG 3.32Å; E445-L451 WeakPolarHBondContact O-CG 3.4Å
446N94Very high93.4Very high133 Ų13363.3 Ų63.371%0.71134%0.344SS*.  trans-79.231.5-164-64.8-25.6000114.8N444N444-N446 WeakPolarHBondContact OD1-CB 3.47Å; N444-N446 PolarHBondContact OD1-N 3.43Å
447N95.3Very high93.6Very high68 Ų6858.4 Ų58.436%0.36433%0.326SS..  trans-100.5126.4176.2-102.8-26.4000111.6W106 E445 T449 L450 L451W106-N447 PolarHBondContact NE1-ND2 2.87Å; E445-N447 PolarHBondContact O-N 3.08Å; N447-T449 VanDerWaalsContact C-N 3.26Å; N447-T449 PolarHBondContact O-N 2.84Å; N447-L450 HydrophobicContact CB-CB 4.26Å; N447-L450 WeakPolarHBondContact O-CB 3.4Å; N447-L450 PolarHBondContact O-N 3.48Å; N447-L451 WeakPolarHBondContact O-CG 3.23Å; N447-L451 PolarHBondContact O-N 3.49Å
448P95.7Very high93.7Very high76 Ų7657.1 Ų57.149%0.49432%0.322SS..Hα-helixtrans-63.6-33.2-178.425.7-33.8000112.3L450 L451 N452P448-L450 PolarHBondContact O-N 2.91Å; P448-L451 PolarHBondContact O-N 2.94Å; P448-N452 WeakPolarHBondContact O-CB 3.37Å; P448-N452 PolarHBondContact O-N 3.38Å; P448-N452 PolarHBondContact O-ND2 3.39Å
449T94.9Very high94Very high32 Ų3255.9 Ų55.920%0.19632%0.318CS..Hα-helixtrans-65.6-19.5175470000113.4L105 N447 P453L105-T449 HydrophobicContact CB-CG2 4.5Å; N447-T449 VanDerWaalsContact C-N 3.26Å; N447-T449 PolarHBondContact O-N 2.84Å; T449-P453 VanDerWaalsContact O-CD 3.25Å; T449-P453 WeakPolarHBondContact O-CD 3.28Å; T449-P453 WeakPolarHBondContact O-CG 3.27Å
450L96Very high94.2Very high0 Ų051.1 Ų51.10%028%0.279CS..Hα-helixtrans-92.2-49.4171.3172.264.8000111.5F103 W106 E445 N447 P448 P453 I454F103-L450 HydrophobicContact CD2-CD1 3.74Å; F103-L450 HydrophobicContact CE2-CD1 3.56Å; W106-L450 HydrophobicContact CD2-CB 4.1Å; W106-L450 HydrophobicContact CD2-CD1 4.33Å; W106-L450 HydrophobicContact CD2-CD2 4.43Å; W106-L450 HydrophobicContact CE3-CB 4.49Å; W106-L450 HydrophobicContact CE3-CD1 3.9Å; W106-L450 HydrophobicContact CG-CB 4.15Å; W106-L450 HydrophobicContact CH2-CD1 4.36Å; W106-L450 HydrophobicContact CH2-CD2 4.05Å; W106-L450 HydrophobicContact CZ2-CD2 3.9Å; W106-L450 HydrophobicContact CZ3-CD1 3.93Å; W106-L450 HydrophobicContact CZ3-CD2 4.42Å; E445-L450 HydrophobicContact CG-CD2 4.08Å; N447-L450 HydrophobicContact CB-CB 4.26Å; N447-L450 WeakPolarHBondContact O-CB 3.4Å; N447-L450 PolarHBondContact O-N 3.48Å; P448-L450 PolarHBondContact O-N 2.91Å; L450-P453 VanDerWaalsContact O-CD 3.28Å; L450-P453 WeakPolarHBondContact O-CD 3.29Å; L450-P453 VanDerWaalsContact O-CG 3.29Å; L450-P453 WeakPolarHBondContact O-CG 3.37Å; L450-I454 HydrophobicContact CD1-CD1 3.74Å; L450-I454 HydrophobicContact CG-CD1 4.22Å; L450-I454 WeakPolarHBondContact O-CG1 3.31Å
451L95.9Very high94.6Very high32 Ų3244 Ų4417%0.16824%0.242CC..Hα-helixtrans-68.6-42.2-173-61.2171.5000112.4L368 E445 N447 P448 I454 K455L368-L451 HydrophobicContact CB-CD2 4.15Å; L368-L451 HydrophobicContact CD2-CB 3.94Å; L368-L451 HydrophobicContact CD2-CD2 3.29Å; L368-L451 HydrophobicContact CD2-CG 4.19Å; L368-L451 HydrophobicContact CG-CD2 4.32Å; E445-L451 HydrophobicContact CG-CD2 3.87Å; E445-L451 VanDerWaalsContact O-CD2 3.24Å; E445-L451 WeakPolarHBondContact O-CD2 3.44Å; E445-L451 VanDerWaalsContact O-CG 3.32Å; E445-L451 WeakPolarHBondContact O-CG 3.4Å; N447-L451 WeakPolarHBondContact O-CG 3.23Å; N447-L451 PolarHBondContact O-N 3.49Å; P448-L451 PolarHBondContact O-N 2.94Å; L451-I454 PolarHBondContact O-N 3.09Å; L451-K455 WeakPolarHBondContact O-CB 3.42Å; L451-K455 WeakPolarHBondContact O-CG 3.28Å; L451-K455 PolarHBondContact O-N 3.07Å
452N96.7Very high95.1Very high67 Ų6746 Ų4636%0.35825%0.252SS..Hα-helixtrans-61.5-49.6-177.4-68.7-16.1000113.8P448 I454 K455 R456P448-N452 WeakPolarHBondContact O-CB 3.37Å; P448-N452 PolarHBondContact O-N 3.38Å; P448-N452 PolarHBondContact O-ND2 3.39Å; N452-I454 VanDerWaalsContact C-N 3.32Å; N452-I454 PolarHBondContact O-N 2.89Å; N452-K455 PolarHBondContact O-N 3.43Å; N452-R456 WeakPolarHBondContact O-CB 3.46Å; N452-R456 WeakPolarHBondContact O-CG 3.21Å; N452-R456 PolarHBondContact O-N 3.4Å
453P97.1Very high95.6Very high0 Ų045.5 Ų45.50%024%0.243CC..Hα-helixtrans-64.3-37178.924.4-33.9000112.3S99 E102 F103 M341 T449 L450 R456 L457S99-P453 WeakPolarHBondContact O-CB 3.25Å; E102-P453 HydrophobicContact CB-CB 4.38Å; E102-P453 HydrophobicContact CB-CG 4.35Å; E102-P453 HydrophobicContact CG-CG 4.28Å; F103-P453 HydrophobicContact CB-CG 4.15Å; M341-P453 HydrophobicContact CE-CB 4.06Å; M341-P453 HydrophobicContact SD-CB 4.21Å; T449-P453 VanDerWaalsContact O-CD 3.25Å; T449-P453 WeakPolarHBondContact O-CD 3.28Å; T449-P453 WeakPolarHBondContact O-CG 3.27Å; L450-P453 VanDerWaalsContact O-CD 3.28Å; L450-P453 WeakPolarHBondContact O-CD 3.29Å; L450-P453 VanDerWaalsContact O-CG 3.29Å; L450-P453 WeakPolarHBondContact O-CG 3.37Å; P453-R456 PolarHBondContact O-N 3.09Å; P453-L457 PolarHBondContact O-N 3.07Å
454I96.9Very high95.6Very high1 Ų143.9 Ų43.91%0.00524%0.237CC..Hα-helixtrans-63.9-46.8175.4-65.7174.6000110.6M341 L368 T369 S372 L450 L451 N452 R456 L457 A458M341-I454 HydrophobicContact CB-CG1 4.35Å; M341-I454 HydrophobicContact CE-CG1 3.99Å; L368-I454 HydrophobicContact CD2-CG2 4.38Å; T369-I454 HydrophobicContact CG2-CD1 3.71Å; S372-I454 VanDerWaalsContact CB-CG2 3.45Å; S372-I454 WeakPolarHBondContact OG-CG2 3.17Å; L450-I454 HydrophobicContact CD1-CD1 3.74Å; L450-I454 HydrophobicContact CG-CD1 4.22Å; L450-I454 WeakPolarHBondContact O-CG1 3.31Å; L451-I454 PolarHBondContact O-N 3.09Å; N452-I454 VanDerWaalsContact C-N 3.32Å; N452-I454 PolarHBondContact O-N 2.89Å; I454-R456 VanDerWaalsContact C-N 3.34Å; I454-R456 PolarHBondContact O-N 3.19Å; I454-L457 PolarHBondContact O-N 3.42Å; I454-A458 VanDerWaalsContact O-CB 3.31Å; I454-A458 WeakPolarHBondContact O-CB 3.32Å; I454-A458 PolarHBondContact O-N 2.96Å
455K96.9Very high95.6Very high109 Ų10939.9 Ų39.947%0.47422%0.215SC..Hα-helixtrans-59.3-42.8175.6-74.2176-175.3178.30112.2L368 L451 N452 A458 A459L368-K455 HydrophobicContact CD1-CG 4.18Å; L368-K455 HydrophobicContact CD2-CG 4.02Å; L451-K455 WeakPolarHBondContact O-CB 3.42Å; L451-K455 WeakPolarHBondContact O-CG 3.28Å; L451-K455 PolarHBondContact O-N 3.07Å; N452-K455 PolarHBondContact O-N 3.43Å; K455-A458 PolarHBondContact O-N 3.11Å; K455-A459 PolarHBondContact O-N 2.82Å
456R97.2Very high95.6Very high39 Ų3943.9 Ų43.915%0.14723%0.233CC..Hα-helixtrans-61.8-47.1177.7-75-173.9-65.5130-10.5111.8F95 W98 E102 N452 P453 I454 A459 G460F95-R456 HydrophobicContact CZ-CB 4.02Å; W98-R456 VanDerWaalsContact CG-NH1 3.27Å; W98-R456 PolarHBondContact O-NH2 2.9Å; E102-R456 IonicContact OE2-CZ 3.19Å; E102-R456 IonicContact OE2-NE 3.45Å; E102-R456 IonicContact OE2-NH2 2.89Å; E102-R456 PolarHBondContact OE2-NH2 2.98Å; N452-R456 WeakPolarHBondContact O-CB 3.46Å; N452-R456 WeakPolarHBondContact O-CG 3.21Å; N452-R456 PolarHBondContact O-N 3.4Å; P453-R456 PolarHBondContact O-N 3.09Å; I454-R456 VanDerWaalsContact C-N 3.34Å; I454-R456 PolarHBondContact O-N 3.19Å; R456-A459 PolarHBondContact O-N 3.48Å; R456-G460 PolarHBondContact O-N 2.96Å
457L96.7Very high95.6Very high0 Ų042 Ų420%022%0.222CC..Hα-helixtrans-69.8-33.4176.5-69.2-168.1000112.9F95 V96 S99 F334 A337 M338 M341 P453 I454 G460 S461F95-L457 HydrophobicContact CD1-CD2 4.05Å; F95-L457 HydrophobicContact CE1-CD2 3.86Å; V96-L457 HydrophobicContact CG2-CD2 4.27Å; S99-L457 WeakPolarHBondContact OG-CD1 3.33Å; S99-L457 WeakPolarHBondContact OG-CD2 3.28Å; S99-L457 WeakPolarHBondContact OG-CG 3.27Å; F334-L457 HydrophobicContact CD1-CD2 4.36Å; A337-L457 HydrophobicContact CB-CD1 3.54Å; M338-L457 HydrophobicContact CB-CB 4.03Å; M338-L457 HydrophobicContact CB-CD1 4.18Å; M338-L457 HydrophobicContact CG-CB 4.39Å; M341-L457 HydrophobicContact CE-CB 4.33Å; M341-L457 HydrophobicContact CE-CD1 3.21Å; M341-L457 HydrophobicContact CE-CG 3.81Å; M341-L457 HydrophobicContact SD-CD1 4.08Å; P453-L457 PolarHBondContact O-N 3.07Å; I454-L457 PolarHBondContact O-N 3.42Å; L457-G460 CarbonylContact O-C 3.4Å; L457-G460 PolarHBondContact O-N 2.84Å; L457-S461 WeakPolarHBondContact O-CB 3.47Å; L457-S461 PolarHBondContact O-N 3.49Å
458A96.6Very high95.4Very high13 Ų1339.8 Ų39.811%0.10721%0.21CC..Hα-helixtrans-62.3-46.5174.500000111M338 I454 K455 G460 S461 L462M338-A458 VanDerWaalsContact SD-CA 3.51Å; M338-A458 HydrophobicContact SD-CB 3.79Å; I454-A458 VanDerWaalsContact O-CB 3.31Å; I454-A458 WeakPolarHBondContact O-CB 3.32Å; I454-A458 PolarHBondContact O-N 2.96Å; K455-A458 PolarHBondContact O-N 3.11Å; A458-G460 VanDerWaalsContact C-N 3.31Å; A458-G460 PolarHBondContact O-N 3.08Å; A458-S461 WeakPolarHBondContact CA-OG 3.46Å; A458-S461 PolarHBondContact O-N 2.85Å; A458-S461 VanDerWaalsContact O-N 3.14Å; A458-S461 PolarHBondContact O-OG 3.42Å; A458-L462 WeakPolarHBondContact O-CG 3.49Å; A458-L462 PolarHBondContact O-N 3.38Å; A458-L462 VanDerWaalsContact O-N 3.09Å
459A96.4Very high95.2Very high45 Ų4537.8 Ų37.837%0.37220%0.197SC..Hα-helixtrans-59.1-42.1172.700000111.9K455 R456 S461 L462 F463K455-A459 PolarHBondContact O-N 2.82Å; R456-A459 PolarHBondContact O-N 3.48Å; A459-S461 PolarHBondContact O-N 3.24Å; A459-L462 PolarHBondContact O-N 3.23Å; A459-F463 WeakPolarHBondContact O-CD2 3.3Å; A459-F463 PolarHBondContact O-N 3.42Å
460G95.1Very high94.9Very high8 Ų841.1 Ų41.18%0.08221%0.213CC..Hα-helixtrans-58.7-45.7172.200000112.8T387 R456 L457 A458 L462 F463 A464T387-G460 VanDerWaalsContact CG2-O 3.27Å; T387-G460 WeakPolarHBondContact CG2-O 3.29Å; R456-G460 PolarHBondContact O-N 2.96Å; L457-G460 CarbonylContact O-C 3.4Å; L457-G460 PolarHBondContact O-N 2.84Å; A458-G460 VanDerWaalsContact C-N 3.31Å; A458-G460 PolarHBondContact O-N 3.08Å; G460-L462 PolarHBondContact O-N 3Å; G460-F463 PolarHBondContact O-N 2.98Å; G460-A464 WeakPolarHBondContact O-CB 3.46Å; G460-A464 PolarHBondContact O-N 2.91Å
461S95.2Very high94.6Very high0 Ų045.2 Ų45.20%024%0.235CC..Hα-helixtrans-65.7-22.4-179.774.70000114M338 I375 T387 L457 A458 A459M338-S461 WeakPolarHBondContact CE-OG 3.25Å; I375-S461 WeakPolarHBondContact CG2-OG 3.3Å; T387-S461 VanDerWaalsContact CB-O 3.28Å; T387-S461 WeakPolarHBondContact CB-O 3.47Å; T387-S461 VanDerWaalsContact CG2-C 3.46Å; T387-S461 WeakPolarHBondContact CG2-O 3.47Å; T387-S461 PolarHBondContact N-O 3.12Å; T387-S461 PolarHBondContact OG1-O 3.18Å; L457-S461 WeakPolarHBondContact O-CB 3.47Å; L457-S461 PolarHBondContact O-N 3.49Å; A458-S461 WeakPolarHBondContact CA-OG 3.46Å; A458-S461 PolarHBondContact O-N 2.85Å; A458-S461 VanDerWaalsContact O-N 3.14Å; A458-S461 PolarHBondContact O-OG 3.42Å; A459-S461 PolarHBondContact O-N 3.24Å
462L95.7Very high94Very high63 Ų6345.1 Ų45.133%0.3323%0.234SC..Hα-helixtrans-86.2-52.4174.7-68.3166.4000111.5I375 L386 A458 A459 G460I375-L462 HydrophobicContact CG2-CD2 4.16Å; I375-L462 HydrophobicContact CG2-CG 4.34Å; L386-L462 HydrophobicContact CD2-CD2 3.47Å; L386-L462 VanDerWaalsContact CD2-CD2 3.47Å; A458-L462 WeakPolarHBondContact O-CG 3.49Å; A458-L462 PolarHBondContact O-N 3.38Å; A458-L462 VanDerWaalsContact O-N 3.09Å; A459-L462 PolarHBondContact O-N 3.23Å; G460-L462 PolarHBondContact O-N 3Å
463F95.4Very high93.1Very high128 Ų12843.8 Ų43.856%0.56123%0.23SC*.Hα-helixtrans-103.6-27.3-165.8-62.5-69000115.1A459 G460 G465 F466 L467A459-F463 WeakPolarHBondContact O-CD2 3.3Å; A459-F463 PolarHBondContact O-N 3.42Å; G460-F463 PolarHBondContact O-N 2.98Å; F463-G465 VanDerWaalsContact C-N 3.29Å; F463-G465 PolarHBondContact O-N 3.1Å; F463-F466 PolarHBondContact O-N 3.29Å; F463-L467 HydrophobicContact CB-CD1 4.38Å; F463-L467 WeakPolarHBondContact O-CG 3.44Å; F463-L467 PolarHBondContact O-N 2.8Å
464A93.6Very high91.9Very high12 Ų1249 Ų4910%0.09926%0.264CS..Hα-helixtrans-62.7-35.9-169.700000112.6F334 T387 G460 L467 I468F334-A464 HydrophobicContact CD2-CB 4Å; F334-A464 HydrophobicContact CE1-CB 4.24Å; F334-A464 HydrophobicContact CE2-CB 3.61Å; F334-A464 HydrophobicContact CG-CB 4.49Å; F334-A464 HydrophobicContact CZ-CB 3.74Å; T387-A464 HydrophobicContact CG2-CB 4.32Å; G460-A464 WeakPolarHBondContact O-CB 3.46Å; G460-A464 PolarHBondContact O-N 2.91Å; A464-L467 PolarHBondContact O-N 2.67Å; A464-I468 HydrophobicContact CB-CD1 4.33Å; A464-I468 VanDerWaalsContact O-CB 3.23Å; A464-I468 WeakPolarHBondContact O-CB 3.31Å; A464-I468 WeakPolarHBondContact O-CD1 3.44Å; A464-I468 WeakPolarHBondContact O-CG1 3.41Å; A464-I468 PolarHBondContact O-N 2.89Å
465G92.2Very high90.6Very high0 Ų051.9 Ų51.90%029%0.288CS..Hα-helixtrans-66.3-46.3-179.500000111.2F463 I468 T469F463-G465 VanDerWaalsContact C-N 3.29Å; F463-G465 PolarHBondContact O-N 3.1Å; G465-I468 PolarHBondContact O-N 2.97Å; G465-T469 WeakPolarHBondContact O-CB 3.21Å; G465-T469 WeakPolarHBondContact O-CG2 3.35Å; G465-T469 PolarHBondContact O-N 3.39Å; G465-T469 PolarHBondContact O-OG1 3.44Å
466F93.8Very high89.3Confident95 Ų9547.6 Ų47.642%0.41727%0.272SS..Hα-helixtrans-59.6-46.7173.8177.1-105000111.9Y390 F463 T469 N470Y390-F466 HydrophobicContact CE1-CB 4.42Å; Y390-F466 HydrophobicContact CE1-CD2 4.08Å; Y390-F466 HydrophobicContact CE2-CB 3.88Å; Y390-F466 AromaticContact CZ-CD2 3.83Å; Y390-F466 VanDerWaalsContact OH-CD2 3.27Å; Y390-F466 WeakPolarHBondContact OH-CD2 3.39Å; F463-F466 PolarHBondContact O-N 3.29Å; F466-T469 PolarHBondContact O-OG1 3.36Å; F466-T469 VanDerWaalsContact O-OG1 3.08Å; F466-N470 WeakPolarHBondContact CD2-ND2 3.46Å; F466-N470 WeakPolarHBondContact CE1-ND2 3.3Å; F466-N470 WeakPolarHBondContact CE2-ND2 3.3Å; F466-N470 WeakPolarHBondContact CZ-ND2 3.36Å; F466-N470 WeakPolarHBondContact O-CB 3.38Å; F466-N470 PolarHBondContact O-N 3.01Å; F466-N470 PolarHBondContact O-ND2 3.42Å
467L93.5Very high88Confident94 Ų9451.6 Ų51.649%0.49230%0.303SS..Hα-helixtrans-64.1-45178.9-70.5172.8000112.2F463 A464 N471F463-L467 HydrophobicContact CB-CD1 4.38Å; F463-L467 WeakPolarHBondContact O-CG 3.44Å; F463-L467 PolarHBondContact O-N 2.8Å; A464-L467 PolarHBondContact O-N 2.67Å; L467-N471 WeakPolarHBondContact O-CB 3.37Å; L467-N471 PolarHBondContact O-N 3.04Å; L467-N471 PolarHBondContact O-ND2 3.21Å
468I92.3Very high86.8Confident22 Ų2256.8 Ų56.811%0.11333%0.326CS..Hα-helixtrans-63.7-51.9-179.8-71.5165.2000109.1C330 F334 A464 G465 N470 N471 I472C330-I468 HydrophobicContact CB-CD1 4.21Å; F334-I468 HydrophobicContact CE2-CD1 4.39Å; A464-I468 HydrophobicContact CB-CD1 4.33Å; A464-I468 VanDerWaalsContact O-CB 3.23Å; A464-I468 WeakPolarHBondContact O-CB 3.31Å; A464-I468 WeakPolarHBondContact O-CD1 3.44Å; A464-I468 WeakPolarHBondContact O-CG1 3.41Å; A464-I468 PolarHBondContact O-N 2.89Å; G465-I468 PolarHBondContact O-N 2.97Å; I468-N470 PolarHBondContact O-N 2.78Å; I468-N471 PolarHBondContact O-N 2.84Å; I468-N471 VanDerWaalsContact O-N 3.14Å; I468-I472 HydrophobicContact CB-CD1 4.5Å; I468-I472 HydrophobicContact CG2-CD1 3.28Å; I468-I472 HydrophobicContact CG2-CG1 4.01Å; I468-I472 WeakPolarHBondContact O-CD1 3.26Å; I468-I472 WeakPolarHBondContact O-CG1 3.12Å; I468-I472 PolarHBondContact O-N 2.94Å
469T90.5Very high85.5Confident34 Ų3462 Ų6221%0.20935%0.348CS..Hα-helixtrans-61.7-37.7-175.354.50000114.2L327 Y390 G465 F466L327-T469 HydrophobicContact CD1-CG2 3.69Å; L327-T469 HydrophobicContact CD2-CG2 3.91Å; L327-T469 HydrophobicContact CG-CG2 4.23Å; Y390-T469 HydrophobicContact CD1-CG2 4.18Å; Y390-T469 HydrophobicContact CG-CG2 4.05Å; G465-T469 WeakPolarHBondContact O-CB 3.21Å; G465-T469 WeakPolarHBondContact O-CG2 3.35Å; G465-T469 PolarHBondContact O-N 3.39Å; G465-T469 PolarHBondContact O-OG1 3.44Å; F466-T469 PolarHBondContact O-OG1 3.36Å; F466-T469 VanDerWaalsContact O-OG1 3.08Å
470N89.8Confident84.5Confident101 Ų10166 Ų6654%0.5437%0.368SS..Hα-helixtrans-75.2-25178-68.9-20.4000113.9F466 I468F466-N470 WeakPolarHBondContact CD2-ND2 3.46Å; F466-N470 WeakPolarHBondContact CE1-ND2 3.3Å; F466-N470 WeakPolarHBondContact CE2-ND2 3.3Å; F466-N470 WeakPolarHBondContact CZ-ND2 3.36Å; F466-N470 WeakPolarHBondContact O-CB 3.38Å; F466-N470 PolarHBondContact O-N 3.01Å; F466-N470 PolarHBondContact O-ND2 3.42Å; I468-N470 PolarHBondContact O-N 2.78Å
471N88.4Confident84.1Confident87 Ų8771.2 Ų71.247%0.46540%0.398SS..Hα-helixtrans-94.5-17.8-176.7-67.4-31.1000112.9M55 L467 I468M55-N471 HydrophobicContact CE-CB 3.63Å; M55-N471 HydrophobicContact SD-CB 3.69Å; L467-N471 WeakPolarHBondContact O-CB 3.37Å; L467-N471 PolarHBondContact O-N 3.04Å; L467-N471 PolarHBondContact O-ND2 3.21Å; I468-N471 PolarHBondContact O-N 2.84Å; I468-N471 VanDerWaalsContact O-N 3.14Å
472I84.7Confident83.8Confident29 Ų2973.2 Ų73.215%0.14941%0.408CS..SBendtrans-70132.5177.8-69.1159.9000109.9Y84 M88 L327 I468Y84-I472 HydrophobicContact CE2-CB 4.3Å; Y84-I472 HydrophobicContact CE2-CG1 3.87Å; Y84-I472 HydrophobicContact CE2-CG2 3.65Å; Y84-I472 WeakPolarHBondContact OH-CD1 3.39Å; Y84-I472 WeakPolarHBondContact OH-CG1 3.48Å; M88-I472 HydrophobicContact CE-CG1 3.61Å; L327-I472 HydrophobicContact CD1-CD1 3.62Å; L327-I472 HydrophobicContact CG-CD1 4.21Å; I468-I472 HydrophobicContact CB-CD1 4.5Å; I468-I472 HydrophobicContact CG2-CD1 3.28Å; I468-I472 HydrophobicContact CG2-CG1 4.01Å; I468-I472 WeakPolarHBondContact O-CD1 3.26Å; I468-I472 WeakPolarHBondContact O-CG1 3.12Å; I468-I472 PolarHBondContact O-N 2.94Å
473S77.4Confident83.7Confident39 Ų3972.6 Ų72.627%0.27341%0.409SS..  trans-65131.6167.141.70000110.4D58 A475D58-S473 PolarHBondContact OD1-OG 3.27Å; S473-A475 PolarHBondContact O-N 3.5Å
474P71.2Confident83.6Confident110 Ų11073.1 Ų73.171%0.71442%0.416SS*.  trans-67.2100.7-176.226.2-33.2000110.4
475A70.9Confident83.7Confident62 Ų6280.3 Ų80.351%0.51244%0.442SS..  trans-81.3-31.5-177.200000113.4H323 S473H323-A475 HydrophobicContact CB-CB 4.45Å; S473-A475 PolarHBondContact O-N 3.5Å
476S69.3Low83.7Confident19 Ų1981.8 Ų81.813%0.13345%0.45CS..SBendtrans-123.1142.2174.359.30000110.8Q321 F478Q321-S476 PolarHBondContact OE1-OG 3.38Å; S476-F478 PolarHBondContact O-N 3.38Å; S476-F478 VanDerWaalsContact O-N 3.15Å
477P70.2Confident83.6Confident123 Ų12380.7 Ų80.780%0.79945%0.445SS*.  trans-65.7117.7177.926.8-33000109.4Q479P477-Q479 PolarHBondContact O-N 3.07Å
478F69.8Low83.7Confident108 Ų10880.3 Ų80.347%0.47444%0.443SS..  trans-70.1126.9170.9-65.3-63.2000109.6L324 S476 T480L324-F478 HydrophobicContact CD2-CE1 4.15Å; S476-F478 PolarHBondContact O-N 3.38Å; S476-F478 VanDerWaalsContact O-N 3.15Å; F478-T480 PolarHBondContact O-N 2.87Å
479Q70.3Confident83.8Confident124 Ų12480.5 Ų80.558%0.57945%0.445SS*.  trans-75.5109.5171.6-67.7-179.7-10.800108.9P477P477-Q479 PolarHBondContact O-N 3.07Å
480T74.7Confident83.9Confident127 Ų12779.2 Ų79.278%0.77944%0.438SS*.  trans-88.5-15-17652.50000113.6F478F478-T480 PolarHBondContact O-N 2.87Å
481T86.6Confident84.1Confident118 Ų11878 Ų7872%0.72443%0.431SS*.  trans-98.897.9-178.354.90000111.1
482I90.3Very high84.5Confident42 Ų4276.4 Ų76.422%0.21543%0.43CS..  trans-132.7140.7179.552.2-178.7000110.1E397 M401 K487E397-I482 HydrophobicContact CG-CD1 4.24Å; M401-I482 HydrophobicContact CE-CG2 3.98Å; M401-I482 HydrophobicContact CG-CG2 3.56Å; M401-I482 HydrophobicContact SD-CB 4.32Å; M401-I482 HydrophobicContact SD-CG2 3.61Å; I482-K487 HydrophobicContact CD1-CB 3.59Å; I482-K487 HydrophobicContact CD1-CD 3.5Å; I482-K487 HydrophobicContact CD1-CG 3.79Å; I482-K487 HydrophobicContact CG1-CB 4.01Å; I482-K487 HydrophobicContact CG1-CG 4.47Å
483P93.6Very high85Confident51 Ų5176.7 Ų76.733%0.33143%0.433SS..  trans-68147.2175.930.3-34.9000110.3Y485 L486 K487P483-Y485 HydrophobicContact CB-CD1 3.77Å; P483-Y485 HydrophobicContact CB-CE1 3.44Å; P483-Y485 VanDerWaalsContact CB-CE1 3.44Å; P483-Y485 HydrophobicContact CG-CD1 4.09Å; P483-Y485 HydrophobicContact CG-CE1 3.49Å; P483-Y485 VanDerWaalsContact CG-CE1 3.49Å; P483-Y485 PolarHBondContact O-N 3.25Å; P483-Y485 VanDerWaalsContact O-N 3.13Å; P483-L486 HydrophobicContact CG-CB 3.98Å; P483-L486 HydrophobicContact CG-CD1 3.6Å; P483-L486 HydrophobicContact CG-CG 3.75Å; P483-L486 PolarHBondContact O-N 3.47Å; P483-K487 PolarHBondContact O-N 3.28Å; P483-K487 VanDerWaalsContact O-N 3.09Å
484L93.2Very high85.9Confident138 Ų13875.9 Ų75.972%0.72343%0.426SS*.Hα-helixtrans-56-36.9-171.6-174.8124.5000113.2L486 K487 L488L484-L486 PolarHBondContact O-N 2.99Å; L484-K487 PolarHBondContact O-N 3.44Å; L484-L488 HydrophobicContact CD2-CD1 3.78Å; L484-L488 HydrophobicContact CG-CD1 3.96Å; L484-L488 PolarHBondContact O-N 2.84Å; L484-L488 VanDerWaalsContact O-N 3.07Å
485Y94.1Very high87Confident164 Ų16476.4 Ų76.464%0.64342%0.418SS*.Hα-helixtrans-64.3-39.1177.772-90.3000112P483 T489P483-Y485 HydrophobicContact CB-CD1 3.77Å; P483-Y485 HydrophobicContact CB-CE1 3.44Å; P483-Y485 VanDerWaalsContact CB-CE1 3.44Å; P483-Y485 HydrophobicContact CG-CD1 4.09Å; P483-Y485 HydrophobicContact CG-CE1 3.49Å; P483-Y485 VanDerWaalsContact CG-CE1 3.49Å; P483-Y485 PolarHBondContact O-N 3.25Å; P483-Y485 VanDerWaalsContact O-N 3.13Å; Y485-T489 VanDerWaalsContact O-CG2 3.29Å; Y485-T489 WeakPolarHBondContact O-CG2 3.27Å; Y485-T489 PolarHBondContact O-N 2.83Å
486L92.6Very high88.2Confident31 Ų3178.3 Ų78.316%0.16242%0.419CS..Hα-helixtrans-73-34.5176.9-69-178.4000112.5N400 M401 P483 L484 L488 T489N400-L486 HydrophobicContact CB-CD2 4.17Å; M401-L486 HydrophobicContact SD-CD1 3.61Å; P483-L486 HydrophobicContact CG-CB 3.98Å; P483-L486 HydrophobicContact CG-CD1 3.6Å; P483-L486 HydrophobicContact CG-CG 3.75Å; P483-L486 PolarHBondContact O-N 3.47Å; L484-L486 PolarHBondContact O-N 2.99Å; L486-L488 VanDerWaalsContact C-N 3.35Å; L486-T489 HydrophobicContact CD2-CG2 4.36Å; L486-T489 PolarHBondContact O-N 3.3Å; L486-T489 PolarHBondContact O-OG1 3.16Å
487K93.1Very high89.4Confident71 Ų7177.4 Ų77.431%0.30941%0.412SS..Hα-helixtrans-64.7-41.5175.6-177.440.1155.5179.60111.4D393 E397 I482 P483 L484 T489D393-K487 IonicContact OD2-NZ 3.79Å; E397-K487 HydrophobicContact CG-CD 4.24Å; E397-K487 WeakPolarHBondContact OE1-CD 3.23Å; E397-K487 WeakPolarHBondContact OE1-CE 3.37Å; E397-K487 IonicContact OE1-NZ 2.62Å; E397-K487 PolarHBondContact OE1-NZ 2.91Å; E397-K487 IonicContact OE2-NZ 2.66Å; E397-K487 PolarHBondContact OE2-NZ 2.62Å; I482-K487 HydrophobicContact CD1-CB 3.59Å; I482-K487 HydrophobicContact CD1-CD 3.5Å; I482-K487 HydrophobicContact CD1-CG 3.79Å; I482-K487 HydrophobicContact CG1-CB 4.01Å; I482-K487 HydrophobicContact CG1-CG 4.47Å; P483-K487 PolarHBondContact O-N 3.28Å; P483-K487 VanDerWaalsContact O-N 3.09Å; L484-K487 PolarHBondContact O-N 3.44Å; K487-T489 VanDerWaalsContact C-N 3.32Å; K487-T489 PolarHBondContact O-N 2.79Å
488L94.1Very high90.6Very high86 Ų8674 Ų7445%0.4539%0.387SS..THydrogen-bonded Turntrans-84.80.6-177.3-63.9175.2000113.9L484 L486 A490 L491 A492L484-L488 HydrophobicContact CD2-CD1 3.78Å; L484-L488 HydrophobicContact CG-CD1 3.96Å; L484-L488 PolarHBondContact O-N 2.84Å; L484-L488 VanDerWaalsContact O-N 3.07Å; L486-L488 VanDerWaalsContact C-N 3.35Å; L488-A490 PolarHBondContact O-N 3.15Å; L488-L491 PolarHBondContact O-N 3.09Å; L488-A492 VanDerWaalsContact O-CB 3.31Å; L488-A492 WeakPolarHBondContact O-CB 3.49Å; L488-A492 PolarHBondContact O-N 3.14Å
489T94.5Very high91.8Very high27 Ų2772.4 Ų72.417%0.16638%0.383CS..Hα-helixtrans-58.4-46.8-175.648.40000112.9N400 Y485 L486 K487 L491 A492 V493N400-T489 PolarHBondContact ND2-OG1 2.86Å; Y485-T489 VanDerWaalsContact O-CG2 3.29Å; Y485-T489 WeakPolarHBondContact O-CG2 3.27Å; Y485-T489 PolarHBondContact O-N 2.83Å; L486-T489 HydrophobicContact CD2-CG2 4.36Å; L486-T489 PolarHBondContact O-N 3.3Å; L486-T489 PolarHBondContact O-OG1 3.16Å; K487-T489 VanDerWaalsContact C-N 3.32Å; K487-T489 PolarHBondContact O-N 2.79Å; T489-L491 VanDerWaalsContact C-N 3.34Å; T489-L491 PolarHBondContact O-N 3.06Å; T489-A492 PolarHBondContact O-N 3.22Å; T489-V493 WeakPolarHBondContact O-CB 3.41Å; T489-V493 WeakPolarHBondContact O-CG2 3.33Å; T489-V493 PolarHBondContact O-N 3.12Å
490A93.4Very high93Very high6 Ų669.4 Ų69.45%0.0537%0.374CS..Hα-helixtrans-63.7-44-174.700000111D393 I396 L488 T494D393-A490 VanDerWaalsContact OD1-CB 3.28Å; D393-A490 WeakPolarHBondContact OD1-CB 3.4Å; I396-A490 HydrophobicContact CB-CB 4.1Å; I396-A490 HydrophobicContact CD1-CB 3.53Å; I396-A490 HydrophobicContact CG1-CB 4.42Å; I396-A490 HydrophobicContact CG2-CB 4.01Å; L488-A490 PolarHBondContact O-N 3.15Å; A490-T494 WeakPolarHBondContact O-CB 3.46Å; A490-T494 VanDerWaalsContact O-CG2 3.22Å; A490-T494 WeakPolarHBondContact O-CG2 3.5Å; A490-T494 PolarHBondContact O-N 3.15Å; A490-T494 PolarHBondContact O-OG1 2.83Å
491L94.7Very high93.9Very high75 Ų7563.7 Ų63.739%0.39334%0.339SS..Hα-helixtrans-67.9-41.8177.7-168.1128000112.1P384 L488 T489 V493 T494 F495P384-L491 HydrophobicContact CG-CD1 3.45Å; P384-L491 VanDerWaalsContact CG-CD1 3.45Å; L488-L491 PolarHBondContact O-N 3.09Å; T489-L491 VanDerWaalsContact C-N 3.34Å; T489-L491 PolarHBondContact O-N 3.06Å; L491-V493 PolarHBondContact O-N 3.29Å; L491-T494 WeakPolarHBondContact CA-OG1 3.33Å; L491-T494 PolarHBondContact O-N 3.43Å; L491-T494 PolarHBondContact O-OG1 3.31Å; L491-F495 WeakPolarHBondContact O-CB 3.4Å; L491-F495 PolarHBondContact O-N 3.44Å
492A95.6Very high94.2Very high55 Ų5560.2 Ų60.246%0.45532%0.316SS..Hα-helixtrans-62.2-44.6177.200000112L488 T489 F495 L496L488-A492 VanDerWaalsContact O-CB 3.31Å; L488-A492 WeakPolarHBondContact O-CB 3.49Å; L488-A492 PolarHBondContact O-N 3.14Å; T489-A492 PolarHBondContact O-N 3.22Å; A492-F495 PolarHBondContact O-N 2.97Å; A492-L496 WeakPolarHBondContact O-CB 3.28Å; A492-L496 PolarHBondContact O-N 3.25Å
493V95.9Very high94.4Very high34 Ų3463.2 Ų63.221%0.20633%0.332CS..Hα-helixtrans-69.3-39.3-178.71740000111.6L413 T416 T489 L491 L496 G497L413-V493 WeakPolarHBondContact O-CG1 3.4Å; T416-V493 VanDerWaalsContact OG1-CG1 3.29Å; T416-V493 WeakPolarHBondContact OG1-CG1 3.14Å; T489-V493 WeakPolarHBondContact O-CB 3.41Å; T489-V493 WeakPolarHBondContact O-CG2 3.33Å; T489-V493 PolarHBondContact O-N 3.12Å; L491-V493 PolarHBondContact O-N 3.29Å; V493-L496 PolarHBondContact O-N 3.48Å; V493-G497 PolarHBondContact O-N 3.48Å
494T94.9Very high94.3Very high22 Ų2266.2 Ų66.214%0.13535%0.345CS..Hα-helixtrans-66.5-41.3175.251.20000112A381 S420 A490 L491 G497 L498A381-T494 VanDerWaalsContact O-CG2 3.23Å; A381-T494 WeakPolarHBondContact O-CG2 3.36Å; S420-T494 VanDerWaalsContact CB-O 3.3Å; S420-T494 WeakPolarHBondContact CB-O 3.46Å; S420-T494 PolarHBondContact OG-O 2.94Å; A490-T494 WeakPolarHBondContact O-CB 3.46Å; A490-T494 VanDerWaalsContact O-CG2 3.22Å; A490-T494 WeakPolarHBondContact O-CG2 3.5Å; A490-T494 PolarHBondContact O-N 3.15Å; A490-T494 PolarHBondContact O-OG1 2.83Å; L491-T494 WeakPolarHBondContact CA-OG1 3.33Å; L491-T494 PolarHBondContact O-N 3.43Å; L491-T494 PolarHBondContact O-OG1 3.31Å; T494-G497 PolarHBondContact O-N 3.03Å; T494-L498 PolarHBondContact O-N 3.4Å
495F95.2Very high94.1Very high122 Ų12261 Ų6154%0.53532%0.318SS..Hα-helixtrans-63.5-42.6175.3-171.5-110.1000112.1L491 A492 G497 L498 L499L491-F495 WeakPolarHBondContact O-CB 3.4Å; L491-F495 PolarHBondContact O-N 3.44Å; A492-F495 PolarHBondContact O-N 2.97Å; F495-G497 PolarHBondContact O-N 3.31Å; F495-L498 PolarHBondContact O-N 2.96Å; F495-L498 VanDerWaalsContact O-N 3.16Å; F495-L499 HydrophobicContact CD1-CD1 3.75Å; F495-L499 HydrophobicContact CD1-CG 4.22Å; F495-L499 HydrophobicContact CE1-CD1 3.34Å; F495-L499 HydrophobicContact CE1-CD2 4.37Å; F495-L499 HydrophobicContact CE1-CG 3.93Å; F495-L499 HydrophobicContact CE2-CG 4.49Å; F495-L499 HydrophobicContact CZ-CD1 3.89Å; F495-L499 HydrophobicContact CZ-CD2 4.06Å; F495-L499 HydrophobicContact CZ-CG 4.06Å; F495-L499 WeakPolarHBondContact O-CG 3.26Å; F495-L499 PolarHBondContact O-N 3.43Å
496L95.6Very high93.9Very high101 Ų10160.2 Ų60.253%0.52932%0.315SS..Hα-helixtrans-59.6-44.1174.8-177140.4000112A492 V493 L498 L499 T500A492-L496 WeakPolarHBondContact O-CB 3.28Å; A492-L496 PolarHBondContact O-N 3.25Å; V493-L496 PolarHBondContact O-N 3.48Å; L496-L498 VanDerWaalsContact C-N 3.32Å; L496-L498 PolarHBondContact O-N 3Å; L496-L499 PolarHBondContact O-N 3.38Å; L496-T500 HydrophobicContact CD2-CG2 4.34Å; L496-T500 WeakPolarHBondContact O-CB 3.24Å; L496-T500 VanDerWaalsContact O-CG2 3.26Å; L496-T500 WeakPolarHBondContact O-CG2 3.49Å; L496-T500 PolarHBondContact O-N 2.87Å; L496-T500 PolarHBondContact O-OG1 3.31Å
497G95.6Very high93.7Very high0 Ų063.2 Ų63.20%033%0.33CS..Hα-helixtrans-64.5-33.7175.500000113.6S417 S420 V493 T494 F495 T500 A501S417-G497 WeakPolarHBondContact O-CA 3.26Å; S420-G497 VanDerWaalsContact OG-C 3.31Å; S420-G497 VanDerWaalsContact OG-CA 3.25Å; S420-G497 WeakPolarHBondContact OG-CA 2.99Å; V493-G497 PolarHBondContact O-N 3.48Å; T494-G497 PolarHBondContact O-N 3.03Å; F495-G497 PolarHBondContact O-N 3.31Å; G497-T500 WeakPolarHBondContact CA-OG1 3.42Å; G497-T500 PolarHBondContact O-OG1 3.06Å; G497-T500 VanDerWaalsContact O-OG1 3.04Å; G497-A501 WeakPolarHBondContact O-CB 3.46Å; G497-A501 PolarHBondContact O-N 3.37Å
498L94.9Very high93.4Very high51 Ų5164.3 Ų64.327%0.26734%0.343SS..Hα-helixtrans-68.4-47.7175.6177.6145.7000111.7S420 T424 T494 F495 L496 A501 L502S420-L498 PolarHBondContact OG-N 3.12Å; T424-L498 HydrophobicContact CG2-CB 4.2Å; T424-L498 HydrophobicContact CG2-CD1 3.89Å; T424-L498 HydrophobicContact CG2-CG 3.81Å; T494-L498 PolarHBondContact O-N 3.4Å; F495-L498 PolarHBondContact O-N 2.96Å; F495-L498 VanDerWaalsContact O-N 3.16Å; L496-L498 VanDerWaalsContact C-N 3.32Å; L496-L498 PolarHBondContact O-N 3Å; L498-A501 PolarHBondContact O-N 2.95Å; L498-L502 HydrophobicContact CD2-CD1 3.55Å; L498-L502 HydrophobicContact CG-CD1 4.24Å; L498-L502 WeakPolarHBondContact O-CG 3.47Å; L498-L502 PolarHBondContact O-N 3.41Å
499L95.4Very high93Very high75 Ų7566.4 Ų66.439%0.39336%0.355SS..Hα-helixtrans-62.2-48.2179-71.9180000111.7F495 L496 A501 L502 D503F495-L499 HydrophobicContact CD1-CD1 3.75Å; F495-L499 HydrophobicContact CD1-CG 4.22Å; F495-L499 HydrophobicContact CE1-CD1 3.34Å; F495-L499 HydrophobicContact CE1-CD2 4.37Å; F495-L499 HydrophobicContact CE1-CG 3.93Å; F495-L499 HydrophobicContact CE2-CG 4.49Å; F495-L499 HydrophobicContact CZ-CD1 3.89Å; F495-L499 HydrophobicContact CZ-CD2 4.06Å; F495-L499 HydrophobicContact CZ-CG 4.06Å; F495-L499 WeakPolarHBondContact O-CG 3.26Å; F495-L499 PolarHBondContact O-N 3.43Å; L496-L499 PolarHBondContact O-N 3.38Å; L499-A501 VanDerWaalsContact C-N 3.32Å; L499-A501 PolarHBondContact O-N 2.84Å; L499-L502 PolarHBondContact O-N 3.2Å; L499-D503 PolarHBondContact O-N 3.34Å
500T94.2Very high92.6Very high62 Ų6271 Ų7138%0.3837%0.372SS..Hα-helixtrans-60.1-41.6179.750.80000112L496 G497 D503 L504L496-T500 HydrophobicContact CD2-CG2 4.34Å; L496-T500 WeakPolarHBondContact O-CB 3.24Å; L496-T500 VanDerWaalsContact O-CG2 3.26Å; L496-T500 WeakPolarHBondContact O-CG2 3.49Å; L496-T500 PolarHBondContact O-N 2.87Å; L496-T500 PolarHBondContact O-OG1 3.31Å; G497-T500 WeakPolarHBondContact CA-OG1 3.42Å; G497-T500 PolarHBondContact O-OG1 3.06Å; G497-T500 VanDerWaalsContact O-OG1 3.04Å; T500-D503 PolarHBondContact O-N 2.91Å; T500-L504 WeakPolarHBondContact O-CB 3.35Å; T500-L504 WeakPolarHBondContact O-CG 3.49Å; T500-L504 PolarHBondContact O-N 2.91Å
501A94.3Very high91.9Very high7 Ų779.5 Ų79.56%0.05842%0.416CS..Hα-helixtrans-70-35.2177.300000113.5A421 T424 G497 L498 L499 N505A421-A501 HydrophobicContact CB-CB 3.93Å; A421-A501 WeakPolarHBondContact O-CB 3.42Å; T424-A501 WeakPolarHBondContact OG1-CB 3.26Å; G497-A501 WeakPolarHBondContact O-CB 3.46Å; G497-A501 PolarHBondContact O-N 3.37Å; L498-A501 PolarHBondContact O-N 2.95Å; L499-A501 VanDerWaalsContact C-N 3.32Å; L499-A501 PolarHBondContact O-N 2.84Å; A501-N505 WeakPolarHBondContact O-CB 3.31Å; A501-N505 VanDerWaalsContact O-CG 3.31Å; A501-N505 PolarHBondContact O-N 2.82Å; A501-N505 PolarHBondContact O-ND2 3.49Å
502L93.3Very high91.4Very high45 Ų4583.5 Ų83.524%0.23643%0.43CS..Hα-helixtrans-61.1-50.6172.1-77.9166.1000110.6L428 L498 L499 L504 N505 Y506L428-L502 HydrophobicContact CD1-CD2 3.65Å; L428-L502 HydrophobicContact CD1-CG 4.43Å; L428-L502 HydrophobicContact CD2-CD2 4Å; L428-L502 HydrophobicContact CG-CD2 4.39Å; L498-L502 HydrophobicContact CD2-CD1 3.55Å; L498-L502 HydrophobicContact CG-CD1 4.24Å; L498-L502 WeakPolarHBondContact O-CG 3.47Å; L498-L502 PolarHBondContact O-N 3.41Å; L499-L502 PolarHBondContact O-N 3.2Å; L502-L504 VanDerWaalsContact C-N 3.35Å; L502-L504 PolarHBondContact O-N 3.01Å; L502-N505 PolarHBondContact O-N 2.98Å; L502-Y506 HydrophobicContact CB-CE2 4.43Å; L502-Y506 HydrophobicContact CD2-CE2 4.48Å; L502-Y506 WeakPolarHBondContact O-CD2 3.42Å; L502-Y506 PolarHBondContact O-N 2.79Å
503D94.1Very high90.7Very high105 Ų10590.4 Ų90.456%0.56146%0.456SS*.Hα-helixtrans-59.3-45.1179.2-75.8-12.1000111.8L499 T500 N505 Y506 L507L499-D503 PolarHBondContact O-N 3.34Å; T500-D503 PolarHBondContact O-N 2.91Å; D503-N505 VanDerWaalsContact C-N 3.33Å; D503-N505 PolarHBondContact O-N 3.45Å; D503-Y506 PolarHBondContact O-N 3.49Å; D503-L507 WeakPolarHBondContact O-CG 3.26Å; D503-L507 PolarHBondContact O-N 3.42Å
504L91.6Very high90Very high113 Ų11397.5 Ų97.559%0.59248%0.484SS*.Hα-helixtrans-60.2-41.4176.9-72.9172.7000112.2T500 L502 L507 T508T500-L504 WeakPolarHBondContact O-CB 3.35Å; T500-L504 WeakPolarHBondContact O-CG 3.49Å; T500-L504 PolarHBondContact O-N 2.91Å; L502-L504 VanDerWaalsContact C-N 3.35Å; L502-L504 PolarHBondContact O-N 3.01Å; L504-L507 WeakPolarHBondContact O-CB 3.43Å; L504-L507 PolarHBondContact O-N 3.23Å; L504-T508 PolarHBondContact O-N 3.27Å
505N90.1Very high89.6Confident28 Ų28101.3 Ų101.315%0.1551%0.511CS..Hα-helixtrans-71.9-32176.7-70.9-42000112.4L428 A501 L502 D503 L507 T508L428-N505 HydrophobicContact CD1-CB 4.09Å; L428-N505 WeakPolarHBondContact CD1-ND2 3.41Å; A501-N505 WeakPolarHBondContact O-CB 3.31Å; A501-N505 VanDerWaalsContact O-CG 3.31Å; A501-N505 PolarHBondContact O-N 2.82Å; A501-N505 PolarHBondContact O-ND2 3.49Å; L502-N505 PolarHBondContact O-N 2.98Å; D503-N505 VanDerWaalsContact C-N 3.33Å; D503-N505 PolarHBondContact O-N 3.45Å; N505-L507 VanDerWaalsContact C-N 3.28Å; N505-L507 PolarHBondContact O-N 3.42Å; N505-T508 PolarHBondContact O-N 3.45Å; N505-T508 PolarHBondContact O-OG1 3.16Å
506Y88.6Confident89.2Confident149 Ų14998.4 Ų98.458%0.58451%0.505SS*.Hα-helixtrans-66.4-33.1170.7-78.5-63.6000112.1L502 D503 T508 N509L502-Y506 HydrophobicContact CB-CE2 4.43Å; L502-Y506 HydrophobicContact CD2-CE2 4.48Å; L502-Y506 WeakPolarHBondContact O-CD2 3.42Å; L502-Y506 PolarHBondContact O-N 2.79Å; D503-Y506 PolarHBondContact O-N 3.49Å; Y506-T508 VanDerWaalsContact C-N 3.3Å; Y506-T508 PolarHBondContact O-N 3.06Å; Y506-N509 PolarHBondContact O-N 2.91Å
507L89.3Confident89.1Confident93 Ų9399.3 Ų99.349%0.48751%0.51SS..Hα-helixtrans-66.6-29.1174.3-68.6175.1000112.8D503 L504 N505 N509 K510D503-L507 WeakPolarHBondContact O-CG 3.26Å; D503-L507 PolarHBondContact O-N 3.42Å; L504-L507 WeakPolarHBondContact O-CB 3.43Å; L504-L507 PolarHBondContact O-N 3.23Å; N505-L507 VanDerWaalsContact C-N 3.28Å; N505-L507 PolarHBondContact O-N 3.42Å; L507-N509 PolarHBondContact O-N 3.29Å; L507-K510 HydrophobicContact CD2-CD 3.87Å; L507-K510 WeakPolarHBondContact O-CB 3.34Å; L507-K510 PolarHBondContact O-N 2.95Å; L507-K510 VanDerWaalsContact O-N 3.12Å
508T87.2Confident88.9Confident95 Ų95104.6 Ų104.658%0.58355%0.545SS*.Hα-helixtrans-67.6-24.9177.661.10000113.2L504 N505 Y506 K510L504-T508 PolarHBondContact O-N 3.27Å; N505-T508 PolarHBondContact O-N 3.45Å; N505-T508 PolarHBondContact O-OG1 3.16Å; Y506-T508 VanDerWaalsContact C-N 3.3Å; Y506-T508 PolarHBondContact O-N 3.06Å; T508-K510 PolarHBondContact O-N 3.08Å
509N84.2Confident88.8Confident130 Ų130107 Ų10770%0.69556%0.562SS**THydrogen-bonded Turntrans-75.3-14.2175.7-67.2-14000112.6Y506 L507Y506-N509 PolarHBondContact O-N 2.91Å; L507-N509 PolarHBondContact O-N 3.29Å
510K86.3Confident88.7Confident122 Ų122107.2 Ų107.253%0.5356%0.56SS.*SBendtrans-77136.6174.4-59.5-177.6-177.6176.40108.7L507 T508 K512L507-K510 HydrophobicContact CD2-CD 3.87Å; L507-K510 WeakPolarHBondContact O-CB 3.34Å; L507-K510 PolarHBondContact O-N 2.95Å; L507-K510 VanDerWaalsContact O-N 3.12Å; T508-K510 PolarHBondContact O-N 3.08Å; K510-K512 PolarHBondContact O-N 3.19Å
511L79.8Confident88.7Confident185 Ų185109 Ų10997%0.96956%0.561SS**  trans-72.356.6178.1-63.1169000112.1
512K83.6Confident88.8Confident160 Ų160112.9 Ų112.970%0.69658%0.576SS**  trans-115.6105.9175.2-68.5-172.2179.1-173.40108.9K510 K514K510-K512 PolarHBondContact O-N 3.19Å; K512-K514 PolarHBondContact O-N 3.43Å
513M81.3Confident88.9Confident200 Ų200111.1 Ų111.199%0.98557%0.567SS**  trans-78121.4169-66.4-152.2-169.200109.5
514K81.4Confident89Confident182 Ų182108.6 Ų108.679%0.79155%0.554SS**  trans-117.5143.8171.4-67.5-175.2177.9-176.40108.8K512K512-K514 PolarHBondContact O-N 3.43Å
515S85.2Confident89.1Confident102 Ų102107.8 Ų107.871%0.71355%0.548SS*.PPolyproline II helixtrans-66.9141.9170.148.90000110.2L517S515-L517 PolarHBondContact O-N 3.3Å
516P87.1Confident89.3Confident61 Ų61108 Ų10840%0.39655%0.549SS..PPolyproline II helixtrans-65.2134.7175.127.4-34.5000110.4F520 Y521P516-F520 HydrophobicContact CB-CB 4.3Å; P516-F520 HydrophobicContact CB-CD1 3.6Å; P516-F520 HydrophobicContact CB-CE1 4.26Å; P516-F520 HydrophobicContact CB-CG 4.15Å; P516-Y521 HydrophobicContact CB-CE2 4.11Å; P516-Y521 HydrophobicContact CG-CE1 4.42Å; P516-Y521 HydrophobicContact CG-CE2 3.88Å; P516-Y521 WeakPolarHBondContact CG-OH 3.47Å
517L92.9Very high89.5Confident121 Ų121101.6 Ų101.663%0.63453%0.529SS*.PPolyproline II helixtrans-79.9162176-65.3166000111.1S515 T519 F520 Y521S515-L517 PolarHBondContact O-N 3.3Å; L517-T519 PolarHBondContact O-N 2.97Å; L517-T519 VanDerWaalsContact O-N 3.15Å; L517-F520 VanDerWaalsContact O-CB 3.31Å; L517-F520 WeakPolarHBondContact O-CB 3.41Å; L517-F520 PolarHBondContact O-N 2.87Å; L517-Y521 PolarHBondContact O-N 3.39Å
518C92.9Very high89.8Confident110 Ų110100.9 Ų100.974%0.74352%0.522SS*.Hα-helixtrans-55-33.3173.9-62.70000113F520 Y521 F522C518-F520 VanDerWaalsContact C-N 3.31Å; C518-F520 PolarHBondContact O-N 3.47Å; C518-Y521 PolarHBondContact O-N 3.48Å; C518-F522 PolarHBondContact O-N 3.18Å
519T92.9Very high90.2Very high102 Ų10299.8 Ų99.863%0.62651%0.508SS*.Hα-helixtrans-64.6-33.8175.852.60000112.9L517 S523L517-T519 PolarHBondContact O-N 2.97Å; L517-T519 VanDerWaalsContact O-N 3.15Å; T519-S523 PolarHBondContact O-N 3.47Å; T519-S523 VanDerWaalsContact O-N 3.12Å; T519-S523 PolarHBondContact O-OG 3.24Å; T519-S523 VanDerWaalsContact O-OG 3.07Å
520F93.6Very high90.7Very high80 Ų8094.9 Ų94.935%0.35148%0.483SS..Hα-helixtrans-66.9-44.4172.8177.4-95.3000110.8T294 P516 L517 C518 F522 S523 N524T294-F520 HydrophobicContact CG2-CD2 3.68Å; T294-F520 HydrophobicContact CG2-CE2 3.82Å; P516-F520 HydrophobicContact CB-CB 4.3Å; P516-F520 HydrophobicContact CB-CD1 3.6Å; P516-F520 HydrophobicContact CB-CE1 4.26Å; P516-F520 HydrophobicContact CB-CG 4.15Å; L517-F520 VanDerWaalsContact O-CB 3.31Å; L517-F520 WeakPolarHBondContact O-CB 3.41Å; L517-F520 PolarHBondContact O-N 2.87Å; C518-F520 VanDerWaalsContact C-N 3.31Å; C518-F520 PolarHBondContact O-N 3.47Å; F520-F522 PolarHBondContact O-N 2.95Å; F520-S523 PolarHBondContact O-N 3.3Å; F520-S523 PolarHBondContact O-OG 2.93Å; F520-N524 HydrophobicContact CE1-CB 4.44Å; F520-N524 VanDerWaalsContact O-CB 3.27Å; F520-N524 WeakPolarHBondContact O-CB 3.31Å; F520-N524 PolarHBondContact O-N 2.84Å
521Y94Very high91.1Very high100 Ų10091.6 Ų91.639%0.39248%0.476SS..Hα-helixtrans-63.8-41.2176.1-69.4-62000112.6P516 L517 C518 S523 N524 M525P516-Y521 HydrophobicContact CB-CE2 4.11Å; P516-Y521 HydrophobicContact CG-CE1 4.42Å; P516-Y521 HydrophobicContact CG-CE2 3.88Å; P516-Y521 WeakPolarHBondContact CG-OH 3.47Å; L517-Y521 PolarHBondContact O-N 3.39Å; C518-Y521 PolarHBondContact O-N 3.48Å; Y521-S523 PolarHBondContact O-N 2.92Å; Y521-N524 PolarHBondContact O-N 2.74Å; Y521-M525 HydrophobicContact CD1-CE 4.3Å; Y521-M525 WeakPolarHBondContact O-CB 3.1Å; Y521-M525 PolarHBondContact O-N 3.09Å
522F95.9Very high91.8Very high88 Ų8887.5 Ų87.539%0.38645%0.454SS..Hα-helixtrans-58.4-49176.2-180-92.6000111.9F287 C518 F520 L526 G527 F528F287-F522 HydrophobicContact CE2-CZ 4.34Å; C518-F522 PolarHBondContact O-N 3.18Å; F520-F522 PolarHBondContact O-N 2.95Å; F522-L526 PolarHBondContact O-N 3.48Å; F522-G527 VanDerWaalsContact CE2-CA 3.43Å; F522-G527 WeakPolarHBondContact O-CA 3.27Å; F522-G527 PolarHBondContact O-N 3.13Å; F522-F528 HydrophobicContact CB-CE2 4.34Å; F522-F528 HydrophobicContact CD2-CD2 4.19Å; F522-F528 HydrophobicContact CD2-CE2 4.19Å
523S95.8Very high92.4Very high7 Ų780.9 Ų80.95%0.04943%0.426CS..Hα-helixtrans-67.9-41.9179.454.80000112.7V290 T294 T519 F520 Y521 L526V290-S523 WeakPolarHBondContact O-CB 3.47Å; T294-S523 WeakPolarHBondContact CG2-OG 3.02Å; T294-S523 VanDerWaalsContact OG1-C 3.26Å; T294-S523 WeakPolarHBondContact OG1-CB 3.5Å; T294-S523 PolarHBondContact OG1-OG 3.14Å; T519-S523 PolarHBondContact O-N 3.47Å; T519-S523 VanDerWaalsContact O-N 3.12Å; T519-S523 PolarHBondContact O-OG 3.24Å; T519-S523 VanDerWaalsContact O-OG 3.07Å; F520-S523 PolarHBondContact O-N 3.3Å; F520-S523 PolarHBondContact O-OG 2.93Å; Y521-S523 PolarHBondContact O-N 2.92Å; S523-L526 PolarHBondContact O-N 3.22Å
524N94.6Very high93Very high52 Ų5274.4 Ų74.428%0.27839%0.394SS..Hα-helixtrans-71.1-38-177.4-169.321.8000112.2T294 Q295 F520 Y521 L526T294-N524 WeakPolarHBondContact OG1-CA 3.25Å; T294-N524 PolarHBondContact OG1-N 3.4Å; T294-N524 VanDerWaalsContact OG1-N 3.17Å; Q295-N524 PolarHBondContact NE2-O 3.48Å; F520-N524 HydrophobicContact CE1-CB 4.44Å; F520-N524 VanDerWaalsContact O-CB 3.27Å; F520-N524 WeakPolarHBondContact O-CB 3.31Å; F520-N524 PolarHBondContact O-N 2.84Å; Y521-N524 PolarHBondContact O-N 2.74Å; N524-L526 VanDerWaalsContact C-N 3.28Å; N524-L526 PolarHBondContact O-N 3.41Å
525M94.4Very high93.7Very high96 Ų9675 Ų7547%0.47339%0.391SS..THydrogen-bonded Turntrans-89.922178.3-60.5-167.3-178.800113.7Y521 G527 F528Y521-M525 HydrophobicContact CD1-CE 4.3Å; Y521-M525 WeakPolarHBondContact O-CB 3.1Å; Y521-M525 PolarHBondContact O-N 3.09Å; M525-G527 VanDerWaalsContact C-N 3.35Å; M525-G527 PolarHBondContact O-N 2.86Å; M525-F528 HydrophobicContact CB-CD1 3.86Å; M525-F528 HydrophobicContact CB-CE1 3.9Å; M525-F528 HydrophobicContact CG-CE1 4.2Å; M525-F528 WeakPolarHBondContact O-CA 3.48Å; M525-F528 PolarHBondContact O-N 3.48Å; M525-F528 HydrophobicContact SD-CD1 3.96Å; M525-F528 HydrophobicContact SD-CE1 3.52Å; M525-F528 VanDerWaalsContact SD-CE1 3.52Å
526L94.2Very high94.2Very high32 Ų3273.2 Ų73.217%0.16838%0.376CS..G310 helixtrans54.847174.3-52-177.1000113.2C291 Q295 F304 F522 S523 N524 F528 Y529 P530C291-L526 HydrophobicContact CB-CD2 3.82Å; Q295-L526 VanDerWaalsContact NE2-CD2 3.33Å; F304-L526 HydrophobicContact CE1-CD2 4.01Å; F304-L526 HydrophobicContact CE2-CD2 3.54Å; F304-L526 HydrophobicContact CZ-CD1 3.83Å; F304-L526 HydrophobicContact CZ-CD2 3.14Å; F304-L526 HydrophobicContact CZ-CG 4.08Å; F522-L526 PolarHBondContact O-N 3.48Å; S523-L526 PolarHBondContact O-N 3.22Å; N524-L526 VanDerWaalsContact C-N 3.28Å; N524-L526 PolarHBondContact O-N 3.41Å; L526-F528 PolarHBondContact O-N 2.85Å; L526-Y529 PolarHBondContact O-N 2.91Å; L526-Y529 VanDerWaalsContact O-N 3.12Å; L526-P530 HydrophobicContact CB-CG 4.07Å; L526-P530 HydrophobicContact CD1-CG 4.12Å; L526-P530 WeakPolarHBondContact O-CD 3.24Å
527G93.3Very high94.6Very high16 Ų1675.6 Ų75.617%0.16538%0.384CS..G310 helixtrans6320.8-177.800000114.5F522 M525 Y529F522-G527 VanDerWaalsContact CE2-CA 3.43Å; F522-G527 WeakPolarHBondContact O-CA 3.27Å; F522-G527 PolarHBondContact O-N 3.13Å; M525-G527 VanDerWaalsContact C-N 3.35Å; M525-G527 PolarHBondContact O-N 2.86Å; G527-Y529 PolarHBondContact O-N 3.46Å
528F95.6Very high94.7Very high77 Ų7772.8 Ų72.834%0.33837%0.373SS..G310 helixtrans57.210.2-170.5-50.7-74.9000114.2F522 M525 L526 S531 I532F522-F528 HydrophobicContact CB-CE2 4.34Å; F522-F528 HydrophobicContact CD2-CD2 4.19Å; F522-F528 HydrophobicContact CD2-CE2 4.19Å; M525-F528 HydrophobicContact CB-CD1 3.86Å; M525-F528 HydrophobicContact CB-CE1 3.9Å; M525-F528 HydrophobicContact CG-CE1 4.2Å; M525-F528 WeakPolarHBondContact O-CA 3.48Å; M525-F528 PolarHBondContact O-N 3.48Å; M525-F528 HydrophobicContact SD-CD1 3.96Å; M525-F528 HydrophobicContact SD-CE1 3.52Å; M525-F528 VanDerWaalsContact SD-CE1 3.52Å; L526-F528 PolarHBondContact O-N 2.85Å; F528-S531 VanDerWaalsContact C-OG 3.24Å; F528-S531 VanDerWaalsContact CA-OG 3.25Å; F528-S531 WeakPolarHBondContact CA-OG 3.41Å; F528-S531 PolarHBondContact O-N 3.35Å; F528-S531 PolarHBondContact O-OG 2.86Å; F528-I532 HydrophobicContact CB-CD1 3.99Å; F528-I532 HydrophobicContact CB-CG1 4.47Å; F528-I532 VanDerWaalsContact O-CG1 3.3Å; F528-I532 WeakPolarHBondContact O-CG1 3.41Å; F528-I532 PolarHBondContact O-N 3.45Å
529Y95.3Very high94.9Very high72 Ų7274.8 Ų74.828%0.28237%0.366SS..Hα-helixtrans-66-51.8-173.1-176.3-82.1000111.5G228 H230 P231 L526 G527 S531 I532 T533G228-Y529 PolarHBondContact O-OH 2.97Å; H230-Y529 AromaticContact CE1-CD1 3.64Å; H230-Y529 AromaticContact CE1-CG 3.78Å; H230-Y529 AromaticContact NE2-CD1 3.94Å; P231-Y529 HydrophobicContact CG-CD1 3.42Å; P231-Y529 VanDerWaalsContact CG-CD1 3.42Å; P231-Y529 HydrophobicContact CG-CE1 3.51Å; L526-Y529 PolarHBondContact O-N 2.91Å; L526-Y529 VanDerWaalsContact O-N 3.12Å; G527-Y529 PolarHBondContact O-N 3.46Å; Y529-S531 PolarHBondContact O-N 3.39Å; Y529-I532 PolarHBondContact O-N 3.4Å; Y529-T533 HydrophobicContact CD1-CG2 4.2Å; Y529-T533 HydrophobicContact CD2-CG2 4.09Å; Y529-T533 HydrophobicContact CE1-CG2 3.87Å; Y529-T533 WeakPolarHBondContact CE1-OG1 3.44Å; Y529-T533 HydrophobicContact CE2-CG2 3.76Å; Y529-T533 HydrophobicContact CG-CG2 4.29Å; Y529-T533 WeakPolarHBondContact O-CB 3.36Å; Y529-T533 WeakPolarHBondContact O-CG2 3.29Å; Y529-T533 PolarHBondContact O-N 3.22Å; Y529-T533 PolarHBondContact O-OG1 3.24Å
530P94.6Very high95.1Very high27 Ų2775 Ų7518%0.17536%0.363CS..Hα-helixtrans-62.6-40.9176.4-22.235.5000112.3P231 L526 I532 H534P231-P530 HydrophobicContact CB-CG 4.25Å; P231-P530 HydrophobicContact CG-CG 4.43Å; L526-P530 HydrophobicContact CB-CG 4.07Å; L526-P530 HydrophobicContact CD1-CG 4.12Å; L526-P530 WeakPolarHBondContact O-CD 3.24Å; P530-I532 VanDerWaalsContact C-N 3.28Å; P530-I532 PolarHBondContact O-N 3.47Å; P530-H534 WeakPolarHBondContact O-CB 3Å; P530-H534 PolarHBondContact O-N 3.27Å
531S94.2Very high95.2Very high54 Ų5472.9 Ų72.938%0.37836%0.364SS..Hα-helixtrans-63.3-33-178.347.80000113.6F528 Y529 R535F528-S531 VanDerWaalsContact C-OG 3.24Å; F528-S531 VanDerWaalsContact CA-OG 3.25Å; F528-S531 WeakPolarHBondContact CA-OG 3.41Å; F528-S531 PolarHBondContact O-N 3.35Å; F528-S531 PolarHBondContact O-OG 2.86Å; Y529-S531 PolarHBondContact O-N 3.39Å; S531-R535 WeakPolarHBondContact O-CD 3.35Å; S531-R535 WeakPolarHBondContact O-CG 3.48Å
532I96Very high95.3Very high99 Ų9973.8 Ų73.851%0.50838%0.375SS..Hα-helixtrans-84.2-61176.8-63.3165.6000108.9F528 Y529 P530 H534 R535 T536F528-I532 HydrophobicContact CB-CD1 3.99Å; F528-I532 HydrophobicContact CB-CG1 4.47Å; F528-I532 VanDerWaalsContact O-CG1 3.3Å; F528-I532 WeakPolarHBondContact O-CG1 3.41Å; F528-I532 PolarHBondContact O-N 3.45Å; Y529-I532 PolarHBondContact O-N 3.4Å; P530-I532 VanDerWaalsContact C-N 3.28Å; P530-I532 PolarHBondContact O-N 3.47Å; I532-H534 PolarHBondContact O-N 3.26Å; I532-R535 PolarHBondContact O-N 3.15Å; I532-T536 HydrophobicContact CG2-CG2 4.37Å; I532-T536 WeakPolarHBondContact O-CG2 2.76Å; I532-T536 PolarHBondContact O-N 3.31Å; I532-T536 PolarHBondContact O-OG1 3.09Å
533T95.1Very high95.4Very high20 Ų2072.2 Ų72.212%0.12337%0.37CS..Hα-helixtrans-66.3-42.5-168.759.20000113.7Y529 R535 I537 P538Y529-T533 HydrophobicContact CD1-CG2 4.2Å; Y529-T533 HydrophobicContact CD2-CG2 4.09Å; Y529-T533 HydrophobicContact CE1-CG2 3.87Å; Y529-T533 WeakPolarHBondContact CE1-OG1 3.44Å; Y529-T533 HydrophobicContact CE2-CG2 3.76Å; Y529-T533 HydrophobicContact CG-CG2 4.29Å; Y529-T533 WeakPolarHBondContact O-CB 3.36Å; Y529-T533 WeakPolarHBondContact O-CG2 3.29Å; Y529-T533 PolarHBondContact O-N 3.22Å; Y529-T533 PolarHBondContact O-OG1 3.24Å; T533-R535 PolarHBondContact O-N 3.43Å; T533-I537 HydrophobicContact CG2-CD1 4.41Å; T533-I537 WeakPolarHBondContact O-CB 3.34Å; T533-I537 WeakPolarHBondContact O-CG1 3.23Å; T533-I537 PolarHBondContact O-N 3.32Å; T533-I537 VanDerWaalsContact O-N 3.13Å; T533-P538 WeakPolarHBondContact O-CD 3.32Å
534H95.1Very high95.4Very high65 Ų6575.3 Ų75.330%0.30139%0.389SS..Hα-helixtrans-74.7-12.2-178.9-57.9168000113.1Q170 Y174 P530 I532 P538Q170-H534 PolarHBondContact NE2-CE1 3.05Å; Y174-H534 AromaticContact CE2-NE2 3.9Å; Y174-H534 AromaticContact CZ-NE2 3.8Å; Y174-H534 PolarHBondContact OH-NE2 3.41Å; P530-H534 WeakPolarHBondContact O-CB 3Å; P530-H534 PolarHBondContact O-N 3.27Å; I532-H534 PolarHBondContact O-N 3.26Å; H534-P538 VanDerWaalsContact O-CD 3.26Å; H534-P538 WeakPolarHBondContact O-CD 3.39Å; H534-P538 VanDerWaalsContact O-CG 3.23Å; H534-P538 WeakPolarHBondContact O-CG 3.48Å
535R94.7Very high95.5Very high193 Ų19375.7 Ų75.773%0.72840%0.396SS*.Hα-helixtrans-95.4-50.7172.9-67.2-172.5178-175.2-1.2111.4S531 I532 T533 Y539S531-R535 WeakPolarHBondContact O-CD 3.35Å; S531-R535 WeakPolarHBondContact O-CG 3.48Å; I532-R535 PolarHBondContact O-N 3.15Å; T533-R535 PolarHBondContact O-N 3.43Å; R535-Y539 WeakPolarHBondContact O-CB 3.35Å; R535-Y539 PolarHBondContact O-N 3.29Å
536T96.6Very high95.6Very high66 Ų6676 Ų7641%0.40540%0.396SS..Hα-helixtrans-71.8-44.6-172.658.10000112.4I532 Y539 L540I532-T536 HydrophobicContact CG2-CG2 4.37Å; I532-T536 WeakPolarHBondContact O-CG2 2.76Å; I532-T536 PolarHBondContact O-N 3.31Å; I532-T536 PolarHBondContact O-OG1 3.09Å; T536-Y539 PolarHBondContact O-N 2.86Å; T536-L540 WeakPolarHBondContact O-CB 3.2Å; T536-L540 VanDerWaalsContact O-CG 3.32Å; T536-L540 WeakPolarHBondContact O-CG 3.4Å; T536-L540 PolarHBondContact O-N 2.91Å
537I95.2Very high95.7Very high110 Ų11078.2 Ų78.256%0.56441%0.408SS*.Hα-helixtrans-67.2-49.5-175.3-59.1169.9000111T533 Y539 L540 G541T533-I537 HydrophobicContact CG2-CD1 4.41Å; T533-I537 WeakPolarHBondContact O-CB 3.34Å; T533-I537 WeakPolarHBondContact O-CG1 3.23Å; T533-I537 PolarHBondContact O-N 3.32Å; T533-I537 VanDerWaalsContact O-N 3.13Å; I537-Y539 PolarHBondContact O-N 3.27Å; I537-L540 PolarHBondContact O-N 2.93Å; I537-G541 PolarHBondContact O-N 2.99Å
538P95.8Very high95.8Very high63 Ų6382.1 Ų82.141%0.40942%0.424SS..Hα-helixtrans-66.1-37177.2-24.638.6000113T533 H534 G541 L542T533-P538 WeakPolarHBondContact O-CD 3.32Å; H534-P538 VanDerWaalsContact O-CD 3.26Å; H534-P538 WeakPolarHBondContact O-CD 3.39Å; H534-P538 VanDerWaalsContact O-CG 3.23Å; H534-P538 WeakPolarHBondContact O-CG 3.48Å; P538-G541 PolarHBondContact O-N 2.94Å; P538-L542 VanDerWaalsContact O-CB 3.31Å; P538-L542 WeakPolarHBondContact O-CB 3.28Å; P538-L542 VanDerWaalsContact O-CG 3.27Å; P538-L542 WeakPolarHBondContact O-CG 3.41Å; P538-L542 PolarHBondContact O-N 3.46Å
539Y96.6Very high95.8Very high151 Ų15181 Ų8159%0.59243%0.425SS*.Hα-helixtrans-60.7-49.7176.7175.1-104.8000111.7R535 T536 I537 L543R535-Y539 WeakPolarHBondContact O-CB 3.35Å; R535-Y539 PolarHBondContact O-N 3.29Å; T536-Y539 PolarHBondContact O-N 2.86Å; I537-Y539 PolarHBondContact O-N 3.27Å; Y539-L543 HydrophobicContact CD1-CD1 3.91Å; Y539-L543 HydrophobicContact CD2-CD1 3.99Å; Y539-L543 HydrophobicContact CD2-CG 4.34Å; Y539-L543 HydrophobicContact CE1-CD1 3.38Å; Y539-L543 HydrophobicContact CE2-CD1 3.48Å; Y539-L543 VanDerWaalsContact CE2-CD1 3.48Å; Y539-L543 HydrophobicContact CE2-CG 4.1Å; Y539-L543 HydrophobicContact CG-CD1 4.2Å; Y539-L543 VanDerWaalsContact O-CB 3.3Å; Y539-L543 WeakPolarHBondContact O-CB 3.3Å; Y539-L543 WeakPolarHBondContact O-CG 3.32Å; Y539-L543 PolarHBondContact O-N 3.49Å; Y539-L543 WeakPolarHBondContact OH-CD1 3.33Å
540L96.4Very high95.9Very high106 Ų10681.6 Ų81.656%0.55543%0.433SS*.Hα-helixtrans-65-42.5177.2-69.1172.9000111.6T536 I537 T544T536-L540 WeakPolarHBondContact O-CB 3.2Å; T536-L540 VanDerWaalsContact O-CG 3.32Å; T536-L540 WeakPolarHBondContact O-CG 3.4Å; T536-L540 PolarHBondContact O-N 2.91Å; I537-L540 PolarHBondContact O-N 2.93Å; L540-T544 WeakPolarHBondContact O-CB 3.33Å; L540-T544 WeakPolarHBondContact O-CG2 3.44Å; L540-T544 PolarHBondContact O-N 2.74Å; L540-T544 PolarHBondContact O-OG1 3.48Å
541G96Very high96Very high36 Ų3683.9 Ų83.937%0.37144%0.443SS..Hα-helixtrans-61.6-47.3177.900000112.9I537 P538 T544 S545I537-G541 PolarHBondContact O-N 2.99Å; P538-G541 PolarHBondContact O-N 2.94Å; G541-T544 PolarHBondContact O-OG1 3.32Å; G541-S545 VanDerWaalsContact O-CB 3.27Å; G541-S545 WeakPolarHBondContact O-CB 3.08Å; G541-S545 PolarHBondContact O-N 2.74Å; G541-S545 PolarHBondContact O-OG 2.93Å
542L96.1Very high96.1Very high119 Ų11984.9 Ų84.962%0.62344%0.444SS*.Hα-helixtrans-69.2-43.6179.8-69.1173.5000111.8P538 T544 S545 Q546P538-L542 VanDerWaalsContact O-CB 3.31Å; P538-L542 WeakPolarHBondContact O-CB 3.28Å; P538-L542 VanDerWaalsContact O-CG 3.27Å; P538-L542 WeakPolarHBondContact O-CG 3.41Å; P538-L542 PolarHBondContact O-N 3.46Å; L542-T544 PolarHBondContact O-N 2.95Å; L542-S545 WeakPolarHBondContact CA-OG 3.33Å; L542-S545 PolarHBondContact O-N 2.96Å; L542-S545 PolarHBondContact O-OG 3.36Å; L542-Q546 WeakPolarHBondContact O-CB 3.27Å; L542-Q546 PolarHBondContact O-N 2.98Å
543L97.2Very high96.1Very high55 Ų5584.1 Ų84.129%0.28844%0.44SS..Hα-helixtrans-62.7-43.9176.8-79.1-179.7000112.8Y539 S545 Q546 N547Y539-L543 HydrophobicContact CD1-CD1 3.91Å; Y539-L543 HydrophobicContact CD2-CD1 3.99Å; Y539-L543 HydrophobicContact CD2-CG 4.34Å; Y539-L543 HydrophobicContact CE1-CD1 3.38Å; Y539-L543 HydrophobicContact CE2-CD1 3.48Å; Y539-L543 VanDerWaalsContact CE2-CD1 3.48Å; Y539-L543 HydrophobicContact CE2-CG 4.1Å; Y539-L543 HydrophobicContact CG-CD1 4.2Å; Y539-L543 VanDerWaalsContact O-CB 3.3Å; Y539-L543 WeakPolarHBondContact O-CB 3.3Å; Y539-L543 WeakPolarHBondContact O-CG 3.32Å; Y539-L543 PolarHBondContact O-N 3.49Å; Y539-L543 WeakPolarHBondContact OH-CD1 3.33Å; L543-S545 VanDerWaalsContact C-N 3.33Å; L543-Q546 PolarHBondContact O-N 2.89Å; L543-N547 WeakPolarHBondContact O-CB 3.5Å; L543-N547 PolarHBondContact O-N 3.26Å
544T96.6Very high96.2Very high73 Ų7387.2 Ų87.245%0.44846%0.456SS..Hα-helixtrans-64.3-41.1176.252.40000110.6L540 G541 L542 Q546 L548 P549L540-T544 WeakPolarHBondContact O-CB 3.33Å; L540-T544 WeakPolarHBondContact O-CG2 3.44Å; L540-T544 PolarHBondContact O-N 2.74Å; L540-T544 PolarHBondContact O-OG1 3.48Å; G541-T544 PolarHBondContact O-OG1 3.32Å; L542-T544 PolarHBondContact O-N 2.95Å; T544-Q546 VanDerWaalsContact C-N 3.34Å; T544-Q546 PolarHBondContact O-N 3.01Å; T544-L548 WeakPolarHBondContact O-CB 3.42Å; T544-L548 PolarHBondContact O-N 3.44Å; T544-P549 WeakPolarHBondContact O-CD 3.37Å
545S96.9Very high96.2Very high60 Ų6087.8 Ų87.842%0.4246%0.461SS..Hα-helixtrans-66.1-29.9176.6770000114.1G541 L542 L543 P549G541-S545 VanDerWaalsContact O-CB 3.27Å; G541-S545 WeakPolarHBondContact O-CB 3.08Å; G541-S545 PolarHBondContact O-N 2.74Å; G541-S545 PolarHBondContact O-OG 2.93Å; L542-S545 WeakPolarHBondContact CA-OG 3.33Å; L542-S545 PolarHBondContact O-N 2.96Å; L542-S545 PolarHBondContact O-OG 3.36Å; L543-S545 VanDerWaalsContact C-N 3.33Å; S545-P549 WeakPolarHBondContact O-CD 3.5Å; S545-P549 WeakPolarHBondContact O-CG 3.46Å
546Q96.8Very high96.2Very high102 Ų10282.1 Ų82.148%0.47745%0.448SS..Iπ-helixtrans-82-47.8177-176.5-179.7-0.100111.3L542 L543 T544 L550 L551L542-Q546 WeakPolarHBondContact O-CB 3.27Å; L542-Q546 PolarHBondContact O-N 2.98Å; L543-Q546 PolarHBondContact O-N 2.89Å; T544-Q546 VanDerWaalsContact C-N 3.34Å; T544-Q546 PolarHBondContact O-N 3.01Å; Q546-L550 WeakPolarHBondContact O-CB 3.19Å; Q546-L551 HydrophobicContact CG-CD1 4.09Å; Q546-L551 WeakPolarHBondContact O-CG 3.05Å; Q546-L551 PolarHBondContact O-N 3.01Å
547N96.6Very high96.2Very high78 Ų7885.5 Ų85.542%0.41745%0.453SS..Iπ-helixtrans-78.7-40.6-169.8-67.1-18.4000112.5L543 L552L543-N547 WeakPolarHBondContact O-CB 3.5Å; L543-N547 PolarHBondContact O-N 3.26Å; N547-L552 WeakPolarHBondContact O-CB 3.39Å; N547-L552 PolarHBondContact O-N 3.01Å
548L95.1Very high96.3Very high98 Ų9884.6 Ų84.651%0.51345%0.449SS..Iπ-helixtrans-83.8-64.6-174.7-68.1172.9000112.8T544 L552 L553T544-L548 WeakPolarHBondContact O-CB 3.42Å; T544-L548 PolarHBondContact O-N 3.44Å; L548-L552 WeakPolarHBondContact O-CB 3.43Å; L548-L553 WeakPolarHBondContact O-CG 3.44Å; L548-L553 PolarHBondContact O-N 2.84Å
549P95.8Very high96.3Very high53 Ų5385.1 Ų85.134%0.34445%0.446SS..Iπ-helixtrans-75.1-49-176.329.8-30.7000111.7T544 S545 L553 D554T544-P549 WeakPolarHBondContact O-CD 3.37Å; S545-P549 WeakPolarHBondContact O-CD 3.5Å; S545-P549 WeakPolarHBondContact O-CG 3.46Å; P549-L553 WeakPolarHBondContact O-CB 3.17Å; P549-L553 PolarHBondContact O-N 3.36Å; P549-D554 PolarHBondContact O-N 2.92Å
550L96.1Very high96.3Very high85 Ų8584.6 Ų84.645%0.44545%0.447SS..Iπ-helixtrans-71.5-60.1-174.1-179.270.1000113.1Q546 L555Q546-L550 WeakPolarHBondContact O-CB 3.19Å; L550-L555 HydrophobicContact CD1-CD1 4.17Å; L550-L555 HydrophobicContact CD1-CG 4.46Å; L550-L555 HydrophobicContact CG-CD1 4.07Å; L550-L555 WeakPolarHBondContact O-CB 3.34Å; L550-L555 WeakPolarHBondContact O-CG 3.39Å; L550-L555 PolarHBondContact O-N 3.07Å
551L96.7Very high96.3Very high76 Ų7684.1 Ų84.140%0.39844%0.444SS..Iπ-helixtrans-76.5-48.5-173.3-70172.2000112.4Q546 L555 T556Q546-L551 HydrophobicContact CG-CD1 4.09Å; Q546-L551 WeakPolarHBondContact O-CG 3.05Å; Q546-L551 PolarHBondContact O-N 3.01Å; L551-L555 HydrophobicContact CD2-CD1 4.12Å; L551-T556 WeakPolarHBondContact O-CB 3.34Å; L551-T556 VanDerWaalsContact O-CG2 3.29Å; L551-T556 WeakPolarHBondContact O-CG2 3.47Å; L551-T556 PolarHBondContact O-N 3.22Å; L551-T556 PolarHBondContact O-OG1 3.37Å
552L96.9Very high96.3Very high74 Ų7487.6 Ų87.639%0.38745%0.454SS..Iπ-helixtrans-80.1-50.6-174.9-171.7152.5000111.9N547 L548 T556 W557N547-L552 WeakPolarHBondContact O-CB 3.39Å; N547-L552 PolarHBondContact O-N 3.01Å; L548-L552 WeakPolarHBondContact O-CB 3.43Å; L552-T556 WeakPolarHBondContact CA-OG1 3.49Å; L552-T556 PolarHBondContact O-OG1 2.8Å; L552-W557 VanDerWaalsContact CD2-CD1 3.43Å; L552-W557 HydrophobicContact CD2-CG 4.49Å; L552-W557 WeakPolarHBondContact O-CB 3.41Å; L552-W557 PolarHBondContact O-N 2.95Å
553L96.3Very high96.2Very high84 Ų8485.5 Ų85.544%0.4445%0.447SS..Iπ-helixtrans-78.9-64.6-177.3-66.7172.5000112L548 P549 W557 L558L548-L553 WeakPolarHBondContact O-CG 3.44Å; L548-L553 PolarHBondContact O-N 2.84Å; P549-L553 WeakPolarHBondContact O-CB 3.17Å; P549-L553 PolarHBondContact O-N 3.36Å; L553-W557 PolarHBondContact O-N 2.7Å; L553-L558 WeakPolarHBondContact O-CB 3.46Å; L553-L558 WeakPolarHBondContact O-CG 3.2Å; L553-L558 PolarHBondContact O-N 2.81Å
554D95.8Very high96.2Very high84 Ų8487.8 Ų87.845%0.44946%0.455SS..Iπ-helixtrans-70.5-52.9-166.4-65.6-17.3000112.3P549 L558P549-D554 PolarHBondContact O-N 2.92Å; D554-L558 WeakPolarHBondContact OD1-CD1 3.4Å
555L95.8Very high96.2Very high78 Ų7886.5 Ų86.541%0.40845%0.447SS..Iπ-helixtrans-79.7-25.8-174.5-69172000114.1L550 L551 E559L550-L555 HydrophobicContact CD1-CD1 4.17Å; L550-L555 HydrophobicContact CD1-CG 4.46Å; L550-L555 HydrophobicContact CG-CD1 4.07Å; L550-L555 WeakPolarHBondContact O-CB 3.34Å; L550-L555 WeakPolarHBondContact O-CG 3.39Å; L550-L555 PolarHBondContact O-N 3.07Å; L551-L555 HydrophobicContact CD2-CD1 4.12Å; L555-E559 VanDerWaalsContact O-CD 3.31Å
556T95.9Very high96.2Very high73 Ų7387.7 Ų87.745%0.44845%0.448SS..Iπ-helixtrans-112.5-61.6-176.958.40000113.4L551 L552 K560L551-T556 WeakPolarHBondContact O-CB 3.34Å; L551-T556 VanDerWaalsContact O-CG2 3.29Å; L551-T556 WeakPolarHBondContact O-CG2 3.47Å; L551-T556 PolarHBondContact O-N 3.22Å; L551-T556 PolarHBondContact O-OG1 3.37Å; L552-T556 WeakPolarHBondContact CA-OG1 3.49Å; L552-T556 PolarHBondContact O-OG1 2.8Å; T556-K560 WeakPolarHBondContact O-CB 3.43Å; T556-K560 PolarHBondContact O-N 2.74Å
557W96.5Very high96.2Very high137 Ų13785.2 Ų85.252%0.51944%0.441SS..Iπ-helixtrans-70.3-49.2-174.2-85.3100.8000113.4L552 L553 K560 L561L552-W557 VanDerWaalsContact CD2-CD1 3.43Å; L552-W557 HydrophobicContact CD2-CG 4.49Å; L552-W557 WeakPolarHBondContact O-CB 3.41Å; L552-W557 PolarHBondContact O-N 2.95Å; L553-W557 PolarHBondContact O-N 2.7Å; W557-K560 PolarHBondContact O-N 3.44Å; W557-L561 HydrophobicContact CB-CD1 4.48Å; W557-L561 HydrophobicContact CE3-CD1 3.85Å; W557-L561 HydrophobicContact CE3-CD2 4.16Å; W557-L561 HydrophobicContact CE3-CG 3.86Å; W557-L561 HydrophobicContact CZ3-CD2 4.21Å; W557-L561 HydrophobicContact CZ3-CG 4.41Å; W557-L561 WeakPolarHBondContact O-CB 3.17Å; W557-L561 WeakPolarHBondContact O-CG 3.2Å; W557-L561 PolarHBondContact O-N 2.82Å
558L96.8Very high96.1Very high91 Ų9188.1 Ų88.148%0.47645%0.453SS..Iπ-helixtrans-64.5-42.4-179.6-69.5-178.8000111.3L553 D554 L562 P563L553-L558 WeakPolarHBondContact O-CB 3.46Å; L553-L558 WeakPolarHBondContact O-CG 3.2Å; L553-L558 PolarHBondContact O-N 2.81Å; D554-L558 WeakPolarHBondContact OD1-CD1 3.4Å; L558-L562 PolarHBondContact O-N 2.87Å; L558-P563 WeakPolarHBondContact O-CD 3.29Å
559E95.8Very high96.1Very high74 Ų7489.5 Ų89.535%0.34646%0.456SS..Hα-helixtrans-65-39.5173.2-76.6-167.9-172.800113.3L555 P563 K564L555-E559 VanDerWaalsContact O-CD 3.31Å; E559-P563 WeakPolarHBondContact O-CD 3.41Å; E559-P563 WeakPolarHBondContact O-CG 3.44Å; E559-K564 WeakPolarHBondContact O-CB 3.2Å; E559-K564 WeakPolarHBondContact O-CG 3.38Å; E559-K564 PolarHBondContact O-N 2.96Å; E559-K564 VanDerWaalsContact O-N 3.09Å; E559-K564 IonicContact OE2-NZ 3.26Å; E559-K564 PolarHBondContact OE2-NZ 2.84Å
560K95.8Very high96Very high141 Ų14192.8 Ų92.861%0.61347%0.467SS*.Iπ-helixtrans-73-43.2-178.2-170.4173.7-177.3-179.80111.2T556 W557 L562 T565T556-K560 WeakPolarHBondContact O-CB 3.43Å; T556-K560 PolarHBondContact O-N 2.74Å; W557-K560 PolarHBondContact O-N 3.44Å; K560-L562 PolarHBondContact O-N 3.44Å; K560-T565 WeakPolarHBondContact O-CG2 3Å; K560-T565 PolarHBondContact O-N 3.49Å
561L96.4Very high95.9Very high95 Ų9593.3 Ų93.350%0.49747%0.469SS..Iπ-helixtrans-67.5-35.1-172.9-79.3169.1000113.8W557 T565W557-L561 HydrophobicContact CB-CD1 4.48Å; W557-L561 HydrophobicContact CE3-CD1 3.85Å; W557-L561 HydrophobicContact CE3-CD2 4.16Å; W557-L561 HydrophobicContact CE3-CG 3.86Å; W557-L561 HydrophobicContact CZ3-CD2 4.21Å; W557-L561 HydrophobicContact CZ3-CG 4.41Å; W557-L561 WeakPolarHBondContact O-CB 3.17Å; W557-L561 WeakPolarHBondContact O-CG 3.2Å; W557-L561 PolarHBondContact O-N 2.82Å; L561-T565 PolarHBondContact O-OG1 3.26Å
562L95.7Very high95.8Very high109 Ų10991.9 Ų91.957%0.57147%0.466SS*.Iπ-helixtrans-112.4-74.7-173.5-71.7170.7000112.5L558 K560 K564 T565 I566L558-L562 PolarHBondContact O-N 2.87Å; K560-L562 PolarHBondContact O-N 3.44Å; L562-K564 PolarHBondContact O-N 2.61Å; L562-T565 PolarHBondContact O-OG1 3.09Å; L562-I566 VanDerWaalsContact O-CB 3.28Å; L562-I566 WeakPolarHBondContact O-CB 3.29Å; L562-I566 WeakPolarHBondContact O-CD1 3.28Å; L562-I566 WeakPolarHBondContact O-CG1 3.12Å; L562-I566 PolarHBondContact O-N 2.97Å
563P95.9Very high95.6Very high75 Ų7592.2 Ų92.249%0.48747%0.471SS..Iπ-helixtrans-68.8-38.2-170.625.4-32.6000112.9L558 E559 S567L558-P563 WeakPolarHBondContact O-CD 3.29Å; E559-P563 WeakPolarHBondContact O-CD 3.41Å; E559-P563 WeakPolarHBondContact O-CG 3.44Å; P563-S567 VanDerWaalsContact O-CB 3.29Å; P563-S567 WeakPolarHBondContact O-CB 3.34Å; P563-S567 PolarHBondContact O-N 2.8Å; P563-S567 PolarHBondContact O-OG 3Å
564K95.3Very high95.5Very high104 Ų10491 Ų9145%0.45247%0.469SS..Iπ-helixtrans-74.4-40.8-179.5-70.3178.2-177.8152.60112.6E559 L562 S567 Q568E559-K564 WeakPolarHBondContact O-CB 3.2Å; E559-K564 WeakPolarHBondContact O-CG 3.38Å; E559-K564 PolarHBondContact O-N 2.96Å; E559-K564 VanDerWaalsContact O-N 3.09Å; E559-K564 IonicContact OE2-NZ 3.26Å; E559-K564 PolarHBondContact OE2-NZ 2.84Å; L562-K564 PolarHBondContact O-N 2.61Å; K564-S567 WeakPolarHBondContact CA-OG 3.41Å; K564-S567 PolarHBondContact O-OG 3.27Å; K564-Q568 WeakPolarHBondContact O-CB 3.02Å; K564-Q568 PolarHBondContact O-N 3.12Å
565T96.8Very high95.4Very high45 Ų4591.3 Ų91.328%0.27647%0.47SS..Hα-helixtrans-64.2-45.5174.249.10000111.4K560 L561 L562 Q568 H569K560-T565 WeakPolarHBondContact O-CG2 3Å; K560-T565 PolarHBondContact O-N 3.49Å; L561-T565 PolarHBondContact O-OG1 3.26Å; L562-T565 PolarHBondContact O-OG1 3.09Å; T565-Q568 PolarHBondContact O-N 3.37Å; T565-H569 WeakPolarHBondContact O-CB 3.16Å; T565-H569 PolarHBondContact O-CD2 3.02Å; T565-H569 PolarHBondContact O-N 2.88Å
566I96.7Very high95.1Very high86 Ų8693.2 Ų93.244%0.44148%0.479SS..Hα-helixtrans-62.2-48.1178.5-67.6167000110.3L562 Q568 H569 Q570L562-I566 VanDerWaalsContact O-CB 3.28Å; L562-I566 WeakPolarHBondContact O-CB 3.29Å; L562-I566 WeakPolarHBondContact O-CD1 3.28Å; L562-I566 WeakPolarHBondContact O-CG1 3.12Å; L562-I566 PolarHBondContact O-N 2.97Å; I566-Q568 PolarHBondContact O-N 2.85Å; I566-H569 PolarHBondContact O-N 3.34Å; I566-Q570 HydrophobicContact CG2-CG 4.38Å; I566-Q570 WeakPolarHBondContact O-CB 3.32Å; I566-Q570 WeakPolarHBondContact O-CG 3.48Å; I566-Q570 PolarHBondContact O-N 2.75Å
567S96.8Very high94.8Very high49 Ų4994.5 Ų94.534%0.34349%0.487SS..Hα-helixtrans-64.1-40.9178.558.10000112.1P563 K564 Q570 I571P563-S567 VanDerWaalsContact O-CB 3.29Å; P563-S567 WeakPolarHBondContact O-CB 3.34Å; P563-S567 PolarHBondContact O-N 2.8Å; P563-S567 PolarHBondContact O-OG 3Å; K564-S567 WeakPolarHBondContact CA-OG 3.41Å; K564-S567 PolarHBondContact O-OG 3.27Å; S567-Q570 PolarHBondContact O-N 3.23Å; S567-I571 WeakPolarHBondContact O-CB 3.43Å; S567-I571 WeakPolarHBondContact O-CD1 3.16Å; S567-I571 WeakPolarHBondContact O-CG1 3.41Å; S567-I571 PolarHBondContact O-N 3.33Å
568Q95.1Very high94.4Very high140 Ų14092 Ų9265%0.65449%0.491SS*.Hα-helixtrans-64.5-41.2176.4-172.4172.83.800111.8K564 T565 I566 S572K564-Q568 WeakPolarHBondContact O-CB 3.02Å; K564-Q568 PolarHBondContact O-N 3.12Å; T565-Q568 PolarHBondContact O-N 3.37Å; I566-Q568 PolarHBondContact O-N 2.85Å; Q568-S572 VanDerWaalsContact O-CB 3.31Å; Q568-S572 WeakPolarHBondContact O-CB 3.22Å; Q568-S572 PolarHBondContact O-N 3.48Å; Q568-S572 PolarHBondContact O-OG 2.98Å
569H94.4Very high93.9Very high126 Ų12692.1 Ų92.158%0.58350%0.495SS*.Hα-helixtrans-62.6-49.2173.3-80.2-56.5000111.1T565 I566 I571 S572 T573T565-H569 WeakPolarHBondContact O-CB 3.16Å; T565-H569 PolarHBondContact O-CD2 3.02Å; T565-H569 PolarHBondContact O-N 2.88Å; I566-H569 PolarHBondContact O-N 3.34Å; H569-I571 PolarHBondContact O-N 2.83Å; H569-S572 WeakPolarHBondContact CA-OG 3.33Å; H569-S572 PolarHBondContact O-N 3.15Å; H569-S572 PolarHBondContact O-OG 2.87Å; H569-T573 WeakPolarHBondContact O-CG2 3.4Å; H569-T573 PolarHBondContact O-N 3.41Å; H569-T573 PolarHBondContact O-OG1 3.19Å
570Q94.6Very high93.3Very high123 Ų12394 Ų9458%0.57550%0.504SS*.Hα-helixtrans-58.3-46.5177.6-74.8178.9-12.500112.2I566 S567 T573 S574I566-Q570 HydrophobicContact CG2-CG 4.38Å; I566-Q570 WeakPolarHBondContact O-CB 3.32Å; I566-Q570 WeakPolarHBondContact O-CG 3.48Å; I566-Q570 PolarHBondContact O-N 2.75Å; S567-Q570 PolarHBondContact O-N 3.23Å; Q570-T573 WeakPolarHBondContact CA-OG1 3.47Å; Q570-T573 PolarHBondContact O-N 3.21Å; Q570-T573 PolarHBondContact O-OG1 3.11Å; Q570-S574 WeakPolarHBondContact O-CB 3.38Å; Q570-S574 PolarHBondContact O-N 2.93Å; Q570-S574 PolarHBondContact O-OG 2.87Å
571I94.5Very high92.8Very high96 Ų9695.1 Ų95.149%0.49251%0.509SS..Hα-helixtrans-62.1-44.9176.6-69164000110.7S567 H569 T573 S574 I575S567-I571 WeakPolarHBondContact O-CB 3.43Å; S567-I571 WeakPolarHBondContact O-CD1 3.16Å; S567-I571 WeakPolarHBondContact O-CG1 3.41Å; S567-I571 PolarHBondContact O-N 3.33Å; H569-I571 PolarHBondContact O-N 2.83Å; I571-T573 VanDerWaalsContact C-N 3.35Å; I571-T573 PolarHBondContact O-N 3.37Å; I571-S574 WeakPolarHBondContact CA-OG 3.31Å; I571-S574 PolarHBondContact O-N 2.93Å; I571-S574 PolarHBondContact O-OG 2.83Å; I571-I575 HydrophobicContact CG2-CD1 3.6Å; I571-I575 HydrophobicContact CG2-CG1 4.3Å; I571-I575 WeakPolarHBondContact O-CB 3.34Å; I571-I575 WeakPolarHBondContact O-CD1 3.38Å; I571-I575 WeakPolarHBondContact O-CG1 3.38Å; I571-I575 PolarHBondContact O-N 3.33Å
572S93.8Very high92.2Very high46 Ų4693 Ų9332%0.32251%0.509SS..Hα-helixtrans-62.9-42.1178.370.70000111.8Q568 H569 I576Q568-S572 VanDerWaalsContact O-CB 3.31Å; Q568-S572 WeakPolarHBondContact O-CB 3.22Å; Q568-S572 PolarHBondContact O-N 3.48Å; Q568-S572 PolarHBondContact O-OG 2.98Å; H569-S572 WeakPolarHBondContact CA-OG 3.33Å; H569-S572 PolarHBondContact O-N 3.15Å; H569-S572 PolarHBondContact O-OG 2.87Å; S572-I576 WeakPolarHBondContact O-CD1 3.44Å; S572-I576 VanDerWaalsContact O-CG1 3.22Å; S572-I576 WeakPolarHBondContact O-CG1 3.18Å; S572-I576 PolarHBondContact O-N 2.78Å; S572-I576 VanDerWaalsContact O-N 3.11Å
573T92.8Very high91.9Very high80 Ų8092.5 Ų92.549%0.49151%0.506SS..Hα-helixtrans-67-40.9176.756.40000111.7H569 Q570 I571 I576 T577H569-T573 WeakPolarHBondContact O-CG2 3.4Å; H569-T573 PolarHBondContact O-N 3.41Å; H569-T573 PolarHBondContact O-OG1 3.19Å; Q570-T573 WeakPolarHBondContact CA-OG1 3.47Å; Q570-T573 PolarHBondContact O-N 3.21Å; Q570-T573 PolarHBondContact O-OG1 3.11Å; I571-T573 VanDerWaalsContact C-N 3.35Å; I571-T573 PolarHBondContact O-N 3.37Å; T573-I576 PolarHBondContact O-N 3.33Å; T573-T577 WeakPolarHBondContact O-CG2 3.45Å; T573-T577 PolarHBondContact O-N 3.45Å; T573-T577 PolarHBondContact O-OG1 3.33Å
574S94.5Very high91.5Very high58 Ų5894.7 Ų94.741%0.40651%0.512SS..Hα-helixtrans-66.3-43.3179.870.40000111.3Q570 I571 I576 T577 S578Q570-S574 WeakPolarHBondContact O-CB 3.38Å; Q570-S574 PolarHBondContact O-N 2.93Å; Q570-S574 PolarHBondContact O-OG 2.87Å; I571-S574 WeakPolarHBondContact CA-OG 3.31Å; I571-S574 PolarHBondContact O-N 2.93Å; I571-S574 PolarHBondContact O-OG 2.83Å; S574-I576 PolarHBondContact O-N 3.23Å; S574-T577 WeakPolarHBondContact CA-OG1 3.27Å; S574-T577 PolarHBondContact O-N 2.9Å; S574-T577 PolarHBondContact O-OG1 3.21Å; S574-S578 VanDerWaalsContact O-CB 3.27Å; S574-S578 WeakPolarHBondContact O-CB 3.48Å; S574-S578 PolarHBondContact O-N 3.12Å; S574-S578 PolarHBondContact O-OG 3.47Å
575I92.9Very high91.2Very high91 Ų9197.6 Ų97.647%0.46753%0.525SS..Hα-helixtrans-56.5-52.9174.3-68.3165.9000109.7I571 T577 S578 T579I571-I575 HydrophobicContact CG2-CD1 3.6Å; I571-I575 HydrophobicContact CG2-CG1 4.3Å; I571-I575 WeakPolarHBondContact O-CB 3.34Å; I571-I575 WeakPolarHBondContact O-CD1 3.38Å; I571-I575 WeakPolarHBondContact O-CG1 3.38Å; I571-I575 PolarHBondContact O-N 3.33Å; I575-T577 VanDerWaalsContact C-N 3.31Å; I575-T577 PolarHBondContact O-N 2.9Å; I575-S578 PolarHBondContact O-N 3.3Å; I575-S578 PolarHBondContact O-OG 3.28Å; I575-S578 VanDerWaalsContact O-OG 3.06Å; I575-T579 HydrophobicContact CG2-CG2 4.18Å; I575-T579 VanDerWaalsContact O-CG2 3.26Å; I575-T579 WeakPolarHBondContact O-CG2 3.26Å; I575-T579 PolarHBondContact O-N 3.06Å; I575-T579 VanDerWaalsContact O-N 3.12Å; I575-T579 PolarHBondContact O-OG1 2.97Å
576I91Very high90.8Very high119 Ų11999.4 Ų99.461%0.6153%0.532SS*.Hα-helixtrans-57.6-42.8-179.6-67.1164.2000111.8S572 T573 S574 T579S572-I576 WeakPolarHBondContact O-CD1 3.44Å; S572-I576 VanDerWaalsContact O-CG1 3.22Å; S572-I576 WeakPolarHBondContact O-CG1 3.18Å; S572-I576 PolarHBondContact O-N 2.78Å; S572-I576 VanDerWaalsContact O-N 3.11Å; T573-I576 PolarHBondContact O-N 3.33Å; S574-I576 PolarHBondContact O-N 3.23Å; I576-T579 PolarHBondContact O-OG1 3.27Å
577T88.8Confident90.3Very high99 Ų9999.7 Ų99.761%0.60753%0.528SS*.Hα-helixtrans-70.7-37.9-179.957.90000113.3T573 S574 I575 Q580T573-T577 WeakPolarHBondContact O-CG2 3.45Å; T573-T577 PolarHBondContact O-N 3.45Å; T573-T577 PolarHBondContact O-OG1 3.33Å; S574-T577 WeakPolarHBondContact CA-OG1 3.27Å; S574-T577 PolarHBondContact O-N 2.9Å; S574-T577 PolarHBondContact O-OG1 3.21Å; I575-T577 VanDerWaalsContact C-N 3.31Å; I575-T577 PolarHBondContact O-N 2.9Å; T577-Q580 WeakPolarHBondContact O-CG 3.43Å
578S87.6Confident89.8Confident86 Ų86104.2 Ų104.260%0.60154%0.542SS*.Hα-helixtrans-80.3-20.9-174.567.50000114.6S574 I575 Q580S574-S578 VanDerWaalsContact O-CB 3.27Å; S574-S578 WeakPolarHBondContact O-CB 3.48Å; S574-S578 PolarHBondContact O-N 3.12Å; S574-S578 PolarHBondContact O-OG 3.47Å; I575-S578 PolarHBondContact O-N 3.3Å; I575-S578 PolarHBondContact O-OG 3.28Å; I575-S578 VanDerWaalsContact O-OG 3.06Å; S578-Q580 PolarHBondContact O-N 3.28Å
579T86.4Confident89.4Confident93 Ų93101.4 Ų101.457%0.57153%0.531SS*.  trans-77.348.2-178.653.70000112.9I575 I576I575-T579 HydrophobicContact CG2-CG2 4.18Å; I575-T579 VanDerWaalsContact O-CG2 3.26Å; I575-T579 WeakPolarHBondContact O-CG2 3.26Å; I575-T579 PolarHBondContact O-N 3.06Å; I575-T579 VanDerWaalsContact O-N 3.12Å; I575-T579 PolarHBondContact O-OG1 2.97Å; I576-T579 PolarHBondContact O-OG1 3.27Å
580Q83.9Confident89.1Confident112 Ų11298.4 Ų98.452%0.52352%0.524SS..  trans-87.2133.8172.6-60.6-61-28.500109.9T577 S578 G582 Y587T577-Q580 WeakPolarHBondContact O-CG 3.43Å; S578-Q580 PolarHBondContact O-N 3.28Å; Q580-G582 VanDerWaalsContact C-N 3.26Å; Q580-G582 PolarHBondContact O-N 2.83Å; Q580-Y587 HydrophobicContact CB-CE1 4.24Å; Q580-Y587 WeakPolarHBondContact CB-OH 3.5Å; Q580-Y587 HydrophobicContact CG-CE1 4.44Å
581K84.4Confident88.6Confident166 Ų16699 Ų9972%0.72253%0.526SS*.  trans-826.4-173.7-64.7-179.1-179.8177.60114.6M583K581-M583 HydrophobicContact CB-CE 3.66Å; K581-M583 HydrophobicContact CB-CG 4.38Å; K581-M583 HydrophobicContact CD-CE 3.58Å; K581-M583 HydrophobicContact CG-CE 4.25Å; K581-M583 PolarHBondContact O-N 2.98Å
582G84.9Confident88.2Confident49 Ų49100.8 Ų100.851%0.50553%0.53SS..  trans67.911.7179.700000115.6Q580Q580-G582 VanDerWaalsContact C-N 3.26Å; Q580-G582 PolarHBondContact O-N 2.83Å
583M89.3Confident87.7Confident100 Ų100105 Ų10549%0.49354%0.543SS..  trans-85.2115.7-177.5-64.1-170.5-123.800111.7K581 K585 L586 Y587K581-M583 HydrophobicContact CB-CE 3.66Å; K581-M583 HydrophobicContact CB-CG 4.38Å; K581-M583 HydrophobicContact CD-CE 3.58Å; K581-M583 HydrophobicContact CG-CE 4.25Å; K581-M583 PolarHBondContact O-N 2.98Å; M583-K585 PolarHBondContact O-N 3.38Å; M583-K585 VanDerWaalsContact O-N 3.12Å; M583-L586 HydrophobicContact CB-CD1 4.2Å; M583-L586 HydrophobicContact CB-CG 4.29Å; M583-L586 HydrophobicContact CE-CD1 4.41Å; M583-L586 PolarHBondContact O-N 3.12Å; M583-L586 HydrophobicContact SD-CD1 4.47Å; M583-Y587 PolarHBondContact O-N 3.19Å
584I87.1Confident87.3Confident121 Ų121104.3 Ų104.362%0.62154%0.539SS*.Hα-helixtrans-52.4-37.5-179.8-62.8168.5000112.4L586 Y587 F588I584-L586 VanDerWaalsContact C-N 3.33Å; I584-L586 PolarHBondContact O-N 3.34Å; I584-Y587 PolarHBondContact O-N 3.09Å; I584-F588 HydrophobicContact CG2-CD2 3.56Å; I584-F588 HydrophobicContact CG2-CE2 3.32Å; I584-F588 HydrophobicContact CG2-CZ 4.42Å; I584-F588 WeakPolarHBondContact O-CD2 3.31Å; I584-F588 PolarHBondContact O-N 3.45Å
585K89.3Confident86.7Confident165 Ų165106.5 Ų106.572%0.71755%0.546SS*.Hα-helixtrans-57.8-41.9177.2-177.3177.6178.2179.20112.9M583 L589M583-K585 PolarHBondContact O-N 3.38Å; M583-K585 VanDerWaalsContact O-N 3.12Å; K585-L589 HydrophobicContact CG-CD1 4.41Å; K585-L589 PolarHBondContact O-N 2.94Å
586L88Confident86.2Confident83 Ų83105.5 Ų105.544%0.43554%0.541SS..Hα-helixtrans-71.3-35.7-179.8-66.9175.6000111.1M583 I584 L589 S590M583-L586 HydrophobicContact CB-CD1 4.2Å; M583-L586 HydrophobicContact CB-CG 4.29Å; M583-L586 HydrophobicContact CE-CD1 4.41Å; M583-L586 PolarHBondContact O-N 3.12Å; M583-L586 HydrophobicContact SD-CD1 4.47Å; I584-L586 VanDerWaalsContact C-N 3.33Å; I584-L586 PolarHBondContact O-N 3.34Å; L586-L589 PolarHBondContact O-N 3.2Å; L586-S590 PolarHBondContact O-N 3.46Å; L586-S590 PolarHBondContact O-OG 3.46Å
587Y86.9Confident85.8Confident91 Ų91104.5 Ų104.536%0.35754%0.536SS..Hα-helixtrans-65.9-43.9176.6-63.2-43.2000112.5Q580 M583 I584 L589 S590 F591Q580-Y587 HydrophobicContact CB-CE1 4.24Å; Q580-Y587 WeakPolarHBondContact CB-OH 3.5Å; Q580-Y587 HydrophobicContact CG-CE1 4.44Å; M583-Y587 PolarHBondContact O-N 3.19Å; I584-Y587 PolarHBondContact O-N 3.09Å; Y587-L589 PolarHBondContact O-N 2.7Å; Y587-S590 WeakPolarHBondContact CA-OG 3.22Å; Y587-S590 PolarHBondContact O-N 3.17Å; Y587-S590 PolarHBondContact O-OG 3.2Å; Y587-F591 VanDerWaalsContact O-CD2 3.28Å; Y587-F591 WeakPolarHBondContact O-CD2 2.85Å; Y587-F591 PolarHBondContact O-N 3.07Å; Y587-F591 VanDerWaalsContact O-N 3.09Å
588F85.9Confident85.6Confident144 Ų144103 Ų10363%0.63253%0.527SS*.Hα-helixtrans-63.8-39.8174.9-77.7-58.3000112.9I584 S590 F591 F592I584-F588 HydrophobicContact CG2-CD2 3.56Å; I584-F588 HydrophobicContact CG2-CE2 3.32Å; I584-F588 HydrophobicContact CG2-CZ 4.42Å; I584-F588 WeakPolarHBondContact O-CD2 3.31Å; I584-F588 PolarHBondContact O-N 3.45Å; F588-S590 VanDerWaalsContact C-N 3.32Å; F588-S590 PolarHBondContact O-N 3.41Å; F588-F591 HydrophobicContact CD1-CD2 4.49Å; F588-F591 PolarHBondContact O-N 3.22Å; F588-F592 PolarHBondContact O-N 3.39Å; F588-F592 VanDerWaalsContact O-N 3.17Å
589L87Confident85.3Confident81 Ų81104 Ų10442%0.42453%0.525SS..Hα-helixtrans-59.7-42.7172.3-88.7160.7000111.6K585 L586 Y587 F591 F592 F593K585-L589 HydrophobicContact CG-CD1 4.41Å; K585-L589 PolarHBondContact O-N 2.94Å; L586-L589 PolarHBondContact O-N 3.2Å; Y587-L589 PolarHBondContact O-N 2.7Å; L589-F591 VanDerWaalsContact C-N 3.27Å; L589-F591 PolarHBondContact O-N 3.37Å; L589-F592 PolarHBondContact O-N 2.91Å; L589-F593 WeakPolarHBondContact O-CD2 3.47Å; L589-F593 PolarHBondContact O-N 3.45Å
590S86.7Confident85Confident63 Ų63105.2 Ų105.244%0.44153%0.528SS..Hα-helixtrans-67.6-20.7177.467.40000114.5L586 Y587 F588 P594L586-S590 PolarHBondContact O-N 3.46Å; L586-S590 PolarHBondContact O-OG 3.46Å; Y587-S590 WeakPolarHBondContact CA-OG 3.22Å; Y587-S590 PolarHBondContact O-N 3.17Å; Y587-S590 PolarHBondContact O-OG 3.2Å; F588-S590 VanDerWaalsContact C-N 3.32Å; F588-S590 PolarHBondContact O-N 3.41Å; S590-P594 WeakPolarHBondContact O-CD 3.44Å; S590-P594 WeakPolarHBondContact O-CG 3.42Å
591F85.1Confident84.7Confident137 Ų137106.2 Ų106.260%0.60154%0.536SS*.Hα-helixtrans-82.7-31.3172.1-68.6-47.5000112.8Y587 F588 L589 P594Y587-F591 VanDerWaalsContact O-CD2 3.28Å; Y587-F591 WeakPolarHBondContact O-CD2 2.85Å; Y587-F591 PolarHBondContact O-N 3.07Å; Y587-F591 VanDerWaalsContact O-N 3.09Å; F588-F591 HydrophobicContact CD1-CD2 4.49Å; F588-F591 PolarHBondContact O-N 3.22Å; L589-F591 VanDerWaalsContact C-N 3.27Å; L589-F591 PolarHBondContact O-N 3.37Å; F591-P594 WeakPolarHBondContact O-CD 3.44Å; F591-P594 WeakPolarHBondContact O-CG 3.28Å
592F85.7Confident83.9Confident133 Ų133105.3 Ų105.358%0.58354%0.537SS*.Hα-helixtrans-72-39.7-179.1-164.1-109.8000112.6F588 L589 L595 I596F588-F592 PolarHBondContact O-N 3.39Å; F588-F592 VanDerWaalsContact O-N 3.17Å; L589-F592 PolarHBondContact O-N 2.91Å; F592-L595 WeakPolarHBondContact O-CB 3.4Å; F592-L595 PolarHBondContact O-N 3.25Å; F592-I596 HydrophobicContact CD1-CD1 3.43Å; F592-I596 VanDerWaalsContact CD1-CD1 3.43Å; F592-I596 HydrophobicContact CD1-CG1 4.3Å; F592-I596 HydrophobicContact CE1-CD1 3.22Å; F592-I596 HydrophobicContact CE1-CG1 4.08Å; F592-I596 HydrophobicContact CG-CD1 4.36Å; F592-I596 HydrophobicContact CZ-CD1 3.99Å; F592-I596 HydrophobicContact CZ-CG1 4.42Å; F592-I596 PolarHBondContact O-N 3Å; F592-I596 VanDerWaalsContact O-N 3.09Å
593F84.3Confident82.5Confident134 Ų134110.2 Ų110.259%0.58856%0.557SS**Hα-helixtrans-56.6-54.3178.4-92.8-72.6000114.7L589 L595 I596 L597L589-F593 WeakPolarHBondContact O-CD2 3.47Å; L589-F593 PolarHBondContact O-N 3.45Å; F593-L595 VanDerWaalsContact C-N 3.25Å; F593-L595 PolarHBondContact O-N 3.29Å; F593-I596 PolarHBondContact O-N 2.95Å; F593-L597 WeakPolarHBondContact O-CB 3.33Å; F593-L597 PolarHBondContact O-N 2.83Å
594P83.1Confident82.1Confident65 Ų65110.7 Ų110.742%0.42256%0.561SS.*Hα-helixtrans-64.9-30.6178.622.9-30.9000111.8S590 F591 L597 T598S590-P594 WeakPolarHBondContact O-CD 3.44Å; S590-P594 WeakPolarHBondContact O-CG 3.42Å; F591-P594 WeakPolarHBondContact O-CD 3.44Å; F591-P594 WeakPolarHBondContact O-CG 3.28Å; P594-L597 CarbonylContact O-C 3.59Å; P594-L597 PolarHBondContact O-N 3.01Å; P594-T598 WeakPolarHBondContact O-CB 3.37Å; P594-T598 VanDerWaalsContact O-CG2 3.31Å; P594-T598 WeakPolarHBondContact O-CG2 3.12Å; P594-T598 PolarHBondContact O-N 2.75Å; P594-T598 PolarHBondContact O-OG1 3.22Å
595L81.9Confident81.9Confident104 Ų104110.2 Ų110.255%0.54556%0.557SS.*Hα-helixtrans-63.7-45.7176.4-129.6154000111.4F592 F593 L597 T598 L599F592-L595 WeakPolarHBondContact O-CB 3.4Å; F592-L595 PolarHBondContact O-N 3.25Å; F593-L595 VanDerWaalsContact C-N 3.25Å; F593-L595 PolarHBondContact O-N 3.29Å; L595-L597 VanDerWaalsContact C-N 3.35Å; L595-T598 WeakPolarHBondContact CA-OG1 3.21Å; L595-T598 PolarHBondContact O-N 3.47Å; L595-T598 PolarHBondContact O-OG1 2.95Å; L595-L599 HydrophobicContact CD2-CD1 4.16Å; L595-L599 WeakPolarHBondContact O-CB 3.43Å; L595-L599 PolarHBondContact O-N 3.32Å
596I83.9Confident81.5Confident70 Ų70107.1 Ų107.136%0.35955%0.549SS..Hα-helixtrans-61.6-44.3171.5-68.8164.8000110.9F592 F593 T598 L599 L600F592-I596 HydrophobicContact CD1-CD1 3.43Å; F592-I596 VanDerWaalsContact CD1-CD1 3.43Å; F592-I596 HydrophobicContact CD1-CG1 4.3Å; F592-I596 HydrophobicContact CE1-CD1 3.22Å; F592-I596 HydrophobicContact CE1-CG1 4.08Å; F592-I596 HydrophobicContact CG-CD1 4.36Å; F592-I596 HydrophobicContact CZ-CD1 3.99Å; F592-I596 HydrophobicContact CZ-CG1 4.42Å; F592-I596 PolarHBondContact O-N 3Å; F592-I596 VanDerWaalsContact O-N 3.09Å; F593-I596 PolarHBondContact O-N 2.95Å; I596-T598 VanDerWaalsContact C-N 3.34Å; I596-T598 PolarHBondContact O-N 3.47Å; I596-L599 PolarHBondContact O-N 3.36Å; I596-L600 HydrophobicContact CG2-CD1 3.76Å; I596-L600 WeakPolarHBondContact O-CB 3.45Å; I596-L600 PolarHBondContact O-N 3.09Å
597L82.5Confident81.1Confident99 Ų99108.5 Ų108.552%0.51856%0.555SS.*Hα-helixtrans-65.4-38.1-177.8-132.4153.1000111.7F593 P594 L595 L600 L601F593-L597 WeakPolarHBondContact O-CB 3.33Å; F593-L597 PolarHBondContact O-N 2.83Å; P594-L597 CarbonylContact O-C 3.59Å; P594-L597 PolarHBondContact O-N 3.01Å; L595-L597 VanDerWaalsContact C-N 3.35Å; L597-L600 PolarHBondContact O-N 3.5Å; L597-L601 HydrophobicContact CD2-CD1 3.49Å; L597-L601 VanDerWaalsContact CD2-CD1 3.49Å; L597-L601 HydrophobicContact CD2-CG 4.2Å; L597-L601 WeakPolarHBondContact O-CB 3.43Å; L597-L601 WeakPolarHBondContact O-CG 3.48Å; L597-L601 PolarHBondContact O-N 3.28Å
598T83.9Confident80.7Confident67 Ų67109.6 Ų109.641%0.41157%0.568SS.*Hα-helixtrans-68.5-40.2173.751.90000111.9P594 L595 I596 L600 L601 I602P594-T598 WeakPolarHBondContact O-CB 3.37Å; P594-T598 VanDerWaalsContact O-CG2 3.31Å; P594-T598 WeakPolarHBondContact O-CG2 3.12Å; P594-T598 PolarHBondContact O-N 2.75Å; P594-T598 PolarHBondContact O-OG1 3.22Å; L595-T598 WeakPolarHBondContact CA-OG1 3.21Å; L595-T598 PolarHBondContact O-N 3.47Å; L595-T598 PolarHBondContact O-OG1 2.95Å; I596-T598 VanDerWaalsContact C-N 3.34Å; I596-T598 PolarHBondContact O-N 3.47Å; T598-L600 VanDerWaalsContact C-N 3.35Å; T598-L600 PolarHBondContact O-N 3.48Å; T598-L601 PolarHBondContact O-N 3.28Å; T598-I602 WeakPolarHBondContact O-CB 3.43Å; T598-I602 WeakPolarHBondContact O-CD1 3.4Å; T598-I602 WeakPolarHBondContact O-CG1 3.47Å; T598-I602 PolarHBondContact O-N 3.17Å
599L80.9Confident80.4Confident107 Ų107107.3 Ų107.356%0.5656%0.563SS**Hα-helixtrans-60.8-45.8174.3-93152.6000110.9L595 I596 L601 I602 T603L595-L599 HydrophobicContact CD2-CD1 4.16Å; L595-L599 WeakPolarHBondContact O-CB 3.43Å; L595-L599 PolarHBondContact O-N 3.32Å; I596-L599 PolarHBondContact O-N 3.36Å; L599-L601 VanDerWaalsContact C-N 3.33Å; L599-L601 PolarHBondContact O-N 3.24Å; L599-I602 PolarHBondContact O-N 3.01Å; L599-T603 WeakPolarHBondContact O-CG2 3.5Å; L599-T603 PolarHBondContact O-N 3.5Å; L599-T603 PolarHBondContact O-OG1 3Å
600L80.4Confident79.9Confident119 Ų119109.2 Ų109.262%0.62357%0.573SS**Hα-helixtrans-67.6-26.2176.9-83.2163.1000114.5I596 L597 T598 T603I596-L600 HydrophobicContact CG2-CD1 3.76Å; I596-L600 WeakPolarHBondContact O-CB 3.45Å; I596-L600 PolarHBondContact O-N 3.09Å; L597-L600 PolarHBondContact O-N 3.5Å; T598-L600 VanDerWaalsContact C-N 3.35Å; T598-L600 PolarHBondContact O-N 3.48Å; L600-T603 PolarHBondContact O-OG1 2.91Å
601L77.4Confident79.4Confident133 Ų133112.8 Ų112.870%0.69658%0.584SS**Hα-helixtrans-89.5-20.2177.4-82166.3000113.1L597 T598 L599L597-L601 HydrophobicContact CD2-CD1 3.49Å; L597-L601 VanDerWaalsContact CD2-CD1 3.49Å; L597-L601 HydrophobicContact CD2-CG 4.2Å; L597-L601 WeakPolarHBondContact O-CB 3.43Å; L597-L601 WeakPolarHBondContact O-CG 3.48Å; L597-L601 PolarHBondContact O-N 3.28Å; T598-L601 PolarHBondContact O-N 3.28Å; L599-L601 VanDerWaalsContact C-N 3.33Å; L599-L601 PolarHBondContact O-N 3.24Å
602I68.7Low78.9Confident147 Ų147110.8 Ų110.875%0.75458%0.582SS**Hα-helixtrans-96.2-22.8-179.3-65.7167.1000111.4T598 L599T598-I602 WeakPolarHBondContact O-CB 3.43Å; T598-I602 WeakPolarHBondContact O-CD1 3.4Å; T598-I602 WeakPolarHBondContact O-CG1 3.47Å; T598-I602 PolarHBondContact O-N 3.17Å; L599-I602 PolarHBondContact O-N 3.01Å
603T54.1Low78.3Confident151 Ų151108.7 Ų108.793%0.92658%0.582SS**  trans-80.80160.557.90000110.8L599 L600L599-T603 WeakPolarHBondContact O-CG2 3.5Å; L599-T603 PolarHBondContact O-N 3.5Å; L599-T603 PolarHBondContact O-OG1 3Å; L600-T603 PolarHBondContact O-OG1 2.91Å

Retrieved 603 of 603 residues in 613.2 ms (Link to these results)

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