A0A060W567_ONCMY Loading...

Nurim

AlphaFold DB , UniProt , Accession A0A060W567, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene nrm, Length 275 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M57.8Low76.8Confident207 Ų20795.1 Ų95.1100%1.0255%0.547SS*.  0-52.40-74.6-175.3157.200112.4S3 V4 T5M1-S3 PolarHBondContact O-N 3.27Å; M1-V4 PolarHBondContact O-N 3.06Å; M1-T5 PolarHBondContact O-N 3.01Å; M1-T5 PolarHBondContact O-OG1 3.35Å
2A61.6Low77.6Confident80 Ų8092.3 Ų92.366%0.66154%0.536SS*.Hα-helixtrans-60.9-33.518000000115.9T5 A6A2-T5 WeakPolarHBondContact CA-OG1 3.31Å; A2-T5 PolarHBondContact O-OG1 3.18Å; A2-A6 VanDerWaalsContact O-CB 3.31Å; A2-A6 WeakPolarHBondContact O-CB 3.42Å; A2-A6 PolarHBondContact O-N 3.25Å
3S66.8Low78.6Confident94 Ų9492.6 Ų92.666%0.65753%0.533SS*.Hα-helixtrans-74.3-29.917867.90000113.4M1 R7M1-S3 PolarHBondContact O-N 3.27Å; S3-R7 WeakPolarHBondContact O-CB 3.37Å; S3-R7 PolarHBondContact O-N 3.43Å
4V70Confident79.4Confident105 Ų10591.7 Ų91.764%0.63653%0.525SS*.Hα-helixtrans-73.5-42.1178.7177.80000110M1 R7 G8M1-V4 PolarHBondContact O-N 3.06Å; V4-R7 PolarHBondContact O-N 3.17Å; V4-G8 PolarHBondContact O-N 2.78Å
5T76.1Confident80Confident91 Ų9185.9 Ų85.956%0.55849%0.492SS*.Hα-helixtrans-67.4-40174.345.40000112.2M1 A2 G8 M9M1-T5 PolarHBondContact O-N 3.01Å; M1-T5 PolarHBondContact O-OG1 3.35Å; A2-T5 WeakPolarHBondContact CA-OG1 3.31Å; A2-T5 PolarHBondContact O-OG1 3.18Å; T5-G8 PolarHBondContact O-N 3.39Å; T5-M9 WeakPolarHBondContact O-CB 3.45Å; T5-M9 PolarHBondContact O-N 3.25Å
6A82.3Confident80.6Confident53 Ų5387.3 Ų87.344%0.43850%0.496SS..Hα-helixtrans-63.5-4217500000112.6A2 M9 T10A2-A6 VanDerWaalsContact O-CB 3.31Å; A2-A6 WeakPolarHBondContact O-CB 3.42Å; A2-A6 PolarHBondContact O-N 3.25Å; A6-M9 PolarHBondContact O-N 3.28Å; A6-T10 PolarHBondContact O-N 2.65Å; A6-T10 PolarHBondContact O-OG1 3.43Å
7R83.6Confident81.3Confident166 Ų16688.4 Ų88.463%0.62650%0.5SS*.Hα-helixtrans-62.5-50174.4-179.2176.4169.2-175.2-6.5111.1S3 V4 M9 T10 L11S3-R7 WeakPolarHBondContact O-CB 3.37Å; S3-R7 PolarHBondContact O-N 3.43Å; V4-R7 PolarHBondContact O-N 3.17Å; R7-M9 VanDerWaalsContact C-N 3.32Å; R7-M9 PolarHBondContact O-N 3.48Å; R7-T10 PolarHBondContact O-N 3.03Å; R7-L11 HydrophobicContact CG-CD1 4.13Å; R7-L11 HydrophobicContact CG-CG 4.47Å; R7-L11 VanDerWaalsContact O-CG 3.27Å; R7-L11 WeakPolarHBondContact O-CG 3.27Å; R7-L11 PolarHBondContact O-N 2.95Å
8G83.5Confident82Confident15 Ų1584.2 Ų84.216%0.15548%0.476CS..Hα-helixtrans-57.5-44.1177.800000112.7V4 T5 T10 L11 C12V4-G8 PolarHBondContact O-N 2.78Å; T5-G8 PolarHBondContact O-N 3.39Å; G8-T10 PolarHBondContact O-N 2.94Å; G8-L11 PolarHBondContact O-N 3Å; G8-C12 PolarHBondContact O-N 3.21Å; G8-C12 PolarHBondContact O-SG 3.33Å; G8-C12 VanDerWaalsContact O-SG 3.33Å
9M86.5Confident82.4Confident126 Ų12682.4 Ų82.462%0.62146%0.463SS*.Hα-helixtrans-63.2-41.5178.1-159178.9-6400112.2T5 A6 R7 C12 I13T5-M9 WeakPolarHBondContact O-CB 3.45Å; T5-M9 PolarHBondContact O-N 3.25Å; A6-M9 PolarHBondContact O-N 3.28Å; R7-M9 VanDerWaalsContact C-N 3.32Å; R7-M9 PolarHBondContact O-N 3.48Å; M9-C12 PolarHBondContact O-N 3.02Å; M9-I13 HydrophobicContact CG-CD1 4.42Å; M9-I13 VanDerWaalsContact O-CG1 3.32Å; M9-I13 WeakPolarHBondContact O-CG1 3.32Å; M9-I13 PolarHBondContact O-N 3.49Å
10T88.1Confident82.9Confident80 Ų8081.8 Ų81.849%0.49146%0.461SS..Hα-helixtrans-63-43.8176.1-53.50000111.7A6 R7 G8 C12 I13 L14A6-T10 PolarHBondContact O-N 2.65Å; A6-T10 PolarHBondContact O-OG1 3.43Å; R7-T10 PolarHBondContact O-N 3.03Å; G8-T10 PolarHBondContact O-N 2.94Å; T10-C12 PolarHBondContact O-N 3.03Å; T10-I13 PolarHBondContact O-N 3.44Å; T10-L14 HydrophobicContact CG2-CD1 4.15Å; T10-L14 WeakPolarHBondContact O-CG 3.06Å; T10-L14 PolarHBondContact O-N 2.91Å
11L88.3Confident83.5Confident29 Ų2981.4 Ų81.415%0.15245%0.454CS..Hα-helixtrans-62.7-42.9177.6-63.2170.1000111.3R7 G8 L14 A15 L101 V175R7-L11 HydrophobicContact CG-CD1 4.13Å; R7-L11 HydrophobicContact CG-CG 4.47Å; R7-L11 VanDerWaalsContact O-CG 3.27Å; R7-L11 WeakPolarHBondContact O-CG 3.27Å; R7-L11 PolarHBondContact O-N 2.95Å; G8-L11 PolarHBondContact O-N 3Å; L11-L14 PolarHBondContact O-N 3.03Å; L11-A15 WeakPolarHBondContact O-CB 3.33Å; L11-A15 PolarHBondContact O-N 2.97Å; L11-L101 HydrophobicContact CD2-CD1 3.26Å; L11-L101 HydrophobicContact CG-CD1 4.46Å; L11-V175 HydrophobicContact CB-CG1 3.73Å
12C87.2Confident85.2Confident62 Ų6272.5 Ų72.542%0.41941%0.412SS..Hα-helixtrans-61.9-44.2176.7-71.70000112.2G8 M9 T10 A15 L16G8-C12 PolarHBondContact O-N 3.21Å; G8-C12 PolarHBondContact O-SG 3.33Å; G8-C12 VanDerWaalsContact O-SG 3.33Å; M9-C12 PolarHBondContact O-N 3.02Å; T10-C12 PolarHBondContact O-N 3.03Å; C12-A15 PolarHBondContact O-N 3.12Å; C12-L16 WeakPolarHBondContact O-CB 3.23Å; C12-L16 PolarHBondContact O-N 2.84Å
13I89.6Confident86.7Confident96 Ų9674.2 Ų74.249%0.49240%0.404SS..Hα-helixtrans-61.6-47.5177.4-68.8165.7000110.5M9 T10 A15 L16 L17M9-I13 HydrophobicContact CG-CD1 4.42Å; M9-I13 VanDerWaalsContact O-CG1 3.32Å; M9-I13 WeakPolarHBondContact O-CG1 3.32Å; M9-I13 PolarHBondContact O-N 3.49Å; T10-I13 PolarHBondContact O-N 3.44Å; I13-A15 VanDerWaalsContact C-N 3.34Å; I13-A15 PolarHBondContact O-N 2.85Å; I13-L16 PolarHBondContact O-N 3.12Å; I13-L17 HydrophobicContact CG2-CD1 3.95Å; I13-L17 HydrophobicContact CG2-CG 4.38Å; I13-L17 WeakPolarHBondContact O-CG 3.33Å; I13-L17 PolarHBondContact O-N 3.26Å
14L90.1Very high88Confident80 Ų8073.7 Ų73.742%0.41939%0.393SS..Hα-helixtrans-61.6-41.4178.4-73.5169.4000112.2T10 L11 L17 N18 L101T10-L14 HydrophobicContact CG2-CD1 4.15Å; T10-L14 WeakPolarHBondContact O-CG 3.06Å; T10-L14 PolarHBondContact O-N 2.91Å; L11-L14 PolarHBondContact O-N 3.03Å; L14-L17 PolarHBondContact O-N 3.22Å; L14-N18 WeakPolarHBondContact O-CB 3.17Å; L14-N18 PolarHBondContact O-N 3Å; L14-L101 HydrophobicContact CB-CD2 4.36Å; L14-L101 HydrophobicContact CD1-CD2 3.89Å
15A88.8Confident89.2Confident4 Ų468.8 Ų68.83%0.03336%0.363CS..Hα-helixtrans-64.1-41.317700000112.1L11 C12 I13 F19 I172 V175L11-A15 WeakPolarHBondContact O-CB 3.33Å; L11-A15 PolarHBondContact O-N 2.97Å; C12-A15 PolarHBondContact O-N 3.12Å; I13-A15 VanDerWaalsContact C-N 3.34Å; I13-A15 PolarHBondContact O-N 2.85Å; A15-F19 WeakPolarHBondContact O-CB 3.45Å; A15-F19 PolarHBondContact O-N 3.39Å; A15-I172 HydrophobicContact CB-CG1 4.4Å; A15-V175 HydrophobicContact CB-CB 4.2Å; A15-V175 HydrophobicContact CB-CG1 4.27Å; A15-V175 HydrophobicContact CB-CG2 4.04Å
16L89.8Confident90Very high108 Ų10866 Ų6657%0.56535%0.353SS*.Hα-helixtrans-65.8-45.8177.2-167.792.9000111.5C12 I13 N18 F19 V20C12-L16 WeakPolarHBondContact O-CB 3.23Å; C12-L16 PolarHBondContact O-N 2.84Å; I13-L16 PolarHBondContact O-N 3.12Å; L16-N18 VanDerWaalsContact C-N 3.35Å; L16-N18 PolarHBondContact O-N 3.44Å; L16-F19 WeakPolarHBondContact O-CB 3.33Å; L16-F19 PolarHBondContact O-N 3.16Å; L16-V20 WeakPolarHBondContact O-CG2 3.32Å; L16-V20 PolarHBondContact O-N 2.91Å
17L92.4Very high90.5Very high107 Ų10765.4 Ų65.456%0.5635%0.348SS*.Hα-helixtrans-60.3-45.5176.9-72.9173.7000111.3I13 L14 F19 V20 F21I13-L17 HydrophobicContact CG2-CD1 3.95Å; I13-L17 HydrophobicContact CG2-CG 4.38Å; I13-L17 WeakPolarHBondContact O-CG 3.33Å; I13-L17 PolarHBondContact O-N 3.26Å; L14-L17 PolarHBondContact O-N 3.22Å; L17-F19 VanDerWaalsContact C-N 3.32Å; L17-F19 PolarHBondContact O-N 3.37Å; L17-V20 PolarHBondContact O-N 2.86Å; L17-F21 WeakPolarHBondContact O-CB 3.25Å; L17-F21 PolarHBondContact O-N 3.47Å
18N92.7Very high91Very high13 Ų1360 Ų607%0.0733%0.331CS..Hα-helixtrans-57.5-46.6173.817264.2000111.4L14 L16 V20 F21 V22 A104 S108 L170L14-N18 WeakPolarHBondContact O-CB 3.17Å; L14-N18 PolarHBondContact O-N 3Å; L16-N18 VanDerWaalsContact C-N 3.35Å; L16-N18 PolarHBondContact O-N 3.44Å; N18-V20 PolarHBondContact O-N 2.86Å; N18-F21 PolarHBondContact O-N 3.02Å; N18-V22 VanDerWaalsContact O-CG2 3.26Å; N18-V22 WeakPolarHBondContact O-CG2 3.3Å; N18-V22 PolarHBondContact O-N 3.4Å; N18-A104 HydrophobicContact CB-CB 4.3Å; N18-A104 WeakPolarHBondContact ND2-CA 3.31Å; N18-A104 PolarHBondContact OD1-O 3.48Å; N18-S108 WeakPolarHBondContact OD1-CA 3.5Å; N18-S108 WeakPolarHBondContact OD1-CB 3.32Å; N18-S108 PolarHBondContact OD1-N 3.23Å; N18-L170 PolarHBondContact ND2-O 3.18Å
19F90.9Very high91.5Very high50 Ų5060.7 Ų60.722%0.21933%0.33CS..Hα-helixtrans-59.5-49.3179.6176.6-85.8000112.6A15 L16 L17 F21 V22 F23 Y166 P167 L170 I172A15-F19 WeakPolarHBondContact O-CB 3.45Å; A15-F19 PolarHBondContact O-N 3.39Å; L16-F19 WeakPolarHBondContact O-CB 3.33Å; L16-F19 PolarHBondContact O-N 3.16Å; L17-F19 VanDerWaalsContact C-N 3.32Å; L17-F19 PolarHBondContact O-N 3.37Å; F19-F21 VanDerWaalsContact C-N 3.33Å; F19-F21 PolarHBondContact O-N 3.37Å; F19-V22 PolarHBondContact O-N 3.02Å; F19-F23 VanDerWaalsContact O-CB 3.23Å; F19-F23 WeakPolarHBondContact O-CB 3.25Å; F19-F23 PolarHBondContact O-N 3.44Å; F19-Y166 HydrophobicContact CD2-CD1 4.47Å; F19-Y166 HydrophobicContact CD2-CE1 4.25Å; F19-Y166 AromaticContact CE2-CD1 3.49Å; F19-Y166 HydrophobicContact CE2-CD1 3.49Å; F19-Y166 VanDerWaalsContact CE2-CD1 3.49Å; F19-Y166 AromaticContact CE2-CE1 3.51Å; F19-Y166 HydrophobicContact CE2-CE1 3.51Å; F19-Y166 AromaticContact CZ-CD1 3.91Å; F19-Y166 HydrophobicContact CZ-CD1 3.91Å; F19-Y166 AromaticContact CZ-CE1 3.79Å; F19-Y166 HydrophobicContact CZ-CE1 3.79Å; F19-P167 HydrophobicContact CE2-CG 4.5Å; F19-L170 HydrophobicContact CB-CD1 4.4Å; F19-L170 HydrophobicContact CD2-CB 4.29Å; F19-L170 HydrophobicContact CD2-CD1 3.29Å; F19-L170 HydrophobicContact CD2-CG 4.37Å; F19-L170 HydrophobicContact CE2-CD1 3.74Å; F19-L170 HydrophobicContact CG-CD1 4.05Å; F19-I172 HydrophobicContact CB-CD1 3.61Å; F19-I172 HydrophobicContact CB-CG1 4.22Å; F19-I172 HydrophobicContact CD1-CD1 4.5Å; F19-I172 HydrophobicContact CD2-CD1 3.26Å; F19-I172 HydrophobicContact CD2-CG1 4.21Å; F19-I172 HydrophobicContact CE2-CD1 4.03Å; F19-I172 HydrophobicContact CG-CD1 3.56Å
20V92.9Very high91.8Very high69 Ų6956.1 Ų56.142%0.41831%0.31SS..Hα-helixtrans-60.8-45.1178.6172.80000110.4L16 L17 N18 F23 I24L16-V20 WeakPolarHBondContact O-CG2 3.32Å; L16-V20 PolarHBondContact O-N 2.91Å; L17-V20 PolarHBondContact O-N 2.86Å; N18-V20 PolarHBondContact O-N 2.86Å; V20-F23 PolarHBondContact O-N 3.22Å; V20-I24 HydrophobicContact CG1-CD1 3.63Å; V20-I24 HydrophobicContact CG1-CG1 4.35Å; V20-I24 WeakPolarHBondContact O-CB 3.41Å; V20-I24 VanDerWaalsContact O-CG1 3.25Å; V20-I24 WeakPolarHBondContact O-CG1 3.4Å; V20-I24 PolarHBondContact O-N 3.46Å
21F94.9Very high91.9Very high74 Ų7459.9 Ų59.933%0.32532%0.315SS..Hα-helixtrans-62.1-46.5179.7177.2-113.3000112.9L17 N18 F19 F23 T25 S108 A111 L112 Q115L17-F21 WeakPolarHBondContact O-CB 3.25Å; L17-F21 PolarHBondContact O-N 3.47Å; N18-F21 PolarHBondContact O-N 3.02Å; F19-F21 VanDerWaalsContact C-N 3.33Å; F19-F21 PolarHBondContact O-N 3.37Å; F21-F23 VanDerWaalsContact C-N 3.35Å; F21-T25 WeakPolarHBondContact O-CB 3.42Å; F21-T25 PolarHBondContact O-N 3.38Å; F21-T25 PolarHBondContact O-OG1 2.7Å; F21-S108 WeakPolarHBondContact CE1-O 3.36Å; F21-A111 HydrophobicContact CD1-CB 4.14Å; F21-A111 HydrophobicContact CE1-CB 3.74Å; F21-L112 HydrophobicContact CE1-CB 4.24Å; F21-L112 HydrophobicContact CZ-CB 4.24Å; F21-L112 HydrophobicContact CZ-CD1 4.3Å; F21-Q115 HydrophobicContact CE2-CG 4.4Å; F21-Q115 HydrophobicContact CZ-CG 4.22Å
22V93.8Very high92Very high21 Ų2159.2 Ų59.213%0.12731%0.311CS..Hα-helixtrans-67.9-37.6178.9178.50000111N18 F19 T25 G26 C107 A111 L170N18-V22 VanDerWaalsContact O-CG2 3.26Å; N18-V22 WeakPolarHBondContact O-CG2 3.3Å; N18-V22 PolarHBondContact O-N 3.4Å; F19-V22 PolarHBondContact O-N 3.02Å; V22-T25 PolarHBondContact O-N 3.33Å; V22-G26 PolarHBondContact O-N 3.46Å; V22-C107 HydrophobicContact CG2-CB 4.01Å; V22-A111 HydrophobicContact CB-CB 4.41Å; V22-A111 HydrophobicContact CG1-CB 4.47Å; V22-A111 HydrophobicContact CG2-CB 3.87Å; V22-L170 HydrophobicContact CB-CD1 4.42Å; V22-L170 HydrophobicContact CB-CD2 4.06Å; V22-L170 HydrophobicContact CG1-CD1 4.43Å; V22-L170 HydrophobicContact CG1-CD2 3.51Å; V22-L170 HydrophobicContact CG2-CD2 4.46Å
23F92Very high92.2Very high116 Ų11656.4 Ų56.451%0.50929%0.291SS..Hα-helixtrans-63.9-48176.4-176.1-94.1000112.1F19 V20 F21 T25 G26 A27 Y166F19-F23 VanDerWaalsContact O-CB 3.23Å; F19-F23 WeakPolarHBondContact O-CB 3.25Å; F19-F23 PolarHBondContact O-N 3.44Å; V20-F23 PolarHBondContact O-N 3.22Å; F21-F23 VanDerWaalsContact C-N 3.35Å; F23-T25 VanDerWaalsContact C-N 3.3Å; F23-T25 PolarHBondContact O-N 3.09Å; F23-G26 PolarHBondContact O-N 3.36Å; F23-G26 VanDerWaalsContact O-N 3.15Å; F23-A27 PolarHBondContact O-N 3.5Å; F23-Y166 AromaticContact CD2-CE1 3.93Å; F23-Y166 HydrophobicContact CD2-CE1 3.93Å
24I94Very high92Very high82 Ų8252 Ų5242%0.42127%0.269SS..Hα-helixtrans-58.2-46.2175.3-70168.4000109.9V20 G26 A27 D28V20-I24 HydrophobicContact CG1-CD1 3.63Å; V20-I24 HydrophobicContact CG1-CG1 4.35Å; V20-I24 WeakPolarHBondContact O-CB 3.41Å; V20-I24 VanDerWaalsContact O-CG1 3.25Å; V20-I24 WeakPolarHBondContact O-CG1 3.4Å; V20-I24 PolarHBondContact O-N 3.46Å; I24-G26 VanDerWaalsContact C-N 3.29Å; I24-G26 PolarHBondContact O-N 2.99Å; I24-A27 WeakPolarHBondContact O-CB 3.34Å; I24-A27 PolarHBondContact O-N 2.93Å; I24-D28 PolarHBondContact O-N 3.3Å
25T95.5Very high91.3Very high2 Ų251.9 Ų51.91%0.01227%0.266CS..Hα-helixtrans-60-38.5177.4-58.60000112.6F21 V22 F23 D28 F29 A111 L114 Q115 M118F21-T25 WeakPolarHBondContact O-CB 3.42Å; F21-T25 PolarHBondContact O-N 3.38Å; F21-T25 PolarHBondContact O-OG1 2.7Å; V22-T25 PolarHBondContact O-N 3.33Å; F23-T25 VanDerWaalsContact C-N 3.3Å; F23-T25 PolarHBondContact O-N 3.09Å; T25-D28 PolarHBondContact O-N 3.3Å; T25-F29 WeakPolarHBondContact O-CB 3.31Å; T25-F29 PolarHBondContact O-N 3.01Å; T25-A111 HydrophobicContact CG2-CB 3.93Å; T25-A111 WeakPolarHBondContact CG2-O 3.26Å; T25-L114 HydrophobicContact CG2-CB 4.3Å; T25-L114 HydrophobicContact CG2-CD2 4.12Å; T25-L114 HydrophobicContact CG2-CG 4.37Å; T25-Q115 VanDerWaalsContact CA-NE2 3.33Å; T25-Q115 HydrophobicContact CG2-CG 3.74Å; T25-Q115 WeakPolarHBondContact OG1-CG 3.25Å; T25-Q115 PolarHBondContact OG1-NE2 3.49Å; T25-M118 HydrophobicContact CG2-CE 4.04Å
26G92.8Very high90.4Very high33 Ų3356.8 Ų56.834%0.3428%0.283SS..Hα-helixtrans-60.7-44.6172.700000112.2V22 F23 I24 F29 V30V22-G26 PolarHBondContact O-N 3.46Å; F23-G26 PolarHBondContact O-N 3.36Å; F23-G26 VanDerWaalsContact O-N 3.15Å; I24-G26 VanDerWaalsContact C-N 3.29Å; I24-G26 PolarHBondContact O-N 2.99Å; G26-F29 WeakPolarHBondContact O-CB 3.48Å; G26-F29 PolarHBondContact O-N 3.01Å; G26-V30 WeakPolarHBondContact O-CG2 3.2Å; G26-V30 PolarHBondContact O-N 3.5Å
27A93Very high89.1Confident40 Ų4052.1 Ų52.133%0.33126%0.26SS..Hα-helixtrans-65.1-38.9176.500000112.5F23 I24 F29 V30 R31F23-A27 PolarHBondContact O-N 3.5Å; I24-A27 WeakPolarHBondContact O-CB 3.34Å; I24-A27 PolarHBondContact O-N 2.93Å; A27-F29 VanDerWaalsContact C-N 3.31Å; A27-V30 PolarHBondContact O-N 2.83Å; A27-R31 PolarHBondContact O-N 3.12Å; A27-R31 VanDerWaalsContact O-N 3.09Å
28D94.1Very high87.7Confident53 Ų5347.1 Ų47.128%0.28323%0.234SC..Hα-helixtrans-64.7-38.1174.5-67.7-24.6000111.2I24 T25 R31 F32 Q115 M118I24-D28 PolarHBondContact O-N 3.3Å; T25-D28 PolarHBondContact O-N 3.3Å; D28-R31 WeakPolarHBondContact O-CB 3.42Å; D28-R31 PolarHBondContact O-N 3.34Å; D28-F32 VanDerWaalsContact O-CB 3.31Å; D28-F32 WeakPolarHBondContact O-CB 3.49Å; D28-F32 PolarHBondContact O-N 3.34Å; D28-Q115 PolarHBondContact OD2-NE2 2.98Å; D28-M118 HydrophobicContact CB-CE 3.9Å; D28-M118 HydrophobicContact CB-SD 4.43Å
29F94.1Very high86.1Confident29 Ų2951.9 Ų51.913%0.12725%0.252CS..Hα-helixtrans-64.4-41.6175.6-176-114.3000112.9T25 G26 A27 R31 F32 I33 L114 M118 W154 L208T25-F29 WeakPolarHBondContact O-CB 3.31Å; T25-F29 PolarHBondContact O-N 3.01Å; G26-F29 WeakPolarHBondContact O-CB 3.48Å; G26-F29 PolarHBondContact O-N 3.01Å; A27-F29 VanDerWaalsContact C-N 3.31Å; F29-R31 VanDerWaalsContact C-N 3.31Å; F29-R31 PolarHBondContact O-N 3.17Å; F29-F32 HydrophobicContact CD2-CD1 4.48Å; F29-F32 PolarHBondContact O-N 3.39Å; F29-I33 HydrophobicContact CD1-CD1 4.32Å; F29-I33 HydrophobicContact CD2-CD1 4.06Å; F29-I33 HydrophobicContact CD2-CG1 4.27Å; F29-I33 HydrophobicContact CE1-CD1 3.63Å; F29-I33 HydrophobicContact CE2-CD1 3.32Å; F29-I33 HydrophobicContact CE2-CG1 3.93Å; F29-I33 HydrophobicContact CZ-CD1 3.09Å; F29-I33 HydrophobicContact CZ-CG1 4.14Å; F29-I33 PolarHBondContact O-N 3.26Å; F29-L114 HydrophobicContact CB-CD2 4.2Å; F29-L114 HydrophobicContact CD2-CD1 3.84Å; F29-L114 HydrophobicContact CD2-CD2 3.89Å; F29-L114 HydrophobicContact CD2-CG 4.17Å; F29-L114 HydrophobicContact CE2-CD1 3.87Å; F29-L114 HydrophobicContact CE2-CD2 4.37Å; F29-L114 HydrophobicContact CG-CD2 4.05Å; F29-M118 WeakPolarHBondContact CA-SD 3.44Å; F29-M118 HydrophobicContact CB-SD 3.87Å; F29-M118 HydrophobicContact CD2-SD 3.96Å; F29-M118 HydrophobicContact CG-SD 4.44Å; F29-W154 AromaticContact CD1-CH2 3.85Å; F29-W154 HydrophobicContact CD1-CH2 3.85Å; F29-W154 HydrophobicContact CE1-CH2 4.03Å; F29-L208 HydrophobicContact CE1-CD1 4.08Å; F29-L208 HydrophobicContact CZ-CD1 4.42Å
30V92.8Very high84.7Confident31 Ų3152.5 Ų52.519%0.18826%0.255CS..Hα-helixtrans-57.7-46.5171.9174.20000110.4G26 A27 S34 F35 W154G26-V30 WeakPolarHBondContact O-CG2 3.2Å; G26-V30 PolarHBondContact O-N 3.5Å; A27-V30 PolarHBondContact O-N 2.83Å; V30-S34 WeakPolarHBondContact O-CB 3.22Å; V30-S34 PolarHBondContact O-N 3.14Å; V30-F35 HydrophobicContact CG1-CD2 4.27Å; V30-F35 HydrophobicContact CG1-CE2 3.91Å; V30-W154 HydrophobicContact CB-CD2 4.47Å; V30-W154 HydrophobicContact CB-CZ2 4.21Å; V30-W154 HydrophobicContact CG1-CD2 4.15Å; V30-W154 HydrophobicContact CG1-CG 4.24Å; V30-W154 HydrophobicContact CG1-CZ2 4.41Å; V30-W154 HydrophobicContact CG2-CD2 3.75Å; V30-W154 HydrophobicContact CG2-CE3 3.63Å; V30-W154 HydrophobicContact CG2-CH2 3.73Å; V30-W154 HydrophobicContact CG2-CZ2 3.84Å; V30-W154 HydrophobicContact CG2-CZ3 3.63Å
31R90.3Very high83.1Confident158 Ų15851.2 Ų51.260%0.59625%0.246SC*.Iπ-helixtrans-62.1-45.3175.7-80.5-168.5174.298.80.2112.5A27 D28 F29 F35 R36A27-R31 PolarHBondContact O-N 3.12Å; A27-R31 VanDerWaalsContact O-N 3.09Å; D28-R31 WeakPolarHBondContact O-CB 3.42Å; D28-R31 PolarHBondContact O-N 3.34Å; F29-R31 VanDerWaalsContact C-N 3.31Å; F29-R31 PolarHBondContact O-N 3.17Å; R31-F35 HydrophobicContact CG-CD2 4.17Å; R31-F35 HydrophobicContact CG-CG 4.43Å; R31-F35 WeakPolarHBondContact O-CB 3.41Å; R31-F35 PolarHBondContact O-N 3.28Å; R31-F35 VanDerWaalsContact O-N 3.11Å; R31-R36 PolarHBondContact O-N 3.07Å; R31-R36 VanDerWaalsContact O-N 3.1Å
32F91.2Very high81.3Confident16 Ų1652.8 Ų52.87%0.0726%0.257CS..Iπ-helixtrans-61.2-46.3-178.2173.9-104.6000111.5D28 F29 L117 M118 W121 R222 L225D28-F32 VanDerWaalsContact O-CB 3.31Å; D28-F32 WeakPolarHBondContact O-CB 3.49Å; D28-F32 PolarHBondContact O-N 3.34Å; F29-F32 HydrophobicContact CD2-CD1 4.48Å; F29-F32 PolarHBondContact O-N 3.39Å; F32-L117 HydrophobicContact CE1-CD2 4.16Å; F32-L117 HydrophobicContact CZ-CD2 4.29Å; F32-M118 HydrophobicContact CB-CG 4.06Å; F32-M118 HydrophobicContact CB-SD 3.73Å; F32-M118 HydrophobicContact CD1-CG 3.84Å; F32-M118 HydrophobicContact CD1-SD 4.32Å; F32-M118 HydrophobicContact CD2-CB 4.14Å; F32-M118 HydrophobicContact CD2-CG 4.12Å; F32-M118 HydrophobicContact CE1-CG 4.31Å; F32-M118 HydrophobicContact CG-CB 4.24Å; F32-M118 HydrophobicContact CG-CG 3.74Å; F32-M118 HydrophobicContact CG-SD 4.08Å; F32-W121 HydrophobicContact CE2-CB 3.81Å; F32-W121 AromaticContact CE2-CD1 3.98Å; F32-W121 HydrophobicContact CE2-CD2 4.4Å; F32-W121 AromaticContact CE2-CG 3.75Å; F32-W121 HydrophobicContact CE2-CG 3.75Å; F32-W121 HydrophobicContact CZ-CB 4.01Å; F32-W121 AromaticContact CZ-CD1 3.92Å; F32-W121 AromaticContact CZ-CD2 3.76Å; F32-W121 HydrophobicContact CZ-CD2 3.76Å; F32-W121 HydrophobicContact CZ-CE3 4.29Å; F32-W121 AromaticContact CZ-CG 3.58Å; F32-W121 HydrophobicContact CZ-CG 3.58Å; F32-R222 VanDerWaalsContact O-CZ 3.3Å; F32-R222 PolarHBondContact O-NH1 3.49Å; F32-R222 VanDerWaalsContact O-NH1 3.12Å; F32-R222 PolarHBondContact O-NH2 3.26Å; F32-L225 HydrophobicContact CE1-CD1 4.48Å; F32-L225 HydrophobicContact CE1-CD2 3.63Å; F32-L225 HydrophobicContact CZ-CD2 4.21Å
33I90.2Very high79.4Confident3 Ų355.9 Ų55.92%0.01528%0.275CS..Iπ-helixtrans-80.6-50.2-178.1-62.8-173.5000112.1F29 V211 L212F29-I33 HydrophobicContact CD1-CD1 4.32Å; F29-I33 HydrophobicContact CD2-CD1 4.06Å; F29-I33 HydrophobicContact CD2-CG1 4.27Å; F29-I33 HydrophobicContact CE1-CD1 3.63Å; F29-I33 HydrophobicContact CE2-CD1 3.32Å; F29-I33 HydrophobicContact CE2-CG1 3.93Å; F29-I33 HydrophobicContact CZ-CD1 3.09Å; F29-I33 HydrophobicContact CZ-CG1 4.14Å; F29-I33 PolarHBondContact O-N 3.26Å; I33-V211 HydrophobicContact CB-CG1 4.47Å; I33-V211 HydrophobicContact CG2-CG1 3.62Å; I33-L212 HydrophobicContact CD1-CD2 3.75Å; I33-L212 HydrophobicContact CG2-CD2 4.41Å
34S86Confident77.5Confident4 Ų453.6 Ų53.63%0.02829%0.285CS..Iπ-helixtrans-92.8-47-168.3-59.10000113.5V30 I38 H150 W154 V211V30-S34 WeakPolarHBondContact O-CB 3.22Å; V30-S34 PolarHBondContact O-N 3.14Å; S34-I38 WeakPolarHBondContact O-CB 3.25Å; S34-I38 WeakPolarHBondContact O-CD1 3.45Å; S34-I38 WeakPolarHBondContact O-CG1 3.41Å; S34-I38 PolarHBondContact O-N 3.03Å; S34-H150 WeakPolarHBondContact CB-ND1 3.44Å; S34-H150 PolarHBondContact OG-ND1 2.93Å; S34-H150 VanDerWaalsContact OG-ND1 3.1Å; S34-W154 PolarHBondContact OG-NE1 3.35Å; S34-V211 WeakPolarHBondContact OG-CG1 3.43Å
35F75.1Confident75.4Confident77 Ų7756.1 Ų56.134%0.33830%0.295SS..Iπ-helixtrans-75.5-44.7-170.2-74.2-95.8000112.2V30 R31 A37 I38 Y39 F147V30-F35 HydrophobicContact CG1-CD2 4.27Å; V30-F35 HydrophobicContact CG1-CE2 3.91Å; R31-F35 HydrophobicContact CG-CD2 4.17Å; R31-F35 HydrophobicContact CG-CG 4.43Å; R31-F35 WeakPolarHBondContact O-CB 3.41Å; R31-F35 PolarHBondContact O-N 3.28Å; R31-F35 VanDerWaalsContact O-N 3.11Å; F35-A37 VanDerWaalsContact C-N 3.29Å; F35-A37 PolarHBondContact O-N 3.19Å; F35-I38 PolarHBondContact O-N 3.43Å; F35-Y39 HydrophobicContact CB-CD2 4.24Å; F35-Y39 AromaticContact CD1-CD2 3.8Å; F35-Y39 HydrophobicContact CD1-CD2 3.8Å; F35-Y39 AromaticContact CD1-CE2 3.32Å; F35-Y39 HydrophobicContact CD1-CE2 3.32Å; F35-Y39 AromaticContact CE1-CE2 3.82Å; F35-Y39 HydrophobicContact CE1-CE2 3.82Å; F35-Y39 HydrophobicContact CG-CD2 4.49Å; F35-Y39 HydrophobicContact CG-CE2 4.37Å; F35-Y39 WeakPolarHBondContact O-CB 3.35Å; F35-Y39 WeakPolarHBondContact O-CD2 3.21Å; F35-Y39 PolarHBondContact O-N 3.49Å; F35-F147 HydrophobicContact CE1-CE2 4.41Å
36R70.1Confident73.3Confident106 Ų10660.5 Ų60.540%0.433%0.326SS..Hα-helixtrans-58.1-40.4-179.6-172.6178.1-175.5-171.95.9112.6R31 H40R31-R36 PolarHBondContact O-N 3.07Å; R31-R36 VanDerWaalsContact O-N 3.1Å; R36-H40 WeakPolarHBondContact O-CB 3.07Å
37A62.9Low71.8Confident10 Ų1063 Ų638%0.08334%0.336CS..Hα-helixtrans-78.8-30.9-176.900000113.4F35 L215F35-A37 VanDerWaalsContact C-N 3.29Å; F35-A37 PolarHBondContact O-N 3.19Å; A37-L215 HydrophobicContact CB-CD1 4.42Å; A37-L215 HydrophobicContact CB-CD2 3.54Å
38I61.8Low70.5Confident2 Ų262.9 Ų62.91%0.0133%0.329CS..Hα-helixtrans-84.4-44.1-178.9-65.4171.8000111.3S34 F35 H40 N41 I42 F147 H150S34-I38 WeakPolarHBondContact O-CB 3.25Å; S34-I38 WeakPolarHBondContact O-CD1 3.45Å; S34-I38 WeakPolarHBondContact O-CG1 3.41Å; S34-I38 PolarHBondContact O-N 3.03Å; F35-I38 PolarHBondContact O-N 3.43Å; I38-H40 PolarHBondContact O-N 3.4Å; I38-N41 PolarHBondContact O-N 3.3Å; I38-I42 HydrophobicContact CG2-CD1 3.92Å; I38-F147 HydrophobicContact CD1-CB 4.2Å; I38-F147 HydrophobicContact CD1-CD2 4.4Å; I38-F147 HydrophobicContact CG2-CB 4.21Å; I38-F147 HydrophobicContact CG2-CD2 4.33Å; I38-H150 HydrophobicContact CD1-CB 4.43Å
39Y59.8Low69.5Low114 Ų11460.5 Ų60.545%0.44732%0.317SS..Hα-helixtrans-70.3-34.4-174.2-87.6-98.5000113.5F35 N41 I42 T43F35-Y39 HydrophobicContact CB-CD2 4.24Å; F35-Y39 AromaticContact CD1-CD2 3.8Å; F35-Y39 HydrophobicContact CD1-CD2 3.8Å; F35-Y39 AromaticContact CD1-CE2 3.32Å; F35-Y39 HydrophobicContact CD1-CE2 3.32Å; F35-Y39 AromaticContact CE1-CE2 3.82Å; F35-Y39 HydrophobicContact CE1-CE2 3.82Å; F35-Y39 HydrophobicContact CG-CD2 4.49Å; F35-Y39 HydrophobicContact CG-CE2 4.37Å; F35-Y39 WeakPolarHBondContact O-CB 3.35Å; F35-Y39 WeakPolarHBondContact O-CD2 3.21Å; F35-Y39 PolarHBondContact O-N 3.49Å; Y39-N41 PolarHBondContact O-N 2.86Å; Y39-N41 VanDerWaalsContact O-N 3.16Å; Y39-I42 PolarHBondContact O-N 2.98Å; Y39-T43 PolarHBondContact O-N 2.82Å; Y39-T43 PolarHBondContact O-OG1 3.18Å; Y39-T43 VanDerWaalsContact O-OG1 3.14Å
40H62.4Low68.7Low62 Ų6262.7 Ų62.729%0.28733%0.327SS..Hα-helixtrans-62.9-23.5179.3-149.3-44.1000112.8R36 I38 L48R36-H40 WeakPolarHBondContact O-CB 3.07Å; I38-H40 PolarHBondContact O-N 3.4Å; H40-L48 HydrophobicContact CB-CD1 4.36Å; H40-L48 HydrophobicContact CB-CD2 3.84Å; H40-L48 HydrophobicContact CB-CG 4.35Å
41N57.5Low67.8Low43 Ų4365 Ų6523%0.2334%0.339CS..Hα-helixtrans-84.4-25.7174.6-158.429.1000112.7I38 Y39 P143 P216I38-N41 PolarHBondContact O-N 3.3Å; Y39-N41 PolarHBondContact O-N 2.86Å; Y39-N41 VanDerWaalsContact O-N 3.16Å; N41-P143 VanDerWaalsContact ND2-CG 3.28Å; N41-P143 WeakPolarHBondContact ND2-CG 3.36Å; N41-P216 HydrophobicContact CB-CG 4.47Å
42I57Low67.2Low107 Ų10762.7 Ų62.755%0.54935%0.347SS..Hα-helixtrans-83-37.2-179.6-61.8169.8000111.1I38 Y39 G44I38-I42 HydrophobicContact CG2-CD1 3.92Å; Y39-I42 PolarHBondContact O-N 2.98Å; I42-G44 VanDerWaalsContact C-N 3.28Å; I42-G44 PolarHBondContact O-N 3.21Å
43T55.7Low66.9Low85 Ų8563.6 Ų63.652%0.52135%0.353SS..SBendtrans-77.6-11-177.452.70000113.9Y39 E45Y39-T43 PolarHBondContact O-N 2.82Å; Y39-T43 PolarHBondContact O-OG1 3.18Å; Y39-T43 VanDerWaalsContact O-OG1 3.14Å; T43-E45 PolarHBondContact O-N 3.15Å
44G51.6Low66.7Low68 Ų6867 Ų6770%0.70138%0.376SS*.  trans66.513.5179.200000114.3I42I42-G44 VanDerWaalsContact C-N 3.28Å; I42-G44 PolarHBondContact O-N 3.21Å
45E49.6Very low66.8Low136 Ų13671 Ų7164%0.63639%0.39SS*.  trans-68.6157.8172.8-67.5-153.8159.900110.9T43T43-E45 PolarHBondContact O-N 3.15Å
46S52Low67.5Low94 Ų9471.2 Ų71.266%0.65740%0.401SS*.SBendtrans-18.9138-174-59.50000116.2L48S46-L48 PolarHBondContact O-N 2.99Å; S46-L48 VanDerWaalsContact O-N 3.1Å
47P60.6Low68.4Low85 Ų8570.1 Ų70.155%0.55241%0.406SS*.  trans-52.7123.7-175.422.8-32.8000110.7C49P47-C49 PolarHBondContact O-N 3.15Å
48L66.2Low69.6Low38 Ų3869.8 Ų69.820%0.19940%0.403CS..SBendtrans-53.9-21.9179.4-79.3166000113.7H40 S46 A217H40-L48 HydrophobicContact CB-CD1 4.36Å; H40-L48 HydrophobicContact CB-CD2 3.84Å; H40-L48 HydrophobicContact CB-CG 4.35Å; S46-L48 PolarHBondContact O-N 2.99Å; S46-L48 VanDerWaalsContact O-N 3.1Å; L48-A217 HydrophobicContact CD1-CB 4.16Å
49C73.4Confident70.9Confident2 Ų274.3 Ų74.31%0.01443%0.427CS..SBendtrans-149.6150.4-177.9-66.40000110.7P47 D51 A127 C129P47-C49 PolarHBondContact O-N 3.15Å; C49-D51 PolarHBondContact O-N 3.06Å; C49-A127 WeakPolarHBondContact CB-O 3.32Å; C49-C129 HydrophobicContact CB-CB 3.61Å; C49-C129 VanDerWaalsContact CB-N 3.29Å; C49-C129 WeakPolarHBondContact CB-SG 3.49Å; C49-C129 WeakPolarHBondContact SG-CA 3.41Å; C49-C129 WeakPolarHBondContact SG-CB 3.5Å; C49-C129 PolarHBondContact SG-N 2.78Å; C49-C129 VanDerWaalsContact SG-N 3.37Å; C49-C129 CovalentContact SG-SG 2.03Å; C49-C129 PolarHBondContact SG-SG 3.03Å
50Q76.6Confident72.4Confident76 Ų7679.4 Ų79.436%0.35545%0.445SS..  trans-90.485.7169.6-73.517915.100111.2S52 V53 T125 E126 A127Q50-S52 PolarHBondContact O-N 3.04Å; Q50-S52 VanDerWaalsContact O-N 3.07Å; Q50-V53 HydrophobicContact CB-CG2 4.15Å; Q50-V53 PolarHBondContact O-N 2.92Å; Q50-T125 PolarHBondContact N-O 3.33Å; Q50-E126 PolarHBondContact NE2-OE2 3.04Å; Q50-A127 PolarHBondContact N-O 3.48Å
51D73.2Confident73.8Confident80 Ų8079.5 Ų79.543%0.42845%0.448SS..THydrogen-bonded Turntrans-66.5-10.3-177.4-60.8-29.8000113.6C49 C129 R134C49-D51 PolarHBondContact O-N 3.06Å; D51-C129 PolarHBondContact OD1-N 3.32Å; D51-R134 IonicContact OD1-NH2 2.71Å; D51-R134 IonicContact OD2-CZ 2.81Å; D51-R134 VanDerWaalsContact OD2-CZ 3.31Å; D51-R134 IonicContact OD2-NE 3.58Å; D51-R134 PolarHBondContact OD2-NE 3.32Å; D51-R134 IonicContact OD2-NH2 3.74Å; D51-R134 PolarHBondContact OD2-NH2 3.37Å
52S77.9Confident75.5Confident109 Ų10982.2 Ų82.276%0.76247%0.47SS*.THydrogen-bonded Turntrans-80.3-16.2177.352.30000114.3Q50Q50-S52 PolarHBondContact O-N 3.04Å; Q50-S52 VanDerWaalsContact O-N 3.07Å
53V84.5Confident77.1Confident34 Ų3479.3 Ų79.321%0.20646%0.46CS..SBendtrans-92.5126.3-176.7-177.70000109.7Q50 V57 A58 P128Q50-V53 HydrophobicContact CB-CG2 4.15Å; Q50-V53 PolarHBondContact O-N 2.92Å; V53-V57 HydrophobicContact CG1-CB 4.09Å; V53-V57 HydrophobicContact CG1-CG1 4.11Å; V53-A58 HydrophobicContact CG1-CB 4.12Å; V53-P128 WeakPolarHBondContact O-CG 3.3Å
54P87.9Confident78.9Confident75 Ų7575.5 Ų75.549%0.48744%0.436SS..  trans-66.8142.2175.325.4-31.6000111.3S56 V57 A58P54-S56 PolarHBondContact O-N 3.44Å; P54-S56 VanDerWaalsContact O-N 3.08Å; P54-V57 HydrophobicContact CG-CB 4.16Å; P54-V57 HydrophobicContact CG-CG2 3.8Å; P54-V57 PolarHBondContact O-N 3.27Å; P54-A58 PolarHBondContact O-N 3.41Å; P54-A58 VanDerWaalsContact O-N 3.11Å
55W87.9Confident80.9Confident88 Ų8877 Ų7733%0.33343%0.428SS..Hα-helixtrans-50.7-36.8-179.5-80.8104.8000114V57 A58 L59 A127 P128 L220W55-V57 VanDerWaalsContact C-N 3.25Å; W55-V57 PolarHBondContact O-N 2.95Å; W55-A58 PolarHBondContact O-N 3.45Å; W55-L59 HydrophobicContact CE3-CD2 4.48Å; W55-L59 HydrophobicContact CE3-CG 4.32Å; W55-L59 WeakPolarHBondContact O-CB 3.36Å; W55-L59 VanDerWaalsContact O-CG 3.23Å; W55-L59 WeakPolarHBondContact O-CG 3.4Å; W55-L59 PolarHBondContact O-N 2.96Å; W55-A127 HydrophobicContact CZ3-CB 4.41Å; W55-P128 HydrophobicContact CD2-CG 3.59Å; W55-P128 HydrophobicContact CE3-CG 4Å; W55-P128 HydrophobicContact CG-CG 3.95Å; W55-P128 HydrophobicContact CH2-CG 4.28Å; W55-P128 WeakPolarHBondContact CH2-O 3.29Å; W55-P128 HydrophobicContact CZ2-CB 4.46Å; W55-P128 HydrophobicContact CZ2-CG 3.92Å; W55-P128 VanDerWaalsContact CZ2-O 3.23Å; W55-P128 WeakPolarHBondContact CZ2-O 3.22Å; W55-P128 HydrophobicContact CZ3-CG 4.31Å; W55-L220 HydrophobicContact CH2-CB 4.37Å; W55-L220 HydrophobicContact CH2-CD1 4.28Å; W55-L220 HydrophobicContact CZ3-CB 4.42Å; W55-L220 HydrophobicContact CZ3-CD1 4.04Å; W55-L220 HydrophobicContact CZ3-CD2 4.28Å; W55-L220 HydrophobicContact CZ3-CG 4.48Å
56S88.3Confident83Confident81 Ų8177.1 Ų77.157%0.56643%0.426SS*.Hα-helixtrans-64.4-28.6179.757.10000113.8P54 R60P54-S56 PolarHBondContact O-N 3.44Å; P54-S56 VanDerWaalsContact O-N 3.08Å; S56-R60 WeakPolarHBondContact O-CD 3.41Å; S56-R60 WeakPolarHBondContact O-CG 3.44Å
57V90.1Very high85Confident84 Ų8473.5 Ų73.551%0.50940%0.401SS..Hα-helixtrans-85.1-46.8176.21760000109.6V53 P54 W55 L59 R60 D61V53-V57 HydrophobicContact CG1-CB 4.09Å; V53-V57 HydrophobicContact CG1-CG1 4.11Å; P54-V57 HydrophobicContact CG-CB 4.16Å; P54-V57 HydrophobicContact CG-CG2 3.8Å; P54-V57 PolarHBondContact O-N 3.27Å; W55-V57 VanDerWaalsContact C-N 3.25Å; W55-V57 PolarHBondContact O-N 2.95Å; V57-L59 VanDerWaalsContact C-N 3.3Å; V57-L59 PolarHBondContact O-N 3.48Å; V57-R60 PolarHBondContact O-N 3.48Å; V57-D61 PolarHBondContact O-N 3.38Å
58A88.6Confident86.6Confident2 Ų270.5 Ų70.52%0.01738%0.381CS..Hα-helixtrans-57-41.8178.400000112.5V53 P54 W55 R60 D61 V64 A127V53-A58 HydrophobicContact CG1-CB 4.12Å; P54-A58 PolarHBondContact O-N 3.41Å; P54-A58 VanDerWaalsContact O-N 3.11Å; W55-A58 PolarHBondContact O-N 3.45Å; A58-R60 PolarHBondContact O-N 2.94Å; A58-D61 WeakPolarHBondContact O-CB 3.49Å; A58-D61 PolarHBondContact O-N 2.96Å; A58-D61 VanDerWaalsContact O-N 3.14Å; A58-V64 WeakPolarHBondContact O-CB 3.34Å; A58-A127 HydrophobicContact CB-CB 4.24Å
59L88Confident88.1Confident97 Ų9773 Ų7351%0.50840%0.398SS..THydrogen-bonded Turntrans-72.3-11178.8-67.6173.9000114.3W55 V57 L220W55-L59 HydrophobicContact CE3-CD2 4.48Å; W55-L59 HydrophobicContact CE3-CG 4.32Å; W55-L59 WeakPolarHBondContact O-CB 3.36Å; W55-L59 VanDerWaalsContact O-CG 3.23Å; W55-L59 WeakPolarHBondContact O-CG 3.4Å; W55-L59 PolarHBondContact O-N 2.96Å; V57-L59 VanDerWaalsContact C-N 3.3Å; V57-L59 PolarHBondContact O-N 3.48Å; L59-L220 HydrophobicContact CD2-CD2 4.27Å
60R91.4Very high89.2Confident221 Ų22175.1 Ų75.183%0.83441%0.41SS*.THydrogen-bonded Turntrans-97.9-8.3172.9-69.1178.8-178.3-141.10.1112.4S56 V57 A58 S62S56-R60 WeakPolarHBondContact O-CD 3.41Å; S56-R60 WeakPolarHBondContact O-CG 3.44Å; V57-R60 PolarHBondContact O-N 3.48Å; A58-R60 PolarHBondContact O-N 2.94Å; R60-S62 PolarHBondContact O-N 2.96Å
61D92.5Very high90.1Very high64 Ų6471.5 Ų71.534%0.34239%0.393SS..  trans-68.2129.3178-164.7-56.5000110.1V57 A58 S63 V64 L65V57-D61 PolarHBondContact O-N 3.38Å; A58-D61 WeakPolarHBondContact O-CB 3.49Å; A58-D61 PolarHBondContact O-N 2.96Å; A58-D61 VanDerWaalsContact O-N 3.14Å; D61-S63 PolarHBondContact O-N 2.82Å; D61-S63 WeakPolarHBondContact OD1-CB 3.11Å; D61-S63 PolarHBondContact OD1-N 3.46Å; D61-S63 PolarHBondContact OD1-OG 3.5Å; D61-V64 HydrophobicContact CB-CB 4.17Å; D61-V64 HydrophobicContact CB-CG2 3.94Å; D61-V64 PolarHBondContact O-N 2.79Å; D61-L65 WeakPolarHBondContact O-CB 3.28Å; D61-L65 PolarHBondContact O-N 3.33Å
62S92.7Very high91.2Very high100 Ų10071.3 Ų71.370%0.69939%0.392SS*.Hα-helixtrans-61.3-32.2179.666.20000113.2R60 K66R60-S62 PolarHBondContact O-N 2.96Å; S62-K66 VanDerWaalsContact O-CB 3.26Å; S62-K66 WeakPolarHBondContact O-CB 3.47Å; S62-K66 PolarHBondContact O-N 3.38Å
63S91.2Very high92.2Very high47 Ų4768 Ų6833%0.32938%0.375SS..Hα-helixtrans-71.3-46.7178.966.50000111.2D61 K66 S67D61-S63 PolarHBondContact O-N 2.82Å; D61-S63 WeakPolarHBondContact OD1-CB 3.11Å; D61-S63 PolarHBondContact OD1-N 3.46Å; D61-S63 PolarHBondContact OD1-OG 3.5Å; S63-K66 PolarHBondContact O-N 2.86Å; S63-S67 PolarHBondContact O-N 3.03Å; S63-S67 PolarHBondContact O-OG 3.27Å
64V91.9Very high92.8Very high4 Ų467.2 Ų67.22%0.02437%0.37CS..Hα-helixtrans-60.7-48.5176175.10000110.2A58 D61 K66 S67 V68 V124 E126 A127 L220A58-V64 WeakPolarHBondContact O-CB 3.34Å; D61-V64 HydrophobicContact CB-CB 4.17Å; D61-V64 HydrophobicContact CB-CG2 3.94Å; D61-V64 PolarHBondContact O-N 2.79Å; V64-K66 VanDerWaalsContact C-N 3.32Å; V64-K66 PolarHBondContact O-N 3.46Å; V64-S67 PolarHBondContact O-N 3.33Å; V64-V68 HydrophobicContact CG1-CG2 4.35Å; V64-V68 VanDerWaalsContact O-CG2 3.29Å; V64-V68 WeakPolarHBondContact O-CG2 3.4Å; V64-V68 PolarHBondContact O-N 2.88Å; V64-V124 HydrophobicContact CB-CG1 4.47Å; V64-V124 HydrophobicContact CG1-CG1 3.95Å; V64-V124 HydrophobicContact CG2-CG1 4.15Å; V64-E126 HydrophobicContact CG2-CB 3.93Å; V64-A127 HydrophobicContact CG1-CB 4.49Å; V64-A127 HydrophobicContact CG2-CB 4.44Å; V64-L220 HydrophobicContact CG1-CD2 3.98Å
65L93.6Very high93.2Very high101 Ų10163.8 Ų63.853%0.52935%0.347SS..Hα-helixtrans-62-40.8179.9-174.663.5000111.8D61 V68 V69D61-L65 WeakPolarHBondContact O-CB 3.28Å; D61-L65 PolarHBondContact O-N 3.33Å; L65-V68 PolarHBondContact O-N 3.23Å; L65-V69 HydrophobicContact CD1-CG2 4.39Å; L65-V69 HydrophobicContact CG-CG2 4.49Å; L65-V69 WeakPolarHBondContact O-CB 3.47Å; L65-V69 VanDerWaalsContact O-CG2 3.27Å; L65-V69 WeakPolarHBondContact O-CG2 3.21Å; L65-V69 PolarHBondContact O-N 3.44Å
66K94.9Very high93.6Very high138 Ų13862 Ų6260%0.635%0.351SS*.Hα-helixtrans-60.3-48.9176-178.1-176.2175.6-172.80111.4S62 S63 V64 V69 V70S62-K66 VanDerWaalsContact O-CB 3.26Å; S62-K66 WeakPolarHBondContact O-CB 3.47Å; S62-K66 PolarHBondContact O-N 3.38Å; S63-K66 PolarHBondContact O-N 2.86Å; V64-K66 VanDerWaalsContact C-N 3.32Å; V64-K66 PolarHBondContact O-N 3.46Å; K66-V69 PolarHBondContact O-N 2.93Å; K66-V70 WeakPolarHBondContact O-CG2 3.3Å; K66-V70 PolarHBondContact O-N 3.34Å
67S94.1Very high93.9Very high17 Ų1762 Ų6212%0.11934%0.344CS..Hα-helixtrans-60-46.6177.7-61.80000111.9S63 V64 V69 V70 D71 Q122S63-S67 PolarHBondContact O-N 3.03Å; S63-S67 PolarHBondContact O-OG 3.27Å; V64-S67 PolarHBondContact O-N 3.33Å; S67-V69 PolarHBondContact O-N 2.86Å; S67-V70 PolarHBondContact O-N 3Å; S67-D71 WeakPolarHBondContact O-CB 3.48Å; S67-D71 VanDerWaalsContact O-CG 3.31Å; S67-D71 PolarHBondContact O-N 3.28Å; S67-Q122 VanDerWaalsContact CA-OE1 3.31Å; S67-Q122 PolarHBondContact OG-OE1 3.43Å
68V94.3Very high94.2Very high23 Ų2359.1 Ų59.114%0.13933%0.325CS..Hα-helixtrans-59.2-44.5177.6169.20000111.8V64 L65 D71 L72 L220 L224V64-V68 HydrophobicContact CG1-CG2 4.35Å; V64-V68 VanDerWaalsContact O-CG2 3.29Å; V64-V68 WeakPolarHBondContact O-CG2 3.4Å; V64-V68 PolarHBondContact O-N 2.88Å; L65-V68 PolarHBondContact O-N 3.23Å; V68-D71 PolarHBondContact O-N 3.42Å; V68-L72 HydrophobicContact CG1-CD1 3.84Å; V68-L72 HydrophobicContact CG1-CG 4.35Å; V68-L72 VanDerWaalsContact O-CB 3.3Å; V68-L72 WeakPolarHBondContact O-CB 3.4Å; V68-L72 VanDerWaalsContact O-CG 3.22Å; V68-L72 WeakPolarHBondContact O-CG 3.03Å; V68-L72 PolarHBondContact O-N 3.03Å; V68-L220 HydrophobicContact CG2-CD2 3.82Å; V68-L220 HydrophobicContact CG2-CG 4.45Å; V68-L224 HydrophobicContact CB-CD1 4.21Å; V68-L224 HydrophobicContact CG1-CD1 3.81Å; V68-L224 HydrophobicContact CG2-CD1 3.89Å
69V96.2Very high94.4Very high91 Ų9160.9 Ų60.955%0.55233%0.334SS*.Hα-helixtrans-65.3-42178.8169.20000111.3L65 K66 S67 G73L65-V69 HydrophobicContact CD1-CG2 4.39Å; L65-V69 HydrophobicContact CG-CG2 4.49Å; L65-V69 WeakPolarHBondContact O-CB 3.47Å; L65-V69 VanDerWaalsContact O-CG2 3.27Å; L65-V69 WeakPolarHBondContact O-CG2 3.21Å; L65-V69 PolarHBondContact O-N 3.44Å; K66-V69 PolarHBondContact O-N 2.93Å; S67-V69 PolarHBondContact O-N 2.86Å; V69-G73 PolarHBondContact O-N 3.37Å
70V96.9Very high94.7Very high46 Ų4660.5 Ų60.528%0.27934%0.335SS..Hα-helixtrans-63.6-49.2176.9171.60000110.6K66 S67 L72 G73 L74 Q122K66-V70 WeakPolarHBondContact O-CG2 3.3Å; K66-V70 PolarHBondContact O-N 3.34Å; S67-V70 PolarHBondContact O-N 3Å; V70-L72 PolarHBondContact O-N 3.29Å; V70-G73 CarbonylContact O-C 3.59Å; V70-G73 WeakPolarHBondContact O-CA 3.31Å; V70-G73 PolarHBondContact O-N 3.38Å; V70-G73 VanDerWaalsContact O-N 3.1Å; V70-L74 HydrophobicContact CG1-CD1 3.94Å; V70-L74 HydrophobicContact CG1-CG 4.34Å; V70-L74 WeakPolarHBondContact O-CG 3.12Å; V70-L74 PolarHBondContact O-N 2.75Å; V70-Q122 HydrophobicContact CB-CG 4.38Å; V70-Q122 HydrophobicContact CG1-CG 3.99Å
71D96.3Very high94.9Very high0 Ų051.7 Ų51.70%030%0.303CS..Hα-helixtrans-62.5-42.3-179.5-72.8-10000112S67 V68 G73 L74 L75 W121 Q122S67-D71 WeakPolarHBondContact O-CB 3.48Å; S67-D71 VanDerWaalsContact O-CG 3.31Å; S67-D71 PolarHBondContact O-N 3.28Å; V68-D71 PolarHBondContact O-N 3.42Å; D71-G73 VanDerWaalsContact C-N 3.32Å; D71-G73 PolarHBondContact O-N 3.49Å; D71-L74 PolarHBondContact O-N 3.44Å; D71-L75 WeakPolarHBondContact O-CB 3.18Å; D71-L75 VanDerWaalsContact O-CG 3.31Å; D71-L75 WeakPolarHBondContact O-CG 3.47Å; D71-L75 PolarHBondContact O-N 2.87Å; D71-W121 HydrophobicContact CB-CE3 4.35Å; D71-W121 HydrophobicContact CB-CH2 3.73Å; D71-W121 HydrophobicContact CB-CZ2 4.03Å; D71-W121 HydrophobicContact CB-CZ3 3.9Å; D71-Q122 PolarHBondContact OD1-N 3.39Å; D71-Q122 VanDerWaalsContact OD2-O 3.06Å
72L96.5Very high94.8Very high76 Ų7649.9 Ų49.940%0.39829%0.293SS..Hα-helixtrans-62.8-39.5173.1-74.6174.6000111.8V68 V70 L75 A76 L224V68-L72 HydrophobicContact CG1-CD1 3.84Å; V68-L72 HydrophobicContact CG1-CG 4.35Å; V68-L72 VanDerWaalsContact O-CB 3.3Å; V68-L72 WeakPolarHBondContact O-CB 3.4Å; V68-L72 VanDerWaalsContact O-CG 3.22Å; V68-L72 WeakPolarHBondContact O-CG 3.03Å; V68-L72 PolarHBondContact O-N 3.03Å; V70-L72 PolarHBondContact O-N 3.29Å; L72-L75 HydrophobicContact CD2-CD1 4.48Å; L72-L75 PolarHBondContact O-N 3.43Å; L72-A76 VanDerWaalsContact O-CB 3.26Å; L72-A76 WeakPolarHBondContact O-CB 3.33Å; L72-A76 PolarHBondContact O-N 2.95Å; L72-L224 HydrophobicContact CD2-CD2 4.4Å
73G97.5Very high94.7Very high39 Ų3947.2 Ų47.240%0.40227%0.274SS..Hα-helixtrans-63.1-42.6174.400000112.6V69 V70 D71 A76 L77V69-G73 PolarHBondContact O-N 3.37Å; V70-G73 CarbonylContact O-C 3.59Å; V70-G73 WeakPolarHBondContact O-CA 3.31Å; V70-G73 PolarHBondContact O-N 3.38Å; V70-G73 VanDerWaalsContact O-N 3.1Å; D71-G73 VanDerWaalsContact C-N 3.32Å; D71-G73 PolarHBondContact O-N 3.49Å; G73-A76 PolarHBondContact O-N 2.94Å; G73-L77 WeakPolarHBondContact O-CB 3.46Å; G73-L77 PolarHBondContact O-N 3.47Å
74L97.3Very high94.7Very high18 Ų1849 Ų499%0.09428%0.279CS..Hα-helixtrans-65.9-42.4176.1-68170.3000111.8V70 D71 L77 F78 I116 L117 Y120V70-L74 HydrophobicContact CG1-CD1 3.94Å; V70-L74 HydrophobicContact CG1-CG 4.34Å; V70-L74 WeakPolarHBondContact O-CG 3.12Å; V70-L74 PolarHBondContact O-N 2.75Å; D71-L74 PolarHBondContact O-N 3.44Å; L74-L77 WeakPolarHBondContact O-CB 3.17Å; L74-L77 PolarHBondContact O-N 3.32Å; L74-F78 PolarHBondContact O-N 3.3Å; L74-I116 HydrophobicContact CD2-CG2 4.03Å; L74-L117 HydrophobicContact CB-CB 4.38Å; L74-L117 HydrophobicContact CB-CG 4.16Å; L74-Y120 WeakPolarHBondContact CD1-O 3.4Å
75L96.4Very high94.5Very high3 Ų350.8 Ų50.82%0.01629%0.288CS..Hα-helixtrans-61.3-46.9173.6-76.4165.9000111.5D71 L72 L77 F78 I79 L117 W121 L225 L229D71-L75 WeakPolarHBondContact O-CB 3.18Å; D71-L75 VanDerWaalsContact O-CG 3.31Å; D71-L75 WeakPolarHBondContact O-CG 3.47Å; D71-L75 PolarHBondContact O-N 2.87Å; L72-L75 HydrophobicContact CD2-CD1 4.48Å; L72-L75 PolarHBondContact O-N 3.43Å; L75-L77 VanDerWaalsContact C-N 3.34Å; L75-L77 PolarHBondContact O-N 3.03Å; L75-F78 PolarHBondContact O-N 3.18Å; L75-I79 WeakPolarHBondContact O-CB 3.44Å; L75-I79 VanDerWaalsContact O-CG1 3.32Å; L75-I79 WeakPolarHBondContact O-CG1 3.41Å; L75-I79 PolarHBondContact O-N 3.43Å; L75-L117 HydrophobicContact CD2-CD1 4.02Å; L75-L117 HydrophobicContact CG-CD1 4.47Å; L75-W121 HydrophobicContact CD1-CH2 3.93Å; L75-W121 HydrophobicContact CD1-CZ3 4.29Å; L75-W121 HydrophobicContact CD2-CH2 4.42Å; L75-W121 HydrophobicContact CD2-CZ3 4.31Å; L75-W121 HydrophobicContact CG-CH2 4.07Å; L75-W121 HydrophobicContact CG-CZ3 3.94Å; L75-L225 HydrophobicContact CD2-CD1 3.79Å; L75-L229 HydrophobicContact CD2-CG 4.46Å
76A95.9Very high94.1Very high50 Ų5048.3 Ų48.341%0.41328%0.283SS..Hα-helixtrans-61.1-44.1177.200000111L72 G73 F78 I79 V80L72-A76 VanDerWaalsContact O-CB 3.26Å; L72-A76 WeakPolarHBondContact O-CB 3.33Å; L72-A76 PolarHBondContact O-N 2.95Å; G73-A76 PolarHBondContact O-N 2.94Å; A76-F78 PolarHBondContact O-N 2.89Å; A76-I79 PolarHBondContact O-N 3.03Å; A76-V80 WeakPolarHBondContact O-CB 3.35Å; A76-V80 WeakPolarHBondContact O-CG2 3.26Å; A76-V80 PolarHBondContact O-N 3.46Å
77L96.4Very high93.7Very high81 Ų8149.3 Ų49.342%0.42428%0.283SS..Hα-helixtrans-54.5-51.5174.817465.6000111G73 L74 L75 Q81 I116G73-L77 WeakPolarHBondContact O-CB 3.46Å; G73-L77 PolarHBondContact O-N 3.47Å; L74-L77 WeakPolarHBondContact O-CB 3.17Å; L74-L77 PolarHBondContact O-N 3.32Å; L75-L77 VanDerWaalsContact C-N 3.34Å; L75-L77 PolarHBondContact O-N 3.03Å; L77-Q81 WeakPolarHBondContact O-CB 3.2Å; L77-Q81 PolarHBondContact O-N 3.31Å; L77-I116 HydrophobicContact CD2-CG2 4.04Å
78F96Very high93.3Very high24 Ų2451.1 Ų51.111%0.10530%0.299CS..Hα-helixtrans-62.5-51.3179.9173.4-103.3000112.2L74 L75 A76 Q81 H82 T110 A113 L114 L117 L229L74-F78 PolarHBondContact O-N 3.3Å; L75-F78 PolarHBondContact O-N 3.18Å; A76-F78 PolarHBondContact O-N 2.89Å; F78-Q81 PolarHBondContact O-N 2.84Å; F78-H82 WeakPolarHBondContact O-CB 3.34Å; F78-H82 PolarHBondContact O-N 3.42Å; F78-T110 HydrophobicContact CE2-CG2 3.88Å; F78-A113 HydrophobicContact CD2-CB 4.28Å; F78-L114 HydrophobicContact CD2-CB 4.11Å; F78-L114 HydrophobicContact CD2-CD1 4.26Å; F78-L114 HydrophobicContact CE2-CB 3.94Å; F78-L114 HydrophobicContact CE2-CD1 4.06Å; F78-L114 HydrophobicContact CE2-CG 4.44Å; F78-L114 HydrophobicContact CZ-CD1 4.41Å; F78-L117 HydrophobicContact CB-CD1 3.87Å; F78-L117 HydrophobicContact CG-CD1 4.33Å; F78-L229 HydrophobicContact CD1-CD2 4.31Å; F78-L229 HydrophobicContact CE1-CD2 4.11Å
79I93.3Very high93Very high39 Ų3953 Ų5320%0.231%0.311CS..Hα-helixtrans-63.9-46.6-176.6-69.6168.8000111.1L75 A76 S83 Y232L75-I79 WeakPolarHBondContact O-CB 3.44Å; L75-I79 VanDerWaalsContact O-CG1 3.32Å; L75-I79 WeakPolarHBondContact O-CG1 3.41Å; L75-I79 PolarHBondContact O-N 3.43Å; A76-I79 PolarHBondContact O-N 3.03Å; I79-S83 WeakPolarHBondContact O-CB 3.47Å; I79-S83 PolarHBondContact O-N 3.14Å; I79-S83 PolarHBondContact O-OG 2.94Å; I79-Y232 HydrophobicContact CG1-CD2 4.39Å; I79-Y232 HydrophobicContact CG1-CG 4.37Å; I79-Y232 HydrophobicContact CG2-CD2 3.63Å; I79-Y232 HydrophobicContact CG2-CE2 3.92Å; I79-Y232 HydrophobicContact CG2-CG 4.42Å
80V93.5Very high92.7Very high88 Ų8850.2 Ų50.253%0.53330%0.295SS..Hα-helixtrans-65.9-47-179.9172.70000110A76 H82 S83 L84A76-V80 WeakPolarHBondContact O-CB 3.35Å; A76-V80 WeakPolarHBondContact O-CG2 3.26Å; A76-V80 PolarHBondContact O-N 3.46Å; V80-H82 PolarHBondContact O-N 2.72Å; V80-S83 PolarHBondContact O-N 3.47Å; V80-L84 WeakPolarHBondContact O-CB 3.44Å; V80-L84 PolarHBondContact O-N 3.19Å
81Q95Very high92.2Very high36 Ų3652.5 Ų52.517%0.16830%0.301CS..Hα-helixtrans-59.8-47.6179.2-176.4-81.6-22.200111.4L77 F78 L85 T109 A113L77-Q81 WeakPolarHBondContact O-CB 3.2Å; L77-Q81 PolarHBondContact O-N 3.31Å; F78-Q81 PolarHBondContact O-N 2.84Å; Q81-L85 PolarHBondContact O-N 3.26Å; Q81-T109 PolarHBondContact NE2-OG1 3.49Å; Q81-T109 VanDerWaalsContact NE2-OG1 3.14Å; Q81-A113 HydrophobicContact CG-CB 4.34Å
82H91.2Very high91.9Very high27 Ų2758.7 Ų58.713%0.12533%0.33CS..Hα-helixtrans-64.8-44.6-178.9-174.666.2000111.7F78 V80 A86 Y106 T110 Y232F78-H82 WeakPolarHBondContact O-CB 3.34Å; F78-H82 PolarHBondContact O-N 3.42Å; V80-H82 PolarHBondContact O-N 2.72Å; H82-A86 PolarHBondContact O-N 2.78Å; H82-Y106 AromaticContact CE1-CE1 3.97Å; H82-Y106 AromaticContact CE1-CZ 3.72Å; H82-Y106 PolarHBondContact CE1-OH 3.09Å; H82-Y106 AromaticContact ND1-CZ 3.69Å; H82-Y106 PolarHBondContact ND1-OH 3.37Å; H82-Y106 VanDerWaalsContact ND1-OH 3.14Å; H82-T110 HydrophobicContact CB-CG2 4.42Å; H82-T110 VanDerWaalsContact ND1-CG2 3.26Å; H82-T110 WeakPolarHBondContact ND1-CG2 3.01Å; H82-T110 PolarHBondContact ND1-OG1 2.8Å; H82-Y232 AromaticContact CD2-CZ 3.92Å; H82-Y232 PolarHBondContact CD2-OH 2.95Å; H82-Y232 VanDerWaalsContact CD2-OH 3.23Å
83S89.9Confident91.5Very high43 Ų4357.6 Ų57.630%0.30133%0.332SS..Hα-helixtrans-69.5-40.6180-56.40000112.5I79 V80 A86 W87 Y232I79-S83 WeakPolarHBondContact O-CB 3.47Å; I79-S83 PolarHBondContact O-N 3.14Å; I79-S83 PolarHBondContact O-OG 2.94Å; V80-S83 PolarHBondContact O-N 3.47Å; S83-A86 PolarHBondContact O-N 3.02Å; S83-W87 PolarHBondContact O-N 3.27Å; S83-Y232 WeakPolarHBondContact OG-CE2 3.4Å
84L90.6Very high91.1Very high85 Ų8557.3 Ų57.345%0.44532%0.323SS..Hα-helixtrans-63.4-43.7-178.9-177.268.6000111.1V80 A86 W87 V90V80-L84 WeakPolarHBondContact O-CB 3.44Å; V80-L84 PolarHBondContact O-N 3.19Å; L84-A86 VanDerWaalsContact C-N 3.25Å; L84-A86 PolarHBondContact O-N 2.87Å; L84-W87 HydrophobicContact CD1-CE3 4.05Å; L84-W87 VanDerWaalsContact O-CB 3.25Å; L84-W87 WeakPolarHBondContact O-CB 3.38Å; L84-W87 PolarHBondContact O-N 3.26Å; L84-W87 VanDerWaalsContact O-N 3.15Å; L84-V90 HydrophobicContact CD1-CG2 3.95Å; L84-V90 HydrophobicContact CG-CG2 4.22Å; L84-V90 WeakPolarHBondContact O-CB 3.26Å
85L88.3Confident90.6Very high41 Ų4160.6 Ų60.622%0.21534%0.338CS..Hα-helixtrans-70.5-23.3177.1-69.4-176.3000113.3Q81 W87 V90 Y106 T109Q81-L85 PolarHBondContact O-N 3.26Å; L85-W87 VanDerWaalsContact C-N 3.33Å; L85-V90 HydrophobicContact CD2-CG1 4.02Å; L85-Y106 HydrophobicContact CB-CD2 3.53Å; L85-Y106 HydrophobicContact CB-CE2 3.65Å; L85-Y106 HydrophobicContact CD1-CD2 4.19Å; L85-T109 WeakPolarHBondContact CD1-OG1 3.46Å
86A85Confident90.2Very high50 Ų5065.1 Ų65.141%0.41337%0.37SS..Hα-helixtrans-80.2-17.2173.100000112.6H82 S83 L84 A88 Y106H82-A86 PolarHBondContact O-N 2.78Å; S83-A86 PolarHBondContact O-N 3.02Å; L84-A86 VanDerWaalsContact C-N 3.25Å; L84-A86 PolarHBondContact O-N 2.87Å; A86-A88 PolarHBondContact O-N 3.46Å; A86-Y106 HydrophobicContact CB-CE2 4.22Å
87W87.4Confident89.8Confident158 Ų15868.5 Ų68.560%0.59839%0.385SS*.SBendtrans-67130.8-179.4-170.236.2000111.2S83 L84 L85 P89 V90 K91S83-W87 PolarHBondContact O-N 3.27Å; L84-W87 HydrophobicContact CD1-CE3 4.05Å; L84-W87 VanDerWaalsContact O-CB 3.25Å; L84-W87 WeakPolarHBondContact O-CB 3.38Å; L84-W87 PolarHBondContact O-N 3.26Å; L84-W87 VanDerWaalsContact O-N 3.15Å; L85-W87 VanDerWaalsContact C-N 3.33Å; W87-P89 VanDerWaalsContact C-CD 3.5Å; W87-P89 HydrophobicContact CD2-CG 3.42Å; W87-P89 VanDerWaalsContact CD2-CG 3.42Å; W87-P89 VanDerWaalsContact CE2-CG 3.45Å; W87-P89 HydrophobicContact CE3-CG 3.61Å; W87-P89 HydrophobicContact CG-CG 4.02Å; W87-P89 HydrophobicContact CH2-CG 3.85Å; W87-P89 HydrophobicContact CZ2-CG 3.68Å; W87-P89 HydrophobicContact CZ3-CG 3.82Å; W87-V90 HydrophobicContact CE3-CG2 3.82Å; W87-V90 HydrophobicContact CZ3-CG2 4.44Å; W87-V90 PolarHBondContact O-N 2.8Å; W87-V90 VanDerWaalsContact O-N 3.16Å; W87-K91 WeakPolarHBondContact O-CB 3.46Å; W87-K91 PolarHBondContact O-N 3.32Å
88A85.3Confident89.3Confident56 Ų5667.6 Ų67.646%0.46338%0.381SS..Hα-helixtrans-48.7-48.5-171.500000115.6A86 K91 Q92A86-A88 PolarHBondContact O-N 3.46Å; A88-K91 PolarHBondContact O-N 3.45Å; A88-Q92 WeakPolarHBondContact O-CB 3.26Å; A88-Q92 VanDerWaalsContact O-CG 3.25Å; A88-Q92 WeakPolarHBondContact O-CG 3.34Å; A88-Q92 PolarHBondContact O-N 2.91Å
89P89Confident88.9Confident61 Ų6168.6 Ų68.640%0.39640%0.398SS..Hα-helixtrans-66.6-41.5-178.425.6-34000112.3W87 Q92 A93W87-P89 VanDerWaalsContact C-CD 3.5Å; W87-P89 HydrophobicContact CD2-CG 3.42Å; W87-P89 VanDerWaalsContact CD2-CG 3.42Å; W87-P89 VanDerWaalsContact CE2-CG 3.45Å; W87-P89 HydrophobicContact CE3-CG 3.61Å; W87-P89 HydrophobicContact CG-CG 4.02Å; W87-P89 HydrophobicContact CH2-CG 3.85Å; W87-P89 HydrophobicContact CZ2-CG 3.68Å; W87-P89 HydrophobicContact CZ3-CG 3.82Å; P89-Q92 PolarHBondContact O-N 3.02Å; P89-A93 WeakPolarHBondContact O-CB 3.34Å; P89-A93 PolarHBondContact O-N 3.36Å
90V88.8Confident88.5Confident34 Ų3468.6 Ų68.621%0.20640%0.399CS..Hα-helixtrans-66.3-45.8177.4176.70000110L84 L85 W87 Q92 A93 C94L84-V90 HydrophobicContact CD1-CG2 3.95Å; L84-V90 HydrophobicContact CG-CG2 4.22Å; L84-V90 WeakPolarHBondContact O-CB 3.26Å; L85-V90 HydrophobicContact CD2-CG1 4.02Å; W87-V90 HydrophobicContact CE3-CG2 3.82Å; W87-V90 HydrophobicContact CZ3-CG2 4.44Å; W87-V90 PolarHBondContact O-N 2.8Å; W87-V90 VanDerWaalsContact O-N 3.16Å; V90-Q92 VanDerWaalsContact C-N 3.33Å; V90-Q92 PolarHBondContact O-N 2.91Å; V90-A93 PolarHBondContact O-N 3.42Å; V90-C94 WeakPolarHBondContact O-CB 3.45Å; V90-C94 PolarHBondContact O-N 2.97Å; V90-C94 PolarHBondContact O-SG 3.33Å; V90-C94 VanDerWaalsContact O-SG 3.33Å
91K87.6Confident88.1Confident94 Ų9465.8 Ų65.841%0.40938%0.381SS..Hα-helixtrans-57.6-45176.8-175.4-178.7175.9-174.60111.6W87 A88 C94 Q95W87-K91 WeakPolarHBondContact O-CB 3.46Å; W87-K91 PolarHBondContact O-N 3.32Å; A88-K91 PolarHBondContact O-N 3.45Å; K91-C94 PolarHBondContact O-N 2.9Å; K91-Q95 HydrophobicContact CG-CG 4.48Å; K91-Q95 VanDerWaalsContact O-CB 3.3Å; K91-Q95 WeakPolarHBondContact O-CB 3.23Å; K91-Q95 WeakPolarHBondContact O-CG 3.45Å; K91-Q95 PolarHBondContact O-N 3.26Å
92Q88.3Confident87.8Confident130 Ų13065 Ų6561%0.60738%0.378SS*.Hα-helixtrans-64.7-42.9177.5-75.2172.8-1.200111.9A88 P89 V90 Q95 S96A88-Q92 WeakPolarHBondContact O-CB 3.26Å; A88-Q92 VanDerWaalsContact O-CG 3.25Å; A88-Q92 WeakPolarHBondContact O-CG 3.34Å; A88-Q92 PolarHBondContact O-N 2.91Å; P89-Q92 PolarHBondContact O-N 3.02Å; V90-Q92 VanDerWaalsContact C-N 3.33Å; V90-Q92 PolarHBondContact O-N 2.91Å; Q92-Q95 PolarHBondContact O-N 2.99Å; Q92-S96 PolarHBondContact O-N 3.45Å
93A89.7Confident87.6Confident52 Ų5267.2 Ų67.243%0.4339%0.385SS..Hα-helixtrans-61.3-48.9175.400000111.4P89 V90 Q95 S96 V97P89-A93 WeakPolarHBondContact O-CB 3.34Å; P89-A93 PolarHBondContact O-N 3.36Å; V90-A93 PolarHBondContact O-N 3.42Å; A93-Q95 VanDerWaalsContact C-N 3.35Å; A93-Q95 PolarHBondContact O-N 3.49Å; A93-S96 PolarHBondContact O-N 2.94Å; A93-S96 VanDerWaalsContact O-N 3.17Å; A93-S96 PolarHBondContact O-OG 3.45Å; A93-V97 PolarHBondContact O-N 2.94Å
94C88.2Confident87.7Confident34 Ų3465.5 Ų65.523%0.2337%0.374CS..Hα-helixtrans-62.5-40177-67.60000112.2V90 K91 S96 V97 L98 N102V90-C94 WeakPolarHBondContact O-CB 3.45Å; V90-C94 PolarHBondContact O-N 2.97Å; V90-C94 PolarHBondContact O-SG 3.33Å; V90-C94 VanDerWaalsContact O-SG 3.33Å; K91-C94 PolarHBondContact O-N 2.9Å; C94-S96 VanDerWaalsContact C-N 3.32Å; C94-S96 PolarHBondContact O-N 3.19Å; C94-V97 PolarHBondContact O-N 3.19Å; C94-L98 HydrophobicContact CB-CD1 4.38Å; C94-L98 VanDerWaalsContact O-CB 3.32Å; C94-L98 WeakPolarHBondContact O-CB 3.49Å; C94-L98 PolarHBondContact O-N 2.99Å; C94-N102 VanDerWaalsContact C-OD1 3.27Å; C94-N102 WeakPolarHBondContact CB-OD1 3.31Å
95Q87.7Confident87.7Confident86 Ų8665 Ų6540%0.40237%0.37SS..Hα-helixtrans-61.5-38.7174.3-77.8176.1-28.700112.2K91 Q92 A93 V97 G99 N102K91-Q95 HydrophobicContact CG-CG 4.48Å; K91-Q95 VanDerWaalsContact O-CB 3.3Å; K91-Q95 WeakPolarHBondContact O-CB 3.23Å; K91-Q95 WeakPolarHBondContact O-CG 3.45Å; K91-Q95 PolarHBondContact O-N 3.26Å; Q92-Q95 PolarHBondContact O-N 2.99Å; A93-Q95 VanDerWaalsContact C-N 3.35Å; A93-Q95 PolarHBondContact O-N 3.49Å; Q95-V97 VanDerWaalsContact C-N 3.28Å; Q95-V97 PolarHBondContact O-N 2.84Å; Q95-G99 VanDerWaalsContact O-CA 3.25Å; Q95-G99 WeakPolarHBondContact O-CA 3.49Å; Q95-G99 PolarHBondContact O-N 3.28Å; Q95-N102 HydrophobicContact CG-CB 3.92Å; Q95-N102 VanDerWaalsContact CG-CG 3.43Å; Q95-N102 VanDerWaalsContact CG-ND2 3.33Å; Q95-N102 WeakPolarHBondContact CG-ND2 3.49Å; Q95-N102 PolarHBondContact N-OD1 3.3Å
96S87.1Confident87.8Confident98 Ų9866 Ų6669%0.68537%0.371SS*.Hα-helixtrans-65.3-30.617875.90000113.3Q92 A93 C94Q92-S96 PolarHBondContact O-N 3.45Å; A93-S96 PolarHBondContact O-N 2.94Å; A93-S96 VanDerWaalsContact O-N 3.17Å; A93-S96 PolarHBondContact O-OG 3.45Å; C94-S96 VanDerWaalsContact C-N 3.32Å; C94-S96 PolarHBondContact O-N 3.19Å
97V88Confident88.2Confident121 Ų12164.6 Ų64.673%0.73336%0.358SS*.Hα-helixtrans-90.2-45-178.4177.20000111.9A93 C94 Q95A93-V97 PolarHBondContact O-N 2.94Å; C94-V97 PolarHBondContact O-N 3.19Å; Q95-V97 VanDerWaalsContact C-N 3.28Å; Q95-V97 PolarHBondContact O-N 2.84Å
98L85.4Confident88.4Confident63 Ų6358.2 Ų58.233%0.3334%0.338SS..Hα-helixtrans-97.1-17-170.3-63.1166.5000113.3C94 V100 L101 N102 M105C94-L98 HydrophobicContact CB-CD1 4.38Å; C94-L98 VanDerWaalsContact O-CB 3.32Å; C94-L98 WeakPolarHBondContact O-CB 3.49Å; C94-L98 PolarHBondContact O-N 2.99Å; L98-V100 PolarHBondContact O-N 2.92Å; L98-V100 VanDerWaalsContact O-N 3.12Å; L98-L101 HydrophobicContact CB-CB 4.44Å; L98-L101 PolarHBondContact O-N 3.36Å; L98-N102 HydrophobicContact CB-CB 4.26Å; L98-M105 HydrophobicContact CD1-CB 3.75Å; L98-M105 HydrophobicContact CD1-CG 3.69Å; L98-M105 HydrophobicContact CD2-CG 4.13Å; L98-M105 HydrophobicContact CG-CG 4.46Å
99G87.1Confident88.9Confident45 Ų4557.5 Ų57.546%0.46433%0.328SS..G310 helixtrans50.8-117.7-176.800000111.8Q95 L101 N102Q95-G99 VanDerWaalsContact O-CA 3.25Å; Q95-G99 WeakPolarHBondContact O-CA 3.49Å; Q95-G99 PolarHBondContact O-N 3.28Å; G99-L101 PolarHBondContact O-N 2.97Å; G99-N102 VanDerWaalsContact O-CB 3.23Å; G99-N102 WeakPolarHBondContact O-CB 3.47Å; G99-N102 PolarHBondContact O-N 3.49Å; G99-N102 VanDerWaalsContact O-N 3.12Å
100V84.8Confident89.1Confident38 Ų3855.5 Ų55.523%0.2331%0.314CS..G310 helixtrans-63.7-26.7-176.7-174.70000113.1L98 N102 Q174 V175 E178L98-V100 PolarHBondContact O-N 2.92Å; L98-V100 VanDerWaalsContact O-N 3.12Å; V100-N102 VanDerWaalsContact C-N 3.29Å; V100-N102 PolarHBondContact O-N 2.95Å; V100-Q174 HydrophobicContact CG1-CB 3.89Å; V100-Q174 VanDerWaalsContact CG1-O 3.22Å; V100-Q174 WeakPolarHBondContact CG1-O 3.27Å; V100-V175 HydrophobicContact CG1-CB 4.4Å; V100-V175 HydrophobicContact CG1-CG2 3.87Å; V100-E178 HydrophobicContact CB-CB 4.46Å; V100-E178 HydrophobicContact CB-CG 4.49Å; V100-E178 HydrophobicContact CG1-CB 3.91Å; V100-E178 HydrophobicContact CG1-CG 4.45Å; V100-E178 HydrophobicContact CG2-CB 3.9Å; V100-E178 HydrophobicContact CG2-CG 3.71Å
101L86.7Confident89.5Confident30 Ų3054.2 Ų54.216%0.15731%0.307CS..G310 helixtrans-79.2-8.3177.9-98.270.5000113.8L11 L14 L98 G99 R103 A104 M105 V175L11-L101 HydrophobicContact CD2-CD1 3.26Å; L11-L101 HydrophobicContact CG-CD1 4.46Å; L14-L101 HydrophobicContact CB-CD2 4.36Å; L14-L101 HydrophobicContact CD1-CD2 3.89Å; L98-L101 HydrophobicContact CB-CB 4.44Å; L98-L101 PolarHBondContact O-N 3.36Å; G99-L101 PolarHBondContact O-N 2.97Å; L101-R103 VanDerWaalsContact C-N 3.26Å; L101-R103 PolarHBondContact O-N 2.86Å; L101-A104 PolarHBondContact O-N 2.95Å; L101-A104 VanDerWaalsContact O-N 3.07Å; L101-M105 WeakPolarHBondContact O-CB 3.47Å; L101-M105 PolarHBondContact O-N 2.85Å; L101-V175 HydrophobicContact CD1-CG2 4.14Å
102N88.4Confident89.9Confident19 Ų1954 Ų5410%0.10231%0.31CS..Hα-helixtrans-54.9-41.8-174.7-179.375.5000112.8C94 Q95 L98 G99 V100 M105 Y106C94-N102 VanDerWaalsContact C-OD1 3.27Å; C94-N102 WeakPolarHBondContact CB-OD1 3.31Å; Q95-N102 HydrophobicContact CG-CB 3.92Å; Q95-N102 VanDerWaalsContact CG-CG 3.43Å; Q95-N102 VanDerWaalsContact CG-ND2 3.33Å; Q95-N102 WeakPolarHBondContact CG-ND2 3.49Å; Q95-N102 PolarHBondContact N-OD1 3.3Å; L98-N102 HydrophobicContact CB-CB 4.26Å; G99-N102 VanDerWaalsContact O-CB 3.23Å; G99-N102 WeakPolarHBondContact O-CB 3.47Å; G99-N102 PolarHBondContact O-N 3.49Å; G99-N102 VanDerWaalsContact O-N 3.12Å; V100-N102 VanDerWaalsContact C-N 3.29Å; V100-N102 PolarHBondContact O-N 2.95Å; N102-M105 PolarHBondContact O-N 3.46Å; N102-Y106 WeakPolarHBondContact O-CB 3.47Å; N102-Y106 PolarHBondContact O-N 3.47Å
103R87.3Confident90.3Very high74 Ų7448.1 Ų48.128%0.27928%0.284SS..Hα-helixtrans-68.3-42.6178.2-178.8169.8-93.2-172.3-2.9112L101 M105 Y106 C107 E168 L169L101-R103 VanDerWaalsContact C-N 3.26Å; L101-R103 PolarHBondContact O-N 2.86Å; R103-M105 VanDerWaalsContact C-N 3.34Å; R103-M105 PolarHBondContact O-N 3.45Å; R103-Y106 WeakPolarHBondContact O-CB 3.26Å; R103-Y106 PolarHBondContact O-N 3.18Å; R103-C107 PolarHBondContact O-N 2.82Å; R103-C107 PolarHBondContact O-SG 2.89Å; R103-C107 VanDerWaalsContact O-SG 3.32Å; R103-E168 VanDerWaalsContact CD-O 3.31Å; R103-E168 WeakPolarHBondContact CD-O 3.46Å; R103-E168 PolarHBondContact NH1-O 3.24Å; R103-L169 WeakPolarHBondContact CD-O 3.26Å; R103-L169 WeakPolarHBondContact CG-O 3.43Å
104A90.3Very high90.7Very high6 Ų646.7 Ų46.75%0.0527%0.269CS..Hα-helixtrans-62.8-41.4175.300000111.7N18 L101 C107 S108N18-A104 HydrophobicContact CB-CB 4.3Å; N18-A104 WeakPolarHBondContact ND2-CA 3.31Å; N18-A104 PolarHBondContact OD1-O 3.48Å; L101-A104 PolarHBondContact O-N 2.95Å; L101-A104 VanDerWaalsContact O-N 3.07Å; A104-C107 PolarHBondContact O-N 3.1Å; A104-S108 WeakPolarHBondContact O-CB 3.43Å; A104-S108 PolarHBondContact O-N 2.68Å; A104-S108 PolarHBondContact O-OG 2.95Å
105M90.9Very high91.1Very high76 Ų7647.1 Ų47.137%0.37427%0.268SS..Hα-helixtrans-64.3-41.8175.6-81-62.8-56.800112.7L98 L101 N102 R103 S108 T109L98-M105 HydrophobicContact CD1-CB 3.75Å; L98-M105 HydrophobicContact CD1-CG 3.69Å; L98-M105 HydrophobicContact CD2-CG 4.13Å; L98-M105 HydrophobicContact CG-CG 4.46Å; L101-M105 WeakPolarHBondContact O-CB 3.47Å; L101-M105 PolarHBondContact O-N 2.85Å; N102-M105 PolarHBondContact O-N 3.46Å; R103-M105 VanDerWaalsContact C-N 3.34Å; R103-M105 PolarHBondContact O-N 3.45Å; M105-S108 VanDerWaalsContact CA-OG 3.31Å; M105-S108 WeakPolarHBondContact CA-OG 3.26Å; M105-S108 PolarHBondContact O-OG 2.92Å; M105-S108 VanDerWaalsContact O-OG 3.09Å; M105-T109 HydrophobicContact CE-CG2 4.01Å; M105-T109 WeakPolarHBondContact O-CB 3.47Å; M105-T109 WeakPolarHBondContact O-CG2 3.4Å; M105-T109 PolarHBondContact O-N 2.87Å; M105-T109 PolarHBondContact O-OG1 3.08Å
106Y91.2Very high91.5Very high60 Ų6045.9 Ų45.924%0.23526%0.263CS..Hα-helixtrans-57.3-50.2172.8177.2-87.5000111.5H82 L85 A86 N102 R103 T109 T110H82-Y106 AromaticContact CE1-CE1 3.97Å; H82-Y106 AromaticContact CE1-CZ 3.72Å; H82-Y106 PolarHBondContact CE1-OH 3.09Å; H82-Y106 AromaticContact ND1-CZ 3.69Å; H82-Y106 PolarHBondContact ND1-OH 3.37Å; H82-Y106 VanDerWaalsContact ND1-OH 3.14Å; L85-Y106 HydrophobicContact CB-CD2 3.53Å; L85-Y106 HydrophobicContact CB-CE2 3.65Å; L85-Y106 HydrophobicContact CD1-CD2 4.19Å; A86-Y106 HydrophobicContact CB-CE2 4.22Å; N102-Y106 WeakPolarHBondContact O-CB 3.47Å; N102-Y106 PolarHBondContact O-N 3.47Å; R103-Y106 WeakPolarHBondContact O-CB 3.26Å; R103-Y106 PolarHBondContact O-N 3.18Å; Y106-T109 PolarHBondContact O-OG1 3.44Å; Y106-T110 VanDerWaalsContact O-CB 3.3Å; Y106-T110 WeakPolarHBondContact O-CB 3.21Å; Y106-T110 PolarHBondContact O-N 3.43Å; Y106-T110 PolarHBondContact O-OG1 3.22Å
107C92.3Very high92Very high21 Ų2141.3 Ų41.314%0.14223%0.231CC..Hα-helixtrans-66.5-46.3-178.1-67.10000112.3V22 R103 A104 T110 A111 L170V22-C107 HydrophobicContact CG2-CB 4.01Å; R103-C107 PolarHBondContact O-N 2.82Å; R103-C107 PolarHBondContact O-SG 2.89Å; R103-C107 VanDerWaalsContact O-SG 3.32Å; A104-C107 PolarHBondContact O-N 3.1Å; C107-T110 PolarHBondContact O-N 2.82Å; C107-A111 VanDerWaalsContact O-CB 3.28Å; C107-A111 WeakPolarHBondContact O-CB 3.37Å; C107-A111 PolarHBondContact O-N 2.74Å; C107-L170 HydrophobicContact CB-CD2 4.14Å
108S93.2Very high92.3Very high24 Ų2436.5 Ų36.517%0.16820%0.201CC..Hα-helixtrans-62-47.2178.142.40000112.4N18 F21 A104 M105 T110 A111 L112N18-S108 WeakPolarHBondContact OD1-CA 3.5Å; N18-S108 WeakPolarHBondContact OD1-CB 3.32Å; N18-S108 PolarHBondContact OD1-N 3.23Å; F21-S108 WeakPolarHBondContact CE1-O 3.36Å; A104-S108 WeakPolarHBondContact O-CB 3.43Å; A104-S108 PolarHBondContact O-N 2.68Å; A104-S108 PolarHBondContact O-OG 2.95Å; M105-S108 VanDerWaalsContact CA-OG 3.31Å; M105-S108 WeakPolarHBondContact CA-OG 3.26Å; M105-S108 PolarHBondContact O-OG 2.92Å; M105-S108 VanDerWaalsContact O-OG 3.09Å; S108-T110 PolarHBondContact O-N 3.13Å; S108-A111 PolarHBondContact O-N 2.81Å; S108-L112 WeakPolarHBondContact O-CB 3.46Å; S108-L112 PolarHBondContact O-N 3.09Å
109T94.4Very high92.8Very high42 Ų4240.4 Ų40.426%0.25822%0.217SC..Hα-helixtrans-68.4-36.1-179.454.70000112.2Q81 L85 M105 Y106 L112 A113Q81-T109 PolarHBondContact NE2-OG1 3.49Å; Q81-T109 VanDerWaalsContact NE2-OG1 3.14Å; L85-T109 WeakPolarHBondContact CD1-OG1 3.46Å; M105-T109 HydrophobicContact CE-CG2 4.01Å; M105-T109 WeakPolarHBondContact O-CB 3.47Å; M105-T109 WeakPolarHBondContact O-CG2 3.4Å; M105-T109 PolarHBondContact O-N 2.87Å; M105-T109 PolarHBondContact O-OG1 3.08Å; Y106-T109 PolarHBondContact O-OG1 3.44Å; T109-L112 PolarHBondContact O-N 3.32Å; T109-A113 PolarHBondContact O-N 3.01Å
110T94.9Very high93.2Very high18 Ų1845 Ų4511%0.1122%0.221CC..Hα-helixtrans-63.1-45.2171-57.80000111.2F78 H82 Y106 C107 S108 L112 A113 L114F78-T110 HydrophobicContact CE2-CG2 3.88Å; H82-T110 HydrophobicContact CB-CG2 4.42Å; H82-T110 VanDerWaalsContact ND1-CG2 3.26Å; H82-T110 WeakPolarHBondContact ND1-CG2 3.01Å; H82-T110 PolarHBondContact ND1-OG1 2.8Å; Y106-T110 VanDerWaalsContact O-CB 3.3Å; Y106-T110 WeakPolarHBondContact O-CB 3.21Å; Y106-T110 PolarHBondContact O-N 3.43Å; Y106-T110 PolarHBondContact O-OG1 3.22Å; C107-T110 PolarHBondContact O-N 2.82Å; S108-T110 PolarHBondContact O-N 3.13Å; T110-L112 VanDerWaalsContact C-N 3.31Å; T110-L112 PolarHBondContact O-N 3.09Å; T110-A113 PolarHBondContact O-N 3.42Å; T110-L114 WeakPolarHBondContact O-CB 3.12Å; T110-L114 PolarHBondContact O-N 3.41Å
111A95.6Very high93.6Very high7 Ų743.8 Ų43.86%0.05821%0.213CC..Hα-helixtrans-63.1-38.5176.600000111.7F21 V22 T25 C107 S108 L114 Q115F21-A111 HydrophobicContact CD1-CB 4.14Å; F21-A111 HydrophobicContact CE1-CB 3.74Å; V22-A111 HydrophobicContact CB-CB 4.41Å; V22-A111 HydrophobicContact CG1-CB 4.47Å; V22-A111 HydrophobicContact CG2-CB 3.87Å; T25-A111 HydrophobicContact CG2-CB 3.93Å; T25-A111 WeakPolarHBondContact CG2-O 3.26Å; C107-A111 VanDerWaalsContact O-CB 3.28Å; C107-A111 WeakPolarHBondContact O-CB 3.37Å; C107-A111 PolarHBondContact O-N 2.74Å; S108-A111 PolarHBondContact O-N 2.81Å; A111-L114 WeakPolarHBondContact O-CB 3.46Å; A111-L114 PolarHBondContact O-N 2.91Å; A111-Q115 WeakPolarHBondContact O-CG 3.33Å; A111-Q115 PolarHBondContact O-N 3.44Å
112L96.9Very high93.9Very high90 Ų9045.1 Ų45.147%0.47122%0.218SC..Hα-helixtrans-64.1-45.8175.1-178.763.2000111.9F21 S108 T109 T110 L114 Q115 I116F21-L112 HydrophobicContact CE1-CB 4.24Å; F21-L112 HydrophobicContact CZ-CB 4.24Å; F21-L112 HydrophobicContact CZ-CD1 4.3Å; S108-L112 WeakPolarHBondContact O-CB 3.46Å; S108-L112 PolarHBondContact O-N 3.09Å; T109-L112 PolarHBondContact O-N 3.32Å; T110-L112 VanDerWaalsContact C-N 3.31Å; T110-L112 PolarHBondContact O-N 3.09Å; L112-L114 PolarHBondContact O-N 3.26Å; L112-Q115 PolarHBondContact O-N 2.99Å; L112-I116 HydrophobicContact CG-CD1 4.21Å; L112-I116 WeakPolarHBondContact O-CG1 3.42Å; L112-I116 PolarHBondContact O-N 3.17Å
113A97.3Very high93.9Very high6 Ų646.9 Ų46.95%0.0523%0.23CC..Hα-helixtrans-59.3-39.1174.900000111.4F78 Q81 T109 T110 I116 L117F78-A113 HydrophobicContact CD2-CB 4.28Å; Q81-A113 HydrophobicContact CG-CB 4.34Å; T109-A113 PolarHBondContact O-N 3.01Å; T110-A113 PolarHBondContact O-N 3.42Å; A113-I116 PolarHBondContact O-N 2.71Å; A113-L117 PolarHBondContact O-N 3.42Å
114L96.6Very high93.9Very high23 Ų2343.5 Ų43.512%0.1222%0.218CC..Hα-helixtrans-66.8-41.5175.3-171.958.7000112.4T25 F29 F78 T110 A111 L112 L117 M118T25-L114 HydrophobicContact CG2-CB 4.3Å; T25-L114 HydrophobicContact CG2-CD2 4.12Å; T25-L114 HydrophobicContact CG2-CG 4.37Å; F29-L114 HydrophobicContact CB-CD2 4.2Å; F29-L114 HydrophobicContact CD2-CD1 3.84Å; F29-L114 HydrophobicContact CD2-CD2 3.89Å; F29-L114 HydrophobicContact CD2-CG 4.17Å; F29-L114 HydrophobicContact CE2-CD1 3.87Å; F29-L114 HydrophobicContact CE2-CD2 4.37Å; F29-L114 HydrophobicContact CG-CD2 4.05Å; F78-L114 HydrophobicContact CD2-CB 4.11Å; F78-L114 HydrophobicContact CD2-CD1 4.26Å; F78-L114 HydrophobicContact CE2-CB 3.94Å; F78-L114 HydrophobicContact CE2-CD1 4.06Å; F78-L114 HydrophobicContact CE2-CG 4.44Å; F78-L114 HydrophobicContact CZ-CD1 4.41Å; T110-L114 WeakPolarHBondContact O-CB 3.12Å; T110-L114 PolarHBondContact O-N 3.41Å; A111-L114 WeakPolarHBondContact O-CB 3.46Å; A111-L114 PolarHBondContact O-N 2.91Å; L112-L114 PolarHBondContact O-N 3.26Å; L114-L117 WeakPolarHBondContact O-CB 3.5Å; L114-L117 PolarHBondContact O-N 2.68Å; L114-M118 HydrophobicContact CG-CE 4.16Å; L114-M118 HydrophobicContact CG-SD 4.42Å; L114-M118 VanDerWaalsContact O-CG 3.31Å; L114-M118 WeakPolarHBondContact O-CG 3.45Å; L114-M118 PolarHBondContact O-N 3.07Å
115Q97.1Very high93.6Very high43 Ų4346.1 Ų46.120%0.20123%0.233CC..Hα-helixtrans-60.6-44.3174.3-76.9-69.91.600111.7F21 T25 D28 A111 L112 L117 M118 H119F21-Q115 HydrophobicContact CE2-CG 4.4Å; F21-Q115 HydrophobicContact CZ-CG 4.22Å; T25-Q115 VanDerWaalsContact CA-NE2 3.33Å; T25-Q115 HydrophobicContact CG2-CG 3.74Å; T25-Q115 WeakPolarHBondContact OG1-CG 3.25Å; T25-Q115 PolarHBondContact OG1-NE2 3.49Å; D28-Q115 PolarHBondContact OD2-NE2 2.98Å; A111-Q115 WeakPolarHBondContact O-CG 3.33Å; A111-Q115 PolarHBondContact O-N 3.44Å; L112-Q115 PolarHBondContact O-N 2.99Å; Q115-L117 VanDerWaalsContact C-N 3.33Å; Q115-L117 PolarHBondContact O-N 3.4Å; Q115-M118 HydrophobicContact CG-CE 4.29Å; Q115-M118 PolarHBondContact O-N 2.96Å; Q115-H119 VanDerWaalsContact O-CB 3.26Å; Q115-H119 WeakPolarHBondContact O-CB 3.32Å; Q115-H119 PolarHBondContact O-N 3.4Å
116I97.3Very high93.2Very high59 Ų5946 Ų4630%0.30323%0.232SC..Hα-helixtrans-58.5-47.7175.1-68167.2000109.9L74 L77 L112 A113 M118 H119 Y120L74-I116 HydrophobicContact CD2-CG2 4.03Å; L77-I116 HydrophobicContact CD2-CG2 4.04Å; L112-I116 HydrophobicContact CG-CD1 4.21Å; L112-I116 WeakPolarHBondContact O-CG1 3.42Å; L112-I116 PolarHBondContact O-N 3.17Å; A113-I116 PolarHBondContact O-N 2.71Å; I116-M118 PolarHBondContact O-N 2.85Å; I116-H119 PolarHBondContact O-N 3.15Å; I116-Y120 HydrophobicContact CG2-CD2 3.89Å; I116-Y120 HydrophobicContact CG2-CE2 4.37Å; I116-Y120 WeakPolarHBondContact O-CD2 3.42Å; I116-Y120 PolarHBondContact O-N 3.5Å
117L96.9Very high92.9Very high3 Ų343.2 Ų43.22%0.01622%0.221CC..Hα-helixtrans-55.9-50.5176.1-179.4157.9000111.4F32 L74 L75 F78 A113 L114 Q115 H119 W121F32-L117 HydrophobicContact CE1-CD2 4.16Å; F32-L117 HydrophobicContact CZ-CD2 4.29Å; L74-L117 HydrophobicContact CB-CB 4.38Å; L74-L117 HydrophobicContact CB-CG 4.16Å; L75-L117 HydrophobicContact CD2-CD1 4.02Å; L75-L117 HydrophobicContact CG-CD1 4.47Å; F78-L117 HydrophobicContact CB-CD1 3.87Å; F78-L117 HydrophobicContact CG-CD1 4.33Å; A113-L117 PolarHBondContact O-N 3.42Å; L114-L117 WeakPolarHBondContact O-CB 3.5Å; L114-L117 PolarHBondContact O-N 2.68Å; Q115-L117 VanDerWaalsContact C-N 3.33Å; Q115-L117 PolarHBondContact O-N 3.4Å; L117-H119 PolarHBondContact O-N 3.41Å; L117-W121 HydrophobicContact CD2-CE3 3.72Å; L117-W121 HydrophobicContact CD2-CZ3 4.03Å; L117-W121 HydrophobicContact CG-CE3 4.02Å; L117-W121 HydrophobicContact CG-CZ3 4.16Å; L117-W121 WeakPolarHBondContact O-CB 3.36Å; L117-W121 PolarHBondContact O-N 2.9Å; L117-W121 VanDerWaalsContact O-N 3.1Å
118M94.9Very high92.6Very high20 Ų2042.6 Ų42.610%0.09922%0.217CC..Hα-helixtrans-66.8-37.9-177.2-67.4-176.1-61.600112.9T25 D28 F29 F32 L114 Q115 I116T25-M118 HydrophobicContact CG2-CE 4.04Å; D28-M118 HydrophobicContact CB-CE 3.9Å; D28-M118 HydrophobicContact CB-SD 4.43Å; F29-M118 WeakPolarHBondContact CA-SD 3.44Å; F29-M118 HydrophobicContact CB-SD 3.87Å; F29-M118 HydrophobicContact CD2-SD 3.96Å; F29-M118 HydrophobicContact CG-SD 4.44Å; F32-M118 HydrophobicContact CB-CG 4.06Å; F32-M118 HydrophobicContact CB-SD 3.73Å; F32-M118 HydrophobicContact CD1-CG 3.84Å; F32-M118 HydrophobicContact CD1-SD 4.32Å; F32-M118 HydrophobicContact CD2-CB 4.14Å; F32-M118 HydrophobicContact CD2-CG 4.12Å; F32-M118 HydrophobicContact CE1-CG 4.31Å; F32-M118 HydrophobicContact CG-CB 4.24Å; F32-M118 HydrophobicContact CG-CG 3.74Å; F32-M118 HydrophobicContact CG-SD 4.08Å; L114-M118 HydrophobicContact CG-CE 4.16Å; L114-M118 HydrophobicContact CG-SD 4.42Å; L114-M118 VanDerWaalsContact O-CG 3.31Å; L114-M118 WeakPolarHBondContact O-CG 3.45Å; L114-M118 PolarHBondContact O-N 3.07Å; Q115-M118 HydrophobicContact CG-CE 4.29Å; Q115-M118 PolarHBondContact O-N 2.96Å; I116-M118 PolarHBondContact O-N 2.85Å
119H94.4Very high92.4Very high145 Ų14542 Ų4267%0.67121%0.213SC*.Hα-helixtrans-75.7-37.9-175.8-169.374.9000112.8Q115 I116 L117Q115-H119 VanDerWaalsContact O-CB 3.26Å; Q115-H119 WeakPolarHBondContact O-CB 3.32Å; Q115-H119 PolarHBondContact O-N 3.4Å; I116-H119 PolarHBondContact O-N 3.15Å; L117-H119 PolarHBondContact O-N 3.41Å
120Y95.3Very high92.1Very high142 Ų14244.7 Ų44.756%0.55723%0.225SC*.Hα-helixtrans-96.34.4-178.8-67-74.3000113.7L74 I116 Q122L74-Y120 WeakPolarHBondContact CD1-O 3.4Å; I116-Y120 HydrophobicContact CG2-CD2 3.89Å; I116-Y120 HydrophobicContact CG2-CE2 4.37Å; I116-Y120 WeakPolarHBondContact O-CD2 3.42Å; I116-Y120 PolarHBondContact O-N 3.5Å; Y120-Q122 WeakPolarHBondContact O-CG 3.35Å; Y120-Q122 PolarHBondContact O-N 3.4Å
121W94.5Very high91.7Very high12 Ų1248.2 Ų48.25%0.04524%0.236CC..  trans-58.9127.2178.3-165.8-95.2000112.4F32 D71 L75 L117 P123 D221 L225F32-W121 HydrophobicContact CE2-CB 3.81Å; F32-W121 AromaticContact CE2-CD1 3.98Å; F32-W121 HydrophobicContact CE2-CD2 4.4Å; F32-W121 AromaticContact CE2-CG 3.75Å; F32-W121 HydrophobicContact CE2-CG 3.75Å; F32-W121 HydrophobicContact CZ-CB 4.01Å; F32-W121 AromaticContact CZ-CD1 3.92Å; F32-W121 AromaticContact CZ-CD2 3.76Å; F32-W121 HydrophobicContact CZ-CD2 3.76Å; F32-W121 HydrophobicContact CZ-CE3 4.29Å; F32-W121 AromaticContact CZ-CG 3.58Å; F32-W121 HydrophobicContact CZ-CG 3.58Å; D71-W121 HydrophobicContact CB-CE3 4.35Å; D71-W121 HydrophobicContact CB-CH2 3.73Å; D71-W121 HydrophobicContact CB-CZ2 4.03Å; D71-W121 HydrophobicContact CB-CZ3 3.9Å; L75-W121 HydrophobicContact CD1-CH2 3.93Å; L75-W121 HydrophobicContact CD1-CZ3 4.29Å; L75-W121 HydrophobicContact CD2-CH2 4.42Å; L75-W121 HydrophobicContact CD2-CZ3 4.31Å; L75-W121 HydrophobicContact CG-CH2 4.07Å; L75-W121 HydrophobicContact CG-CZ3 3.94Å; L117-W121 HydrophobicContact CD2-CE3 3.72Å; L117-W121 HydrophobicContact CD2-CZ3 4.03Å; L117-W121 HydrophobicContact CG-CE3 4.02Å; L117-W121 HydrophobicContact CG-CZ3 4.16Å; L117-W121 WeakPolarHBondContact O-CB 3.36Å; L117-W121 PolarHBondContact O-N 2.9Å; L117-W121 VanDerWaalsContact O-N 3.1Å; W121-P123 WeakPolarHBondContact O-CD 3.45Å; W121-D221 HydrophobicContact CZ2-CB 4.1Å; W121-D221 WeakPolarHBondContact CZ2-O 3.48Å; W121-D221 PolarHBondContact NE1-OD2 3.14Å; W121-L225 HydrophobicContact CH2-CB 3.81Å; W121-L225 HydrophobicContact CH2-CD1 4Å; W121-L225 HydrophobicContact CH2-CG 4.41Å; W121-L225 HydrophobicContact CZ2-CB 3.8Å; W121-L225 HydrophobicContact CZ3-CD1 4.24Å
122Q91.7Very high91.3Very high57 Ų5749.3 Ų49.327%0.26624%0.244SC..  trans-102.3100.4-175.8-61.8-165.3-8.700111.1S67 V70 D71 Y120 V124S67-Q122 VanDerWaalsContact CA-OE1 3.31Å; S67-Q122 PolarHBondContact OG-OE1 3.43Å; V70-Q122 HydrophobicContact CB-CG 4.38Å; V70-Q122 HydrophobicContact CG1-CG 3.99Å; D71-Q122 PolarHBondContact OD1-N 3.39Å; D71-Q122 VanDerWaalsContact OD2-O 3.06Å; Y120-Q122 WeakPolarHBondContact O-CG 3.35Å; Y120-Q122 PolarHBondContact O-N 3.4Å; Q122-V124 PolarHBondContact O-N 3.05Å
123P88.6Confident90.7Very high56 Ų5646.5 Ų46.536%0.36423%0.23SC..  trans-60.7135.1177.430.1-37.5000110.5W121 T125W121-P123 WeakPolarHBondContact O-CD 3.45Å; P123-T125 PolarHBondContact O-N 2.87Å
124V87.8Confident89.8Confident4 Ų451 Ų512%0.02425%0.246CC..  trans-9890.9179.7-1790000109.1V64 Q122 A127 L220 D221V64-V124 HydrophobicContact CB-CG1 4.47Å; V64-V124 HydrophobicContact CG1-CG1 3.95Å; V64-V124 HydrophobicContact CG2-CG1 4.15Å; Q122-V124 PolarHBondContact O-N 3.05Å; V124-A127 HydrophobicContact CG1-CB 3.56Å; V124-L220 HydrophobicContact CB-CB 4.36Å; V124-L220 HydrophobicContact CG1-CB 4.24Å; V124-L220 HydrophobicContact CG1-CD2 4.3Å; V124-D221 HydrophobicContact CB-CB 4.31Å; V124-D221 HydrophobicContact CG2-CB 3.95Å
125T83.6Confident89.1Confident60 Ų6056 Ų5637%0.36827%0.273SS..  trans-87.3-26.7179.952.80000113.7Q50 P123 A127Q50-T125 PolarHBondContact N-O 3.33Å; P123-T125 PolarHBondContact O-N 2.87Å; T125-A127 VanDerWaalsContact C-N 3.26Å; T125-A127 PolarHBondContact O-N 3.15Å
126E83.4Confident88.4Confident75 Ų7558 Ų5835%0.3530%0.296SS..SBendtrans-79.1-6.6-176.4-55-48.9118.500113.5Q50 V64Q50-E126 PolarHBondContact NE2-OE2 3.04Å; V64-E126 HydrophobicContact CG2-CB 3.93Å
127A85Confident87.7Confident1 Ų158.7 Ų58.71%0.00831%0.305CS..SBendtrans-96.3152.417400000111.1C49 Q50 W55 A58 V64 V124 T125 L220C49-A127 WeakPolarHBondContact CB-O 3.32Å; Q50-A127 PolarHBondContact N-O 3.48Å; W55-A127 HydrophobicContact CZ3-CB 4.41Å; A58-A127 HydrophobicContact CB-CB 4.24Å; V64-A127 HydrophobicContact CG1-CB 4.49Å; V64-A127 HydrophobicContact CG2-CB 4.44Å; V124-A127 HydrophobicContact CG1-CB 3.56Å; T125-A127 VanDerWaalsContact C-N 3.26Å; T125-A127 PolarHBondContact O-N 3.15Å; A127-L220 HydrophobicContact CB-CB 4.38Å; A127-L220 HydrophobicContact CB-CD2 4.41Å
128P86.3Confident87.2Confident8 Ų866 Ų665%0.05233%0.332CS..PPolyproline II helixtrans-63.5150.8167.928.5-36000110.9V53 W55V53-P128 WeakPolarHBondContact O-CG 3.3Å; W55-P128 HydrophobicContact CD2-CG 3.59Å; W55-P128 HydrophobicContact CE3-CG 4Å; W55-P128 HydrophobicContact CG-CG 3.95Å; W55-P128 HydrophobicContact CH2-CG 4.28Å; W55-P128 WeakPolarHBondContact CH2-O 3.29Å; W55-P128 HydrophobicContact CZ2-CB 4.46Å; W55-P128 HydrophobicContact CZ2-CG 3.92Å; W55-P128 VanDerWaalsContact CZ2-O 3.23Å; W55-P128 WeakPolarHBondContact CZ2-O 3.22Å; W55-P128 HydrophobicContact CZ3-CG 4.31Å
129C88.1Confident86.5Confident11 Ų1168.2 Ų68.27%0.07434%0.344CS..PPolyproline II helixtrans-75.4149.2172.4-88.50000109.5C49 D51 W131C49-C129 HydrophobicContact CB-CB 3.61Å; C49-C129 VanDerWaalsContact CB-N 3.29Å; C49-C129 WeakPolarHBondContact CB-SG 3.49Å; C49-C129 WeakPolarHBondContact SG-CA 3.41Å; C49-C129 WeakPolarHBondContact SG-CB 3.5Å; C49-C129 PolarHBondContact SG-N 2.78Å; C49-C129 VanDerWaalsContact SG-N 3.37Å; C49-C129 CovalentContact SG-SG 2.03Å; C49-C129 PolarHBondContact SG-SG 3.03Å; D51-C129 PolarHBondContact OD1-N 3.32Å; C129-W131 VanDerWaalsContact C-N 3.28Å; C129-W131 PolarHBondContact O-N 3.44Å
130L88Confident85.9Confident99 Ų9965.7 Ų65.752%0.51834%0.34SS..SBendtrans-64.8-40.2171.5-174.866.3000110.6L218 L223L130-L218 HydrophobicContact CD2-CD2 4.05Å; L130-L218 PolarHBondContact N-O 2.84Å; L130-L223 HydrophobicContact CD2-CD1 4.33Å; L130-L223 HydrophobicContact CD2-CD2 4.33Å
131W86.9Confident85.5Confident91 Ų9166.7 Ų66.735%0.34534%0.342SS..EExtended strand (participates in β ladder)trans-153.5151.7169.766.1-65.4000110C129 V133 F142 L215 A217 L218C129-W131 VanDerWaalsContact C-N 3.28Å; C129-W131 PolarHBondContact O-N 3.44Å; W131-V133 HydrophobicContact CE3-CG2 3.76Å; W131-V133 HydrophobicContact CZ3-CG2 3.61Å; W131-F142 AromaticContact CH2-CE1 3.31Å; W131-F142 HydrophobicContact CH2-CE1 3.31Å; W131-F142 AromaticContact CH2-CZ 3.42Å; W131-F142 HydrophobicContact CH2-CZ 3.42Å; W131-F142 VanDerWaalsContact CH2-CZ 3.42Å; W131-F142 HydrophobicContact CZ3-CD1 4.28Å; W131-F142 AromaticContact CZ3-CE1 3.36Å; W131-F142 HydrophobicContact CZ3-CE1 3.36Å; W131-F142 AromaticContact CZ3-CZ 3.63Å; W131-F142 HydrophobicContact CZ3-CZ 3.63Å; W131-L215 WeakPolarHBondContact CH2-O 3.45Å; W131-L215 WeakPolarHBondContact CZ2-O 3.34Å; W131-A217 WeakPolarHBondContact O-CA 3.36Å; W131-L218 HydrophobicContact CG-CB 4.46Å; W131-L218 PolarHBondContact O-N 3.02Å
132S86.3Confident85.2Confident31 Ų3167.9 Ų67.922%0.21735%0.348CS..EExtended strand (participates in β ladder)trans-150.6122.8175.8-176.40000109.1R134S132-R134 PolarHBondContact O-N 3.27Å; S132-R134 WeakPolarHBondContact OG-CG 3.19Å; S132-R134 PolarHBondContact OG-NE 3.39Å
133V84.8Confident85Confident31 Ų3165.4 Ų65.419%0.18834%0.337CS..  trans-86.393.8179.4-176.10000109.6W131 W138 F142 P216W131-V133 HydrophobicContact CE3-CG2 3.76Å; W131-V133 HydrophobicContact CZ3-CG2 3.61Å; V133-W138 HydrophobicContact CG1-CB 3.62Å; V133-F142 HydrophobicContact CB-CB 4.49Å; V133-F142 HydrophobicContact CB-CD1 4.02Å; V133-F142 HydrophobicContact CB-CG 4.46Å; V133-F142 HydrophobicContact CG1-CB 4.05Å; V133-F142 HydrophobicContact CG1-CD1 4.42Å; V133-F142 HydrophobicContact CG1-CG 4.37Å; V133-F142 HydrophobicContact CG2-CD1 3.62Å; V133-F142 HydrophobicContact CG2-CE1 3.99Å; V133-F142 HydrophobicContact CG2-CG 4.17Å; V133-P216 PolarHBondContact N-O 3.22Å; V133-P216 VanDerWaalsContact N-O 3.13Å
134R79.1Confident84.9Confident99 Ų9967 Ų6737%0.37434%0.342SS..  trans-107.6-13.5-177.5-55.7-176.9-170.7-98.88.6114.6D51 S132D51-R134 IonicContact OD1-NH2 2.71Å; D51-R134 IonicContact OD2-CZ 2.81Å; D51-R134 VanDerWaalsContact OD2-CZ 3.31Å; D51-R134 IonicContact OD2-NE 3.58Å; D51-R134 PolarHBondContact OD2-NE 3.32Å; D51-R134 IonicContact OD2-NH2 3.74Å; D51-R134 PolarHBondContact OD2-NH2 3.37Å; S132-R134 PolarHBondContact O-N 3.27Å; S132-R134 WeakPolarHBondContact OG-CG 3.19Å; S132-R134 PolarHBondContact OG-NE 3.39Å
135N81.5Confident85.1Confident130 Ų13071 Ų7170%0.69536%0.363SS*.SBendtrans-79.5133.8-174-63.8-26.7000111.9W138 N139N135-W138 WeakPolarHBondContact O-CA 3.38Å; N135-W138 PolarHBondContact O-N 3.26Å; N135-N139 PolarHBondContact O-N 3.49Å
136A81.4Confident85.4Confident83 Ų8368.2 Ų68.269%0.68635%0.345SS*.THydrogen-bonded Turntrans-68.4141.9172.200000110.9
137P83.7Confident85.8Confident74 Ų7468 Ų6848%0.48134%0.344SS..THydrogen-bonded Turncis-89.1-01.637.2-36.5000114.1N139 T140 W141P137-N139 VanDerWaalsContact C-N 3.25Å; P137-N139 PolarHBondContact O-N 2.86Å; P137-N139 PolarHBondContact O-OD1 3.24Å; P137-T140 PolarHBondContact O-N 3.39Å; P137-W141 VanDerWaalsContact O-CD1 3.24Å
138W85.1Confident86.1Confident157 Ų15771.7 Ų71.760%0.59537%0.366SS*.Hα-helixtrans-68.4-21.9-172.9-65.2107.9000114.1V133 N135 T140 W141 F142V133-W138 HydrophobicContact CG1-CB 3.62Å; N135-W138 WeakPolarHBondContact O-CA 3.38Å; N135-W138 PolarHBondContact O-N 3.26Å; W138-T140 PolarHBondContact O-N 2.85Å; W138-T140 VanDerWaalsContact O-N 3.14Å; W138-W141 HydrophobicContact CE3-CB 4.32Å; W138-W141 PolarHBondContact O-N 2.9Å; W138-F142 WeakPolarHBondContact O-CB 3.44Å; W138-F142 PolarHBondContact O-N 2.89Å
139N80.5Confident86.4Confident66 Ų6674.2 Ų74.235%0.35338%0.379SS..Hα-helixtrans-53.9-28.1172.167.6-25.1000113.6N135 P137 P143N135-N139 PolarHBondContact O-N 3.49Å; P137-N139 VanDerWaalsContact C-N 3.25Å; P137-N139 PolarHBondContact O-N 2.86Å; P137-N139 PolarHBondContact O-OD1 3.24Å; N139-P143 VanDerWaalsContact O-CD 3.27Å; N139-P143 WeakPolarHBondContact O-CD 3.37Å; N139-P143 VanDerWaalsContact O-CG 3.24Å; N139-P143 WeakPolarHBondContact O-CG 3.22Å
140T81.8Confident86.7Confident93 Ų9373.8 Ų73.857%0.57138%0.376SS*.Hα-helixtrans-99.7-46.2176.8-550000112.4P137 W138 P143 L144P137-T140 PolarHBondContact O-N 3.39Å; W138-T140 PolarHBondContact O-N 2.85Å; W138-T140 VanDerWaalsContact O-N 3.14Å; T140-P143 WeakPolarHBondContact O-CD 3.24Å; T140-L144 PolarHBondContact O-N 3.1Å
141W87Confident86.9Confident162 Ų16275.8 Ų75.861%0.61438%0.38SS*.Hα-helixtrans-70.3-35.9-174-68.5109.8000113.2P137 W138 L144 L145P137-W141 VanDerWaalsContact O-CD1 3.24Å; W138-W141 HydrophobicContact CE3-CB 4.32Å; W138-W141 PolarHBondContact O-N 2.9Å; W141-L144 HydrophobicContact CE3-CD2 4.23Å; W141-L144 HydrophobicContact CZ3-CD2 4.27Å; W141-L144 PolarHBondContact O-N 2.95Å; W141-L145 PolarHBondContact O-N 2.95Å
142F88.2Confident87.3Confident37 Ų3775.8 Ų75.816%0.16239%0.387CS..Hα-helixtrans-70.3-46.8-176.8-168.6-104.4000112.7W131 V133 W138 L144 L145 C146 P216W131-F142 AromaticContact CH2-CE1 3.31Å; W131-F142 HydrophobicContact CH2-CE1 3.31Å; W131-F142 AromaticContact CH2-CZ 3.42Å; W131-F142 HydrophobicContact CH2-CZ 3.42Å; W131-F142 VanDerWaalsContact CH2-CZ 3.42Å; W131-F142 HydrophobicContact CZ3-CD1 4.28Å; W131-F142 AromaticContact CZ3-CE1 3.36Å; W131-F142 HydrophobicContact CZ3-CE1 3.36Å; W131-F142 AromaticContact CZ3-CZ 3.63Å; W131-F142 HydrophobicContact CZ3-CZ 3.63Å; V133-F142 HydrophobicContact CB-CB 4.49Å; V133-F142 HydrophobicContact CB-CD1 4.02Å; V133-F142 HydrophobicContact CB-CG 4.46Å; V133-F142 HydrophobicContact CG1-CB 4.05Å; V133-F142 HydrophobicContact CG1-CD1 4.42Å; V133-F142 HydrophobicContact CG1-CG 4.37Å; V133-F142 HydrophobicContact CG2-CD1 3.62Å; V133-F142 HydrophobicContact CG2-CE1 3.99Å; V133-F142 HydrophobicContact CG2-CG 4.17Å; W138-F142 WeakPolarHBondContact O-CB 3.44Å; W138-F142 PolarHBondContact O-N 2.89Å; F142-L144 VanDerWaalsContact C-N 3.27Å; F142-L144 PolarHBondContact O-N 3.5Å; F142-L145 WeakPolarHBondContact O-CB 3.33Å; F142-L145 PolarHBondContact O-N 2.99Å; F142-C146 PolarHBondContact O-N 3.43Å; F142-C146 PolarHBondContact O-SG 3.36Å; F142-P216 HydrophobicContact CD1-CB 4.25Å
143P87.1Confident87.7Confident5 Ų575 Ų753%0.03238%0.381CS..Hα-helixtrans-59.1-35.7172.2-25.735.9000113.8N41 N139 T140 C146 F147 P216N41-P143 VanDerWaalsContact ND2-CG 3.28Å; N41-P143 WeakPolarHBondContact ND2-CG 3.36Å; N139-P143 VanDerWaalsContact O-CD 3.27Å; N139-P143 WeakPolarHBondContact O-CD 3.37Å; N139-P143 VanDerWaalsContact O-CG 3.24Å; N139-P143 WeakPolarHBondContact O-CG 3.22Å; T140-P143 WeakPolarHBondContact O-CD 3.24Å; P143-C146 PolarHBondContact O-N 2.91Å; P143-F147 WeakPolarHBondContact O-CB 3.45Å; P143-F147 PolarHBondContact O-N 3.46Å; P143-P216 HydrophobicContact CB-CB 4.24Å; P143-P216 HydrophobicContact CG-CB 3.86Å
144L87.7Confident88.1Confident91 Ų9175 Ų7548%0.47638%0.377SS..Hα-helixtrans-64.9-40.8176.6-175.468000111.9T140 W141 F142 F147 T148T140-L144 PolarHBondContact O-N 3.1Å; W141-L144 HydrophobicContact CE3-CD2 4.23Å; W141-L144 HydrophobicContact CZ3-CD2 4.27Å; W141-L144 PolarHBondContact O-N 2.95Å; F142-L144 VanDerWaalsContact C-N 3.27Å; F142-L144 PolarHBondContact O-N 3.5Å; L144-F147 PolarHBondContact O-N 2.89Å; L144-T148 WeakPolarHBondContact O-CB 3.46Å; L144-T148 PolarHBondContact O-N 3.12Å; L144-T148 PolarHBondContact O-OG1 2.72Å
145L91.1Very high88.8Confident88 Ų8873 Ų7346%0.46138%0.379SS..Hα-helixtrans-62.8-48.9173.9177.963.6000111.1W141 F142 F147 T148 L149W141-L145 PolarHBondContact O-N 2.95Å; F142-L145 WeakPolarHBondContact O-CB 3.33Å; F142-L145 PolarHBondContact O-N 2.99Å; L145-F147 VanDerWaalsContact C-N 3.32Å; L145-F147 PolarHBondContact O-N 3.4Å; L145-T148 PolarHBondContact O-N 3Å; L145-L149 HydrophobicContact CD1-CD1 3.85Å; L145-L149 HydrophobicContact CD1-CG 4.23Å; L145-L149 HydrophobicContact CG-CD1 4Å; L145-L149 WeakPolarHBondContact O-CB 3.37Å; L145-L149 PolarHBondContact O-N 3.32Å
146C91.2Very high89.3Confident0 Ų070 Ų700%036%0.362CS..Hα-helixtrans-55.3-46.5175-70.20000111.4F142 P143 L149 H150F142-C146 PolarHBondContact O-N 3.43Å; F142-C146 PolarHBondContact O-SG 3.36Å; P143-C146 PolarHBondContact O-N 2.91Å; C146-L149 PolarHBondContact O-N 2.95Å; C146-H150 VanDerWaalsContact O-CB 3.3Å; C146-H150 WeakPolarHBondContact O-CB 3.24Å; C146-H150 PolarHBondContact O-CD2 3.24Å; C146-H150 VanDerWaalsContact O-CG 3.3Å; C146-H150 PolarHBondContact O-N 3.47Å
147F90.3Very high89.7Confident72 Ų7266.5 Ų66.532%0.31633%0.331SS..Hα-helixtrans-60-47177.4178-96.4000112.6F35 I38 P143 L144 L145 L149 H150 F151F35-F147 HydrophobicContact CE1-CE2 4.41Å; I38-F147 HydrophobicContact CD1-CB 4.2Å; I38-F147 HydrophobicContact CD1-CD2 4.4Å; I38-F147 HydrophobicContact CG2-CB 4.21Å; I38-F147 HydrophobicContact CG2-CD2 4.33Å; P143-F147 WeakPolarHBondContact O-CB 3.45Å; P143-F147 PolarHBondContact O-N 3.46Å; L144-F147 PolarHBondContact O-N 2.89Å; L145-F147 VanDerWaalsContact C-N 3.32Å; L145-F147 PolarHBondContact O-N 3.4Å; F147-L149 PolarHBondContact O-N 3.32Å; F147-H150 PolarHBondContact O-N 2.9Å; F147-F151 WeakPolarHBondContact O-CB 3.31Å; F147-F151 PolarHBondContact O-N 3.37Å
148T91.8Very high90.1Very high78 Ų7866.1 Ų66.148%0.47933%0.33SS..Hα-helixtrans-62.5-44.7-179.6-55.80000111.1L144 L145 F151 L152L144-T148 WeakPolarHBondContact O-CB 3.46Å; L144-T148 PolarHBondContact O-N 3.12Å; L144-T148 PolarHBondContact O-OG1 2.72Å; L145-T148 PolarHBondContact O-N 3Å; T148-F151 PolarHBondContact O-N 2.98Å; T148-L152 WeakPolarHBondContact O-CB 3.47Å; T148-L152 PolarHBondContact O-N 3.42Å
149L93.4Very high90.3Very high60 Ų6061.4 Ų61.431%0.31432%0.321SS..Hα-helixtrans-68.6-40.3178.3-73.8172.2000111.9L145 C146 F147 F151 L152 C153 L214L145-L149 HydrophobicContact CD1-CD1 3.85Å; L145-L149 HydrophobicContact CD1-CG 4.23Å; L145-L149 HydrophobicContact CG-CD1 4Å; L145-L149 WeakPolarHBondContact O-CB 3.37Å; L145-L149 PolarHBondContact O-N 3.32Å; C146-L149 PolarHBondContact O-N 2.95Å; F147-L149 PolarHBondContact O-N 3.32Å; L149-F151 PolarHBondContact O-N 3.37Å; L149-L152 PolarHBondContact O-N 2.87Å; L149-C153 WeakPolarHBondContact O-CB 3.45Å; L149-C153 PolarHBondContact O-N 3.32Å; L149-C153 PolarHBondContact O-SG 3.4Å; L149-L214 HydrophobicContact CB-CD2 3.57Å; L149-L214 HydrophobicContact CD1-CD2 3.44Å; L149-L214 VanDerWaalsContact CD1-CD2 3.44Å; L149-L214 HydrophobicContact CG-CD2 4.14Å
150H93.1Very high90.6Very high3 Ų359.6 Ų59.61%0.01431%0.311CS..Hα-helixtrans-59.8-46.5172.9-80.8-149.8000111.5S34 I38 C146 F147 L152 C153 W154 V211 L214S34-H150 WeakPolarHBondContact CB-ND1 3.44Å; S34-H150 PolarHBondContact OG-ND1 2.93Å; S34-H150 VanDerWaalsContact OG-ND1 3.1Å; I38-H150 HydrophobicContact CD1-CB 4.43Å; C146-H150 VanDerWaalsContact O-CB 3.3Å; C146-H150 WeakPolarHBondContact O-CB 3.24Å; C146-H150 PolarHBondContact O-CD2 3.24Å; C146-H150 VanDerWaalsContact O-CG 3.3Å; C146-H150 PolarHBondContact O-N 3.47Å; F147-H150 PolarHBondContact O-N 2.9Å; H150-L152 VanDerWaalsContact C-N 3.33Å; H150-L152 PolarHBondContact O-N 2.91Å; H150-C153 PolarHBondContact O-N 3.2Å; H150-W154 PolarHBondContact O-N 3.29Å; H150-V211 PolarHBondContact CE1-O 2.9Å; H150-V211 PolarHBondContact NE2-O 2.98Å; H150-L214 PolarHBondContact NE2-O 3.38Å
151F93.3Very high90.8Very high141 Ų14157.8 Ų57.862%0.61830%0.298SS*.Hα-helixtrans-58.6-45.4176.7-178.5-93.7000111.5F147 T148 L149 W154 S155F147-F151 WeakPolarHBondContact O-CB 3.31Å; F147-F151 PolarHBondContact O-N 3.37Å; T148-F151 PolarHBondContact O-N 2.98Å; L149-F151 PolarHBondContact O-N 3.37Å; F151-W154 PolarHBondContact O-N 3.07Å; F151-S155 WeakPolarHBondContact O-CB 3.36Å; F151-S155 PolarHBondContact O-N 2.91Å
152L94.4Very high90.7Very high91 Ų9156.4 Ų56.448%0.47630%0.301SS..Hα-helixtrans-61.7-47.7176.9-177.661.9000111.9T148 L149 H150 W154 S155 I156T148-L152 WeakPolarHBondContact O-CB 3.47Å; T148-L152 PolarHBondContact O-N 3.42Å; L149-L152 PolarHBondContact O-N 2.87Å; H150-L152 VanDerWaalsContact C-N 3.33Å; H150-L152 PolarHBondContact O-N 2.91Å; L152-W154 PolarHBondContact O-N 3.19Å; L152-S155 WeakPolarHBondContact O-CB 3.39Å; L152-S155 PolarHBondContact O-N 3.22Å; L152-I156 HydrophobicContact CD1-CD1 4.33Å; L152-I156 HydrophobicContact CG-CD1 4.11Å; L152-I156 WeakPolarHBondContact O-CG1 3.33Å; L152-I156 PolarHBondContact O-N 3.11Å
153C94.8Very high90.4Very high13 Ų1361.1 Ų61.19%0.08833%0.327CS..Hα-helixtrans-58.9-45.9176.9-72.70000111.7L149 H150 S155 I156 I157 E207 V211L149-C153 WeakPolarHBondContact O-CB 3.45Å; L149-C153 PolarHBondContact O-N 3.32Å; L149-C153 PolarHBondContact O-SG 3.4Å; H150-C153 PolarHBondContact O-N 3.2Å; C153-S155 PolarHBondContact O-N 2.91Å; C153-I156 PolarHBondContact O-N 3.11Å; C153-I157 VanDerWaalsContact O-CG1 3.25Å; C153-I157 WeakPolarHBondContact O-CG1 3.35Å; C153-I157 PolarHBondContact O-N 2.76Å; C153-E207 HydrophobicContact CB-CB 4.1Å; C153-V211 HydrophobicContact CB-CG2 3.47Å; C153-V211 VanDerWaalsContact CB-CG2 3.47Å
154W94.1Very high90Very high32 Ų3263.1 Ų63.112%0.12134%0.335CS..Hα-helixtrans-64.7-38.2176.3-75.1119000112.9F29 V30 S34 H150 F151 L152 I156 I157 C158 V211F29-W154 AromaticContact CD1-CH2 3.85Å; F29-W154 HydrophobicContact CD1-CH2 3.85Å; F29-W154 HydrophobicContact CE1-CH2 4.03Å; V30-W154 HydrophobicContact CB-CD2 4.47Å; V30-W154 HydrophobicContact CB-CZ2 4.21Å; V30-W154 HydrophobicContact CG1-CD2 4.15Å; V30-W154 HydrophobicContact CG1-CG 4.24Å; V30-W154 HydrophobicContact CG1-CZ2 4.41Å; V30-W154 HydrophobicContact CG2-CD2 3.75Å; V30-W154 HydrophobicContact CG2-CE3 3.63Å; V30-W154 HydrophobicContact CG2-CH2 3.73Å; V30-W154 HydrophobicContact CG2-CZ2 3.84Å; V30-W154 HydrophobicContact CG2-CZ3 3.63Å; S34-W154 PolarHBondContact OG-NE1 3.35Å; H150-W154 PolarHBondContact O-N 3.29Å; F151-W154 PolarHBondContact O-N 3.07Å; L152-W154 PolarHBondContact O-N 3.19Å; W154-I156 VanDerWaalsContact C-N 3.3Å; W154-I156 PolarHBondContact O-N 3.02Å; W154-I157 HydrophobicContact CD2-CD1 4.28Å; W154-I157 HydrophobicContact CE3-CB 4.24Å; W154-I157 HydrophobicContact CE3-CD1 3.66Å; W154-I157 HydrophobicContact CE3-CG2 4.16Å; W154-I157 HydrophobicContact CZ3-CD1 3.84Å; W154-I157 HydrophobicContact CZ3-CG2 4.25Å; W154-I157 PolarHBondContact O-N 3.46Å; W154-C158 WeakPolarHBondContact O-CB 3.34Å; W154-C158 PolarHBondContact O-N 3.45Å; W154-C158 PolarHBondContact O-SG 3.48Å; W154-V211 HydrophobicContact CZ2-CG1 3.86Å
155S93.4Very high89.8Confident58 Ų5861.3 Ų61.341%0.40633%0.326SS..Hα-helixtrans-60.4-41.4174-173.30000111.6F151 L152 C153 S159F151-S155 WeakPolarHBondContact O-CB 3.36Å; F151-S155 PolarHBondContact O-N 2.91Å; L152-S155 WeakPolarHBondContact O-CB 3.39Å; L152-S155 PolarHBondContact O-N 3.22Å; C153-S155 PolarHBondContact O-N 2.91Å; S155-S159 WeakPolarHBondContact O-CB 3.44Å; S155-S159 PolarHBondContact O-N 2.97Å; S155-S159 PolarHBondContact O-OG 2.68Å
156I91.4Very high89.3Confident65 Ų6558.8 Ų58.833%0.33331%0.311SS..Hα-helixtrans-66.4-47.4175.9-65.9165.7000110.4L152 C153 W154 C158 S159 I160 E207L152-I156 HydrophobicContact CD1-CD1 4.33Å; L152-I156 HydrophobicContact CG-CD1 4.11Å; L152-I156 WeakPolarHBondContact O-CG1 3.33Å; L152-I156 PolarHBondContact O-N 3.11Å; C153-I156 PolarHBondContact O-N 3.11Å; W154-I156 VanDerWaalsContact C-N 3.3Å; W154-I156 PolarHBondContact O-N 3.02Å; I156-C158 PolarHBondContact O-N 3.38Å; I156-S159 WeakPolarHBondContact O-CB 3.33Å; I156-S159 PolarHBondContact O-N 3.12Å; I156-S159 VanDerWaalsContact O-N 3.11Å; I156-I160 HydrophobicContact CG2-CD1 3.79Å; I156-I160 HydrophobicContact CG2-CG1 4.38Å; I156-I160 WeakPolarHBondContact O-CG1 3.37Å; I156-I160 PolarHBondContact O-N 2.94Å; I156-E207 HydrophobicContact CB-CG 4.14Å; I156-E207 HydrophobicContact CG2-CG 3.79Å; I156-E207 WeakPolarHBondContact CG2-OE1 3.29Å
157I91.4Very high88.9Confident10 Ų1061.1 Ų61.15%0.05133%0.326CS..Hα-helixtrans-55.1-50.8176.6-69.3168.4000110.7C153 W154 S159 I160 L161 V204 E207C153-I157 VanDerWaalsContact O-CG1 3.25Å; C153-I157 WeakPolarHBondContact O-CG1 3.35Å; C153-I157 PolarHBondContact O-N 2.76Å; W154-I157 HydrophobicContact CD2-CD1 4.28Å; W154-I157 HydrophobicContact CE3-CB 4.24Å; W154-I157 HydrophobicContact CE3-CD1 3.66Å; W154-I157 HydrophobicContact CE3-CG2 4.16Å; W154-I157 HydrophobicContact CZ3-CD1 3.84Å; W154-I157 HydrophobicContact CZ3-CG2 4.25Å; W154-I157 PolarHBondContact O-N 3.46Å; I157-S159 VanDerWaalsContact C-N 3.3Å; I157-S159 PolarHBondContact O-N 3.22Å; I157-I160 PolarHBondContact O-N 3.37Å; I157-L161 HydrophobicContact CG2-CD1 4.17Å; I157-L161 HydrophobicContact CG2-CG 4.48Å; I157-L161 WeakPolarHBondContact O-CG 3.45Å; I157-L161 PolarHBondContact O-N 3.09Å; I157-V204 HydrophobicContact CB-CG1 4.41Å; I157-V204 HydrophobicContact CG1-CB 4.1Å; I157-V204 HydrophobicContact CG1-CG1 4.17Å; I157-V204 HydrophobicContact CG2-CG1 4.19Å; I157-E207 HydrophobicContact CD1-CB 3.71Å; I157-E207 HydrophobicContact CG1-CB 3.56Å; I157-E207 HydrophobicContact CG1-CG 4.18Å
158C90.4Very high88.5Confident67 Ų6758 Ų5845%0.45331%0.312SS..Hα-helixtrans-59.9-41177.8-72.30000111.8W154 I156 L161 L162W154-C158 WeakPolarHBondContact O-CB 3.34Å; W154-C158 PolarHBondContact O-N 3.45Å; W154-C158 PolarHBondContact O-SG 3.48Å; I156-C158 PolarHBondContact O-N 3.38Å; C158-L161 PolarHBondContact O-N 2.61Å; C158-L162 WeakPolarHBondContact O-CG 3.46Å; C158-L162 PolarHBondContact O-N 3.36Å
159S89.3Confident88Confident57 Ų5757.1 Ų57.140%0.39930%0.304SS..Hα-helixtrans-62.9-44.1176.9-58.60000111.7S155 I156 I157 L162 I163S155-S159 WeakPolarHBondContact O-CB 3.44Å; S155-S159 PolarHBondContact O-N 2.97Å; S155-S159 PolarHBondContact O-OG 2.68Å; I156-S159 WeakPolarHBondContact O-CB 3.33Å; I156-S159 PolarHBondContact O-N 3.12Å; I156-S159 VanDerWaalsContact O-N 3.11Å; I157-S159 VanDerWaalsContact C-N 3.3Å; I157-S159 PolarHBondContact O-N 3.22Å; S159-L162 PolarHBondContact O-N 3.26Å; S159-I163 VanDerWaalsContact O-CG1 3.28Å; S159-I163 WeakPolarHBondContact O-CG1 3.37Å; S159-I163 PolarHBondContact O-N 3Å
160I86.8Confident87.5Confident29 Ų2954.7 Ų54.715%0.14929%0.291CS..Hα-helixtrans-61.5-45.5175.4-68.1167.3000110.1I156 I157 L162 I163 F164 P203 V204I156-I160 HydrophobicContact CG2-CD1 3.79Å; I156-I160 HydrophobicContact CG2-CG1 4.38Å; I156-I160 WeakPolarHBondContact O-CG1 3.37Å; I156-I160 PolarHBondContact O-N 2.94Å; I157-I160 PolarHBondContact O-N 3.37Å; I160-L162 VanDerWaalsContact C-N 3.28Å; I160-L162 PolarHBondContact O-N 3.14Å; I160-I163 PolarHBondContact O-N 3.25Å; I160-F164 HydrophobicContact CG2-CD2 3.76Å; I160-F164 HydrophobicContact CG2-CE2 3.93Å; I160-F164 WeakPolarHBondContact O-CB 3.23Å; I160-F164 VanDerWaalsContact O-CD2 3.24Å; I160-F164 WeakPolarHBondContact O-CD2 3.34Å; I160-F164 PolarHBondContact O-N 3.31Å; I160-P203 HydrophobicContact CG2-CB 4.03Å; I160-P203 HydrophobicContact CG2-CG 4.22Å; I160-V204 HydrophobicContact CB-CG1 4.13Å; I160-V204 HydrophobicContact CD1-CG1 4Å; I160-V204 HydrophobicContact CG2-CG1 3.87Å
161L85.9Confident86.9Confident55 Ų5554.5 Ų54.529%0.28829%0.291SS..Hα-helixtrans-58.9-39.1177.7-69.9175.7000112.4I157 C158 D165 Y166 L169I157-L161 HydrophobicContact CG2-CD1 4.17Å; I157-L161 HydrophobicContact CG2-CG 4.48Å; I157-L161 WeakPolarHBondContact O-CG 3.45Å; I157-L161 PolarHBondContact O-N 3.09Å; C158-L161 PolarHBondContact O-N 2.61Å; L161-D165 PolarHBondContact O-N 3.45Å; L161-Y166 HydrophobicContact CB-CD2 4.08Å; L161-Y166 HydrophobicContact CD1-CD2 4.38Å; L161-Y166 HydrophobicContact CD1-CE2 4.3Å; L161-Y166 HydrophobicContact CD2-CD2 4.33Å; L161-Y166 WeakPolarHBondContact O-CB 3.25Å; L161-Y166 PolarHBondContact O-N 3.03Å; L161-Y166 VanDerWaalsContact O-N 3.12Å; L161-L169 HydrophobicContact CD2-CD1 4.15Å
162L85.4Confident86.5Confident132 Ų13250 Ų5069%0.69127%0.272SS*.Hα-helixtrans-68.1-43.6175.1-68175.7000112.1C158 S159 I160 F164 D165C158-L162 WeakPolarHBondContact O-CG 3.46Å; C158-L162 PolarHBondContact O-N 3.36Å; S159-L162 PolarHBondContact O-N 3.26Å; I160-L162 VanDerWaalsContact C-N 3.28Å; I160-L162 PolarHBondContact O-N 3.14Å; L162-F164 PolarHBondContact O-N 3.23Å; L162-D165 PolarHBondContact O-N 3.27Å; L162-D165 VanDerWaalsContact O-N 3.1Å
163I82.9Confident86Confident137 Ų13747.8 Ų47.870%0.70326%0.259SS*.Hα-helixtrans-60.3-36.8176.8-70164.9000111.2S159 I160 D165S159-I163 VanDerWaalsContact O-CG1 3.28Å; S159-I163 WeakPolarHBondContact O-CG1 3.37Å; S159-I163 PolarHBondContact O-N 3Å; I160-I163 PolarHBondContact O-N 3.25Å; I163-D165 PolarHBondContact O-N 2.93Å
164F78.8Confident85.5Confident46 Ų4648.1 Ų48.120%0.20226%0.259CS..THydrogen-bonded Turntrans-81.48.7179.6-83.9-108.8000114I160 L162 L169 F197 L200 P203I160-F164 HydrophobicContact CG2-CD2 3.76Å; I160-F164 HydrophobicContact CG2-CE2 3.93Å; I160-F164 WeakPolarHBondContact O-CB 3.23Å; I160-F164 VanDerWaalsContact O-CD2 3.24Å; I160-F164 WeakPolarHBondContact O-CD2 3.34Å; I160-F164 PolarHBondContact O-N 3.31Å; L162-F164 PolarHBondContact O-N 3.23Å; F164-L169 HydrophobicContact CB-CD1 4.02Å; F164-F197 HydrophobicContact CD1-CD1 4.06Å; F164-F197 AromaticContact CD1-CE1 3.43Å; F164-F197 HydrophobicContact CD1-CE1 3.43Å; F164-F197 VanDerWaalsContact CD1-CE1 3.43Å; F164-F197 HydrophobicContact CD1-CZ 4.48Å; F164-F197 AromaticContact CE1-CD1 3.82Å; F164-F197 HydrophobicContact CE1-CD1 3.82Å; F164-F197 AromaticContact CE1-CE1 3.35Å; F164-F197 HydrophobicContact CE1-CE1 3.35Å; F164-F197 HydrophobicContact CE1-CZ 4.41Å; F164-F197 HydrophobicContact CG-CE1 4.49Å; F164-F197 HydrophobicContact CZ-CE1 4.4Å; F164-L200 HydrophobicContact CE1-CD2 3.57Å; F164-L200 HydrophobicContact CZ-CD2 3.44Å; F164-L200 VanDerWaalsContact CZ-CD2 3.44Å; F164-P203 HydrophobicContact CE2-CB 4.45Å; F164-P203 HydrophobicContact CZ-CB 4.21Å
165D82Confident84.9Confident54 Ų5446.7 Ų46.729%0.28925%0.254SS..THydrogen-bonded Turntrans58.976.3-177.3-167.4-5.4000111.1L161 L162 I163 P167 E168 L169 K173L161-D165 PolarHBondContact O-N 3.45Å; L162-D165 PolarHBondContact O-N 3.27Å; L162-D165 VanDerWaalsContact O-N 3.1Å; I163-D165 PolarHBondContact O-N 2.93Å; D165-P167 VanDerWaalsContact C-N 3.33Å; D165-P167 WeakPolarHBondContact OD1-CD 3.13Å; D165-E168 HydrophobicContact CB-CB 3.91Å; D165-E168 WeakPolarHBondContact O-CA 3.21Å; D165-E168 VanDerWaalsContact O-CB 3.26Å; D165-E168 WeakPolarHBondContact O-CB 3.43Å; D165-E168 PolarHBondContact O-N 2.99Å; D165-L169 PolarHBondContact O-N 3.45Å; D165-L169 VanDerWaalsContact O-N 3.09Å; D165-K173 IonicContact OD2-NZ 3.71Å; D165-K173 PolarHBondContact OD2-NZ 3.11Å
166Y82Confident84.5Confident35 Ų3550.4 Ų50.414%0.13726%0.26CS..Hα-helixtrans-48.6-43.2-177.7-175.8-109.6000114.3F19 F23 L161 E168 L169 L170F19-Y166 HydrophobicContact CD2-CD1 4.47Å; F19-Y166 HydrophobicContact CD2-CE1 4.25Å; F19-Y166 AromaticContact CE2-CD1 3.49Å; F19-Y166 HydrophobicContact CE2-CD1 3.49Å; F19-Y166 VanDerWaalsContact CE2-CD1 3.49Å; F19-Y166 AromaticContact CE2-CE1 3.51Å; F19-Y166 HydrophobicContact CE2-CE1 3.51Å; F19-Y166 AromaticContact CZ-CD1 3.91Å; F19-Y166 HydrophobicContact CZ-CD1 3.91Å; F19-Y166 AromaticContact CZ-CE1 3.79Å; F19-Y166 HydrophobicContact CZ-CE1 3.79Å; F23-Y166 AromaticContact CD2-CE1 3.93Å; F23-Y166 HydrophobicContact CD2-CE1 3.93Å; L161-Y166 HydrophobicContact CB-CD2 4.08Å; L161-Y166 HydrophobicContact CD1-CD2 4.38Å; L161-Y166 HydrophobicContact CD1-CE2 4.3Å; L161-Y166 HydrophobicContact CD2-CD2 4.33Å; L161-Y166 WeakPolarHBondContact O-CB 3.25Å; L161-Y166 PolarHBondContact O-N 3.03Å; L161-Y166 VanDerWaalsContact O-N 3.12Å; Y166-E168 VanDerWaalsContact C-N 3.32Å; Y166-E168 PolarHBondContact O-N 3.41Å; Y166-L169 WeakPolarHBondContact O-CB 3.38Å; Y166-L169 PolarHBondContact O-N 3.45Å; Y166-L170 HydrophobicContact CD1-CD1 3.93Å; Y166-L170 HydrophobicContact CE1-CD1 3.3Å; Y166-L170 HydrophobicContact CE1-CG 4.25Å; Y166-L170 HydrophobicContact CE2-CD1 4.01Å; Y166-L170 HydrophobicContact CE2-CD2 4.46Å; Y166-L170 HydrophobicContact CE2-CG 4.23Å; Y166-L170 HydrophobicContact CG-CD1 4.49Å; Y166-L170 WeakPolarHBondContact O-CG 3.28Å; Y166-L170 PolarHBondContact O-N 3.27Å; Y166-L170 VanDerWaalsContact O-N 3.08Å
167P82.5Confident84.1Confident48 Ų4849.7 Ų49.731%0.31225%0.254SS..Hα-helixtrans-58.2-35.4170.8-26.335.1000115.1F19 D165 L170 G171 I172F19-P167 HydrophobicContact CE2-CG 4.5Å; D165-P167 VanDerWaalsContact C-N 3.33Å; D165-P167 WeakPolarHBondContact OD1-CD 3.13Å; P167-L170 PolarHBondContact O-N 2.92Å; P167-G171 PolarHBondContact O-N 3.43Å; P167-I172 HydrophobicContact CB-CB 4.17Å; P167-I172 HydrophobicContact CB-CD1 4.42Å; P167-I172 PolarHBondContact O-N 3.39Å
168E82.5Confident83.6Confident6 Ų653.3 Ų53.33%0.02827%0.27CS..Hα-helixtrans-69.3-36.8174.9-171.6-179.1143.500112R103 D165 Y166 L170 K173 Q174 K189R103-E168 VanDerWaalsContact CD-O 3.31Å; R103-E168 WeakPolarHBondContact CD-O 3.46Å; R103-E168 PolarHBondContact NH1-O 3.24Å; D165-E168 HydrophobicContact CB-CB 3.91Å; D165-E168 WeakPolarHBondContact O-CA 3.21Å; D165-E168 VanDerWaalsContact O-CB 3.26Å; D165-E168 WeakPolarHBondContact O-CB 3.43Å; D165-E168 PolarHBondContact O-N 2.99Å; Y166-E168 VanDerWaalsContact C-N 3.32Å; Y166-E168 PolarHBondContact O-N 3.41Å; E168-L170 VanDerWaalsContact C-N 3.31Å; E168-K173 HydrophobicContact CB-CB 4.05Å; E168-K173 HydrophobicContact CB-CD 3.73Å; E168-K173 HydrophobicContact CG-CB 4.22Å; E168-K173 HydrophobicContact CG-CD 3.75Å; E168-K173 WeakPolarHBondContact OE2-CD 3.25Å; E168-K173 IonicContact OE2-NZ 3.13Å; E168-K173 PolarHBondContact OE2-NZ 3.1Å; E168-Q174 PolarHBondContact O-NE2 3.34Å; E168-Q174 PolarHBondContact O-OE1 3.29Å; E168-K189 WeakPolarHBondContact OE1-CE 3.28Å; E168-K189 IonicContact OE1-NZ 2.74Å; E168-K189 PolarHBondContact OE1-NZ 3.38Å; E168-K189 IonicContact OE2-NZ 2.68Å; E168-K189 PolarHBondContact OE2-NZ 3.35Å; E168-K189 VanDerWaalsContact OE2-NZ 3.13Å
169L80.5Confident83.2Confident61 Ų6152.9 Ų52.932%0.31927%0.268SS..Hα-helixtrans-64.7-36.5174.9-67.5176.2000111.8R103 L161 F164 D165 Y166R103-L169 WeakPolarHBondContact CD-O 3.26Å; R103-L169 WeakPolarHBondContact CG-O 3.43Å; L161-L169 HydrophobicContact CD2-CD1 4.15Å; F164-L169 HydrophobicContact CB-CD1 4.02Å; D165-L169 PolarHBondContact O-N 3.45Å; D165-L169 VanDerWaalsContact O-N 3.09Å; Y166-L169 WeakPolarHBondContact O-CB 3.38Å; Y166-L169 PolarHBondContact O-N 3.45Å
170L83.4Confident82.9Confident8 Ų854.7 Ų54.74%0.04227%0.272CS..THydrogen-bonded Turntrans-86.4-3.9-176.9-66.1-172.8000115.4N18 F19 V22 C107 Y166 P167 E168N18-L170 PolarHBondContact ND2-O 3.18Å; F19-L170 HydrophobicContact CB-CD1 4.4Å; F19-L170 HydrophobicContact CD2-CB 4.29Å; F19-L170 HydrophobicContact CD2-CD1 3.29Å; F19-L170 HydrophobicContact CD2-CG 4.37Å; F19-L170 HydrophobicContact CE2-CD1 3.74Å; F19-L170 HydrophobicContact CG-CD1 4.05Å; V22-L170 HydrophobicContact CB-CD1 4.42Å; V22-L170 HydrophobicContact CB-CD2 4.06Å; V22-L170 HydrophobicContact CG1-CD1 4.43Å; V22-L170 HydrophobicContact CG1-CD2 3.51Å; V22-L170 HydrophobicContact CG2-CD2 4.46Å; C107-L170 HydrophobicContact CB-CD2 4.14Å; Y166-L170 HydrophobicContact CD1-CD1 3.93Å; Y166-L170 HydrophobicContact CE1-CD1 3.3Å; Y166-L170 HydrophobicContact CE1-CG 4.25Å; Y166-L170 HydrophobicContact CE2-CD1 4.01Å; Y166-L170 HydrophobicContact CE2-CD2 4.46Å; Y166-L170 HydrophobicContact CE2-CG 4.23Å; Y166-L170 HydrophobicContact CG-CD1 4.49Å; Y166-L170 WeakPolarHBondContact O-CG 3.28Å; Y166-L170 PolarHBondContact O-N 3.27Å; Y166-L170 VanDerWaalsContact O-N 3.08Å; P167-L170 PolarHBondContact O-N 2.92Å; E168-L170 VanDerWaalsContact C-N 3.31Å
171G80.4Confident82.4Confident0 Ų056.5 Ų56.50%030%0.298CS..THydrogen-bonded Turntrans96.8-5.1177.600000115.2P167 Q174 V175P167-G171 PolarHBondContact O-N 3.43Å; G171-Q174 PolarHBondContact O-N 3.31Å; G171-Q174 PolarHBondContact O-OE1 3.03Å; G171-V175 PolarHBondContact O-N 3.32Å
172I84.4Confident81.9Confident46 Ų4658.6 Ų58.624%0.23631%0.309CS..Hα-helixtrans-63.9-45.6-178.2-67.4-176.9000110.2A15 F19 P167 Q174 V175 Y176A15-I172 HydrophobicContact CB-CG1 4.4Å; F19-I172 HydrophobicContact CB-CD1 3.61Å; F19-I172 HydrophobicContact CB-CG1 4.22Å; F19-I172 HydrophobicContact CD1-CD1 4.5Å; F19-I172 HydrophobicContact CD2-CD1 3.26Å; F19-I172 HydrophobicContact CD2-CG1 4.21Å; F19-I172 HydrophobicContact CE2-CD1 4.03Å; F19-I172 HydrophobicContact CG-CD1 3.56Å; P167-I172 HydrophobicContact CB-CB 4.17Å; P167-I172 HydrophobicContact CB-CD1 4.42Å; P167-I172 PolarHBondContact O-N 3.39Å; I172-Q174 VanDerWaalsContact C-N 3.25Å; I172-Q174 PolarHBondContact O-N 2.91Å; I172-V175 PolarHBondContact O-N 3.32Å; I172-V175 VanDerWaalsContact O-N 3.12Å; I172-Y176 PolarHBondContact O-N 3.23Å
173K83.5Confident81.3Confident45 Ų4554 Ų5420%0.19629%0.294CS..Hα-helixtrans-63.6-35.4-175.9-164174.2-176.9173.90111.7D165 E168 Y176 Y177 P185D165-K173 IonicContact OD2-NZ 3.71Å; D165-K173 PolarHBondContact OD2-NZ 3.11Å; E168-K173 HydrophobicContact CB-CB 4.05Å; E168-K173 HydrophobicContact CB-CD 3.73Å; E168-K173 HydrophobicContact CG-CB 4.22Å; E168-K173 HydrophobicContact CG-CD 3.75Å; E168-K173 WeakPolarHBondContact OE2-CD 3.25Å; E168-K173 IonicContact OE2-NZ 3.13Å; E168-K173 PolarHBondContact OE2-NZ 3.1Å; K173-Y176 PolarHBondContact O-N 2.84Å; K173-Y177 HydrophobicContact CD-CE2 4.21Å; K173-Y177 HydrophobicContact CG-CD2 3.72Å; K173-Y177 HydrophobicContact CG-CE2 3.5Å; K173-Y177 WeakPolarHBondContact O-CB 3.44Å; K173-Y177 WeakPolarHBondContact O-CD2 3.4Å; K173-Y177 PolarHBondContact O-N 2.91Å; K173-P185 HydrophobicContact CB-CG 4.38Å; K173-P185 HydrophobicContact CD-CB 4Å; K173-P185 HydrophobicContact CD-CG 4.41Å; K173-P185 HydrophobicContact CG-CB 4.03Å; K173-P185 HydrophobicContact CG-CG 4.12Å
174Q83.9Confident81Confident20 Ų2051.7 Ų51.79%0.09328%0.283CS..Hα-helixtrans-62.1-45175.2-67.471.911.900110.3V100 E168 G171 I172 E178 P185V100-Q174 HydrophobicContact CG1-CB 3.89Å; V100-Q174 VanDerWaalsContact CG1-O 3.22Å; V100-Q174 WeakPolarHBondContact CG1-O 3.27Å; E168-Q174 PolarHBondContact O-NE2 3.34Å; E168-Q174 PolarHBondContact O-OE1 3.29Å; G171-Q174 PolarHBondContact O-N 3.31Å; G171-Q174 PolarHBondContact O-OE1 3.03Å; I172-Q174 VanDerWaalsContact C-N 3.25Å; I172-Q174 PolarHBondContact O-N 2.91Å; Q174-E178 WeakPolarHBondContact O-CB 3.5Å; Q174-E178 PolarHBondContact O-N 3.11Å; Q174-P185 HydrophobicContact CG-CG 4.02Å
175V82.8Confident80.7Confident2 Ų249.7 Ų49.71%0.01228%0.275CS..Hα-helixtrans-65.9-43.2176.1173.50000111.9L11 A15 V100 L101 G171 I172 Y177 E178 C179L11-V175 HydrophobicContact CB-CG1 3.73Å; A15-V175 HydrophobicContact CB-CB 4.2Å; A15-V175 HydrophobicContact CB-CG1 4.27Å; A15-V175 HydrophobicContact CB-CG2 4.04Å; V100-V175 HydrophobicContact CG1-CB 4.4Å; V100-V175 HydrophobicContact CG1-CG2 3.87Å; L101-V175 HydrophobicContact CD1-CG2 4.14Å; G171-V175 PolarHBondContact O-N 3.32Å; I172-V175 PolarHBondContact O-N 3.32Å; I172-V175 VanDerWaalsContact O-N 3.12Å; V175-Y177 PolarHBondContact O-N 3.4Å; V175-E178 PolarHBondContact O-N 2.84Å; V175-C179 PolarHBondContact O-N 2.87Å; V175-C179 PolarHBondContact O-SG 2.84Å; V175-C179 VanDerWaalsContact O-SG 3.34Å
176Y83.9Confident80.2Confident135 Ų13549 Ų4953%0.52927%0.271SS..Hα-helixtrans-60.9-45.5177.3177.6-107.8000112.1I172 K173 C179 L180I172-Y176 PolarHBondContact O-N 3.23Å; K173-Y176 PolarHBondContact O-N 2.84Å; Y176-C179 PolarHBondContact O-N 2.97Å; Y176-L180 HydrophobicContact CD1-CD1 4.09Å; Y176-L180 HydrophobicContact CD2-CD1 4.46Å; Y176-L180 HydrophobicContact CE1-CD1 3.45Å; Y176-L180 VanDerWaalsContact CE1-CD1 3.45Å; Y176-L180 HydrophobicContact CE2-CD1 3.88Å; Y176-L180 HydrophobicContact CE2-CG 4.43Å; Y176-L180 WeakPolarHBondContact O-CG 3.39Å; Y176-L180 PolarHBondContact O-N 2.64Å; Y176-L180 VanDerWaalsContact O-N 3.17Å; Y176-L180 WeakPolarHBondContact OH-CD1 3.45Å
177Y82.8Confident79.6Confident51 Ų5150.7 Ų50.720%0.229%0.292CS..Hα-helixtrans-68.7-36.1179.9-84-124.7000112.1K173 V175 L180 G181 L182 G183 P185 L188K173-Y177 HydrophobicContact CD-CE2 4.21Å; K173-Y177 HydrophobicContact CG-CD2 3.72Å; K173-Y177 HydrophobicContact CG-CE2 3.5Å; K173-Y177 WeakPolarHBondContact O-CB 3.44Å; K173-Y177 WeakPolarHBondContact O-CD2 3.4Å; K173-Y177 PolarHBondContact O-N 2.91Å; V175-Y177 PolarHBondContact O-N 3.4Å; Y177-L180 CarbonylContact O-C 3.52Å; Y177-L180 PolarHBondContact O-N 2.95Å; Y177-G181 PolarHBondContact O-N 3.41Å; Y177-L182 HydrophobicContact CD1-CB 3.59Å; Y177-L182 HydrophobicContact CD1-CD1 4.25Å; Y177-L182 HydrophobicContact CE1-CB 4.27Å; Y177-L182 HydrophobicContact CE1-CD1 4.38Å; Y177-L182 HydrophobicContact CG-CB 4.11Å; Y177-L182 HydrophobicContact CG-CD1 4.49Å; Y177-L182 PolarHBondContact O-N 3.47Å; Y177-G183 WeakPolarHBondContact CB-O 3.41Å; Y177-P185 HydrophobicContact CD1-CB 4.12Å; Y177-P185 HydrophobicContact CD2-CB 4.48Å; Y177-P185 HydrophobicContact CE1-CB 4.12Å; Y177-P185 HydrophobicContact CE2-CB 4.46Å; Y177-P185 HydrophobicContact CG-CB 4.32Å; Y177-L188 HydrophobicContact CD1-CD1 4.14Å; Y177-L188 HydrophobicContact CE1-CD1 3.52Å
178E82.3Confident79.1Confident85 Ų8554.1 Ų54.140%0.39731%0.307SS..Hα-helixtrans-62.2-45.9172.8-178.271.6178.400111.4V100 Q174 V175 L180 G181V100-E178 HydrophobicContact CB-CB 4.46Å; V100-E178 HydrophobicContact CB-CG 4.49Å; V100-E178 HydrophobicContact CG1-CB 3.91Å; V100-E178 HydrophobicContact CG1-CG 4.45Å; V100-E178 HydrophobicContact CG2-CB 3.9Å; V100-E178 HydrophobicContact CG2-CG 3.71Å; Q174-E178 WeakPolarHBondContact O-CB 3.5Å; Q174-E178 PolarHBondContact O-N 3.11Å; V175-E178 PolarHBondContact O-N 2.84Å; E178-L180 PolarHBondContact O-N 3.35Å; E178-G181 PolarHBondContact O-N 3.17Å
179C82.1Confident78.9Confident59 Ų5956.4 Ų56.440%0.39932%0.317SS..Hα-helixtrans-61-27.6177.3-73.10000112.8V175 Y176V175-C179 PolarHBondContact O-N 2.87Å; V175-C179 PolarHBondContact O-SG 2.84Å; V175-C179 VanDerWaalsContact O-SG 3.34Å; Y176-C179 PolarHBondContact O-N 2.97Å
180L81.3Confident78.9Confident94 Ų9456.5 Ų56.549%0.49232%0.323SS..THydrogen-bonded Turntrans-93.1-4.8175.9-66.8-179.2000114.2Y176 Y177 E178 L182Y176-L180 HydrophobicContact CD1-CD1 4.09Å; Y176-L180 HydrophobicContact CD2-CD1 4.46Å; Y176-L180 HydrophobicContact CE1-CD1 3.45Å; Y176-L180 VanDerWaalsContact CE1-CD1 3.45Å; Y176-L180 HydrophobicContact CE2-CD1 3.88Å; Y176-L180 HydrophobicContact CE2-CG 4.43Å; Y176-L180 WeakPolarHBondContact O-CG 3.39Å; Y176-L180 PolarHBondContact O-N 2.64Å; Y176-L180 VanDerWaalsContact O-N 3.17Å; Y176-L180 WeakPolarHBondContact OH-CD1 3.45Å; Y177-L180 CarbonylContact O-C 3.52Å; Y177-L180 PolarHBondContact O-N 2.95Å; E178-L180 PolarHBondContact O-N 3.35Å; L180-L182 VanDerWaalsContact C-N 3.32Å; L180-L182 HydrophobicContact CB-CD1 3.73Å; L180-L182 HydrophobicContact CB-CG 3.82Å; L180-L182 HydrophobicContact CD1-CD1 3.74Å; L180-L182 HydrophobicContact CG-CD1 4.43Å; L180-L182 PolarHBondContact O-N 3.37Å
181G78Confident78.7Confident68 Ų6861.2 Ų61.270%0.70135%0.354SS*.THydrogen-bonded Turntrans69.324.3-176.200000114.6Y177 E178Y177-G181 PolarHBondContact O-N 3.41Å; E178-G181 PolarHBondContact O-N 3.17Å
182L74.1Confident78.4Confident98 Ų9870.1 Ų70.151%0.51339%0.387SS..  trans-90.5-6.2-175.2-66.4171.3000114.3Y177 L180Y177-L182 HydrophobicContact CD1-CB 3.59Å; Y177-L182 HydrophobicContact CD1-CD1 4.25Å; Y177-L182 HydrophobicContact CE1-CB 4.27Å; Y177-L182 HydrophobicContact CE1-CD1 4.38Å; Y177-L182 HydrophobicContact CG-CB 4.11Å; Y177-L182 HydrophobicContact CG-CD1 4.49Å; Y177-L182 PolarHBondContact O-N 3.47Å; L180-L182 VanDerWaalsContact C-N 3.32Å; L180-L182 HydrophobicContact CB-CD1 3.73Å; L180-L182 HydrophobicContact CB-CG 3.82Å; L180-L182 HydrophobicContact CD1-CD1 3.74Å; L180-L182 HydrophobicContact CG-CD1 4.43Å; L180-L182 PolarHBondContact O-N 3.37Å
183G74Confident77.8Confident37 Ų3768.6 Ų68.638%0.38138%0.382SS..  trans76.2-165.9-179.500000114.4Y177 P185Y177-G183 WeakPolarHBondContact CB-O 3.41Å; G183-P185 WeakPolarHBondContact O-CD 3.44Å
184D75.1Confident77.5Confident87 Ų8770.1 Ų70.147%0.46539%0.39SS..  trans-71.6121.8-175.6-174.5-4.7000112L186 A187D184-L186 PolarHBondContact O-N 3.11Å; D184-L186 VanDerWaalsContact O-N 3.15Å; D184-L186 PolarHBondContact OD1-N 3.31Å; D184-A187 HydrophobicContact CB-CB 4.34Å; D184-A187 WeakPolarHBondContact O-CB 3.41Å; D184-A187 PolarHBondContact O-N 3.38Å
185P72.9Confident77.3Confident4 Ų472.8 Ų72.83%0.02640%0.399CS..THydrogen-bonded Turntrans-58.5-26.5177.622.9-34.9000114.2K173 Q174 Y177 G183 L188K173-P185 HydrophobicContact CB-CG 4.38Å; K173-P185 HydrophobicContact CD-CB 4Å; K173-P185 HydrophobicContact CD-CG 4.41Å; K173-P185 HydrophobicContact CG-CB 4.03Å; K173-P185 HydrophobicContact CG-CG 4.12Å; Q174-P185 HydrophobicContact CG-CG 4.02Å; Y177-P185 HydrophobicContact CD1-CB 4.12Å; Y177-P185 HydrophobicContact CD2-CB 4.48Å; Y177-P185 HydrophobicContact CE1-CB 4.12Å; Y177-P185 HydrophobicContact CE2-CB 4.46Å; Y177-P185 HydrophobicContact CG-CB 4.32Å; G183-P185 WeakPolarHBondContact O-CD 3.44Å; P185-L188 PolarHBondContact O-N 3.07Å
186L70.8Confident76.9Confident40 Ų4073.5 Ų73.521%0.20940%0.403CS..THydrogen-bonded Turntrans-70.4-31.8176.6-87.2150.2000112.8D184 L188 K189 Q194D184-L186 PolarHBondContact O-N 3.11Å; D184-L186 VanDerWaalsContact O-N 3.15Å; D184-L186 PolarHBondContact OD1-N 3.31Å; L186-L188 PolarHBondContact O-N 2.85Å; L186-K189 HydrophobicContact CD2-CD 4.47Å; L186-K189 PolarHBondContact O-N 3.1Å; L186-Q194 PolarHBondContact O-NE2 3.5Å
187A71.2Confident76.4Confident71 Ų7170.4 Ų70.459%0.58739%0.392SS*.THydrogen-bonded Turntrans-67.2-20.4179.500000112.5D184D184-A187 HydrophobicContact CB-CB 4.34Å; D184-A187 WeakPolarHBondContact O-CB 3.41Å; D184-A187 PolarHBondContact O-N 3.38Å
188L72.1Confident76Confident120 Ų12071 Ų7163%0.62841%0.407SS*.THydrogen-bonded Turntrans-82.2-11.3178.2-63.4166.2000113.4Y177 P185 L186Y177-L188 HydrophobicContact CD1-CD1 4.14Å; Y177-L188 HydrophobicContact CE1-CD1 3.52Å; P185-L188 PolarHBondContact O-N 3.07Å; L186-L188 PolarHBondContact O-N 2.85Å
189K77.7Confident75.6Confident54 Ų5469.6 Ų69.624%0.23540%0.401CS..SBendtrans-81.2153.3179.4-69.9-179.6171.51720111.2E168 L186 Q194 F197E168-K189 WeakPolarHBondContact OE1-CE 3.28Å; E168-K189 IonicContact OE1-NZ 2.74Å; E168-K189 PolarHBondContact OE1-NZ 3.38Å; E168-K189 IonicContact OE2-NZ 2.68Å; E168-K189 PolarHBondContact OE2-NZ 3.35Å; E168-K189 VanDerWaalsContact OE2-NZ 3.13Å; L186-K189 HydrophobicContact CD2-CD 4.47Å; L186-K189 PolarHBondContact O-N 3.1Å; K189-Q194 HydrophobicContact CB-CG 4.12Å; K189-Q194 PolarHBondContact O-NE2 2.99Å; K189-F197 HydrophobicContact CD-CD2 4.27Å; K189-F197 HydrophobicContact CD-CE2 3.86Å
190S80.1Confident75Confident63 Ų6368.2 Ų68.244%0.44139%0.389SS..  trans-60.6148.4177.1730000112R192 A193 Q194S190-R192 PolarHBondContact O-N 3.11Å; S190-A193 WeakPolarHBondContact O-CB 3.39Å; S190-A193 PolarHBondContact O-N 2.98Å; S190-A193 WeakPolarHBondContact OG-CB 3.23Å; S190-A193 PolarHBondContact OG-N 3.08Å; S190-Q194 PolarHBondContact O-N 2.95Å
191P78.6Confident74.5Confident106 Ų10671.3 Ų71.369%0.68839%0.394SS*.Hα-helixtrans-56.4-35.7-178.7-27.734.7000114Q194 R195P191-Q194 PolarHBondContact O-N 2.92Å; P191-R195 PolarHBondContact O-N 3.35Å
192R75.3Confident74.3Confident187 Ų18770.2 Ų70.271%0.70637%0.371SS*.Hα-helixtrans-65.7-40.3176-67.1-178.4179.2164.6-0.5112S190 L196 Y246S190-R192 PolarHBondContact O-N 3.11Å; R192-L196 PolarHBondContact O-N 3.1Å; R192-Y246 HydrophobicContact CB-CD2 4.27Å; R192-Y246 HydrophobicContact CB-CE2 3.9Å
193A70.6Confident74.4Confident15 Ų1567.8 Ų67.812%0.12436%0.361CS..Hα-helixtrans-68-42.1175.400000111.2S190 R195 L196 F197S190-A193 WeakPolarHBondContact O-CB 3.39Å; S190-A193 PolarHBondContact O-N 2.98Å; S190-A193 WeakPolarHBondContact OG-CB 3.23Å; S190-A193 PolarHBondContact OG-N 3.08Å; A193-R195 VanDerWaalsContact C-N 3.34Å; A193-R195 PolarHBondContact O-N 3.19Å; A193-L196 PolarHBondContact O-N 2.83Å; A193-F197 HydrophobicContact CB-CD2 4.44Å; A193-F197 HydrophobicContact CB-CE2 4.25Å; A193-F197 WeakPolarHBondContact O-CD2 3.36Å; A193-F197 PolarHBondContact O-N 3.31Å
194Q77.3Confident74.8Confident77 Ų7767.4 Ų67.436%0.3635%0.351SS..Hα-helixtrans-59.2-43.4175.8-65.9-179.62400111.9L186 K189 S190 P191 F197 A198L186-Q194 PolarHBondContact O-NE2 3.5Å; K189-Q194 HydrophobicContact CB-CG 4.12Å; K189-Q194 PolarHBondContact O-NE2 2.99Å; S190-Q194 PolarHBondContact O-N 2.95Å; P191-Q194 PolarHBondContact O-N 2.92Å; Q194-F197 PolarHBondContact O-N 3.44Å; Q194-A198 WeakPolarHBondContact O-CB 3.37Å; Q194-A198 PolarHBondContact O-N 3.23Å
195R79.8Confident75.3Confident75 Ų7564.4 Ų64.428%0.28334%0.337SS..Hα-helixtrans-60-49.2174.2-175.3-176.3-177.5-84.31.4111.7P191 A193 F197 A198 H199 D240 D243P191-R195 PolarHBondContact O-N 3.35Å; A193-R195 VanDerWaalsContact C-N 3.34Å; A193-R195 PolarHBondContact O-N 3.19Å; R195-F197 PolarHBondContact O-N 2.97Å; R195-A198 WeakPolarHBondContact O-CB 3.33Å; R195-A198 PolarHBondContact O-N 3.23Å; R195-A198 VanDerWaalsContact O-N 3.09Å; R195-H199 PolarHBondContact O-N 3.47Å; R195-H199 VanDerWaalsContact O-N 3.09Å; R195-D240 IonicContact NH2-OD2 3.03Å; R195-D240 PolarHBondContact NH2-OD2 3.29Å; R195-D240 VanDerWaalsContact NH2-OD2 3.15Å; R195-D243 IonicContact CZ-OD1 2.79Å; R195-D243 IonicContact CZ-OD2 3.8Å; R195-D243 IonicContact NH1-OD1 3.98Å; R195-D243 PolarHBondContact NH1-OD1 2.91Å; R195-D243 IonicContact NH1-OD2 2.68Å; R195-D243 PolarHBondContact NH1-OD2 3.22Å; R195-D243 IonicContact NH2-OD2 3.15Å
196L75.3Confident76Confident17 Ų1769.3 Ų69.39%0.08937%0.366CS..Hα-helixtrans-57.4-47.9177.7177.167.2000111.2R192 A193 A198 H199 L200 D243 Y246 L247R192-L196 PolarHBondContact O-N 3.1Å; A193-L196 PolarHBondContact O-N 2.83Å; L196-A198 PolarHBondContact O-N 2.91Å; L196-H199 PolarHBondContact O-N 3.31Å; L196-L200 HydrophobicContact CD1-CB 4.42Å; L196-L200 WeakPolarHBondContact O-CB 3.1Å; L196-L200 PolarHBondContact O-N 2.86Å; L196-D243 HydrophobicContact CD1-CB 3.99Å; L196-Y246 HydrophobicContact CB-CD1 4.39Å; L196-Y246 HydrophobicContact CB-CE1 4.47Å; L196-Y246 HydrophobicContact CD2-CD1 3.88Å; L196-Y246 HydrophobicContact CD2-CE1 3.76Å; L196-L247 HydrophobicContact CD1-CD1 4.05Å; L196-L247 HydrophobicContact CD1-CD2 4.18Å; L196-L247 HydrophobicContact CD1-CG 3.97Å; L196-L247 HydrophobicContact CD2-CD2 3.77Å; L196-L247 HydrophobicContact CD2-CG 4.35Å
197F74.1Confident77Confident71 Ų7169 Ų6931%0.31136%0.364SS..Hα-helixtrans-64.2-28.2178.1-74.6-64.4000113.2F164 K189 A193 Q194 R195F164-F197 HydrophobicContact CD1-CD1 4.06Å; F164-F197 AromaticContact CD1-CE1 3.43Å; F164-F197 HydrophobicContact CD1-CE1 3.43Å; F164-F197 VanDerWaalsContact CD1-CE1 3.43Å; F164-F197 HydrophobicContact CD1-CZ 4.48Å; F164-F197 AromaticContact CE1-CD1 3.82Å; F164-F197 HydrophobicContact CE1-CD1 3.82Å; F164-F197 AromaticContact CE1-CE1 3.35Å; F164-F197 HydrophobicContact CE1-CE1 3.35Å; F164-F197 HydrophobicContact CE1-CZ 4.41Å; F164-F197 HydrophobicContact CG-CE1 4.49Å; F164-F197 HydrophobicContact CZ-CE1 4.4Å; K189-F197 HydrophobicContact CD-CD2 4.27Å; K189-F197 HydrophobicContact CD-CE2 3.86Å; A193-F197 HydrophobicContact CB-CD2 4.44Å; A193-F197 HydrophobicContact CB-CE2 4.25Å; A193-F197 WeakPolarHBondContact O-CD2 3.36Å; A193-F197 PolarHBondContact O-N 3.31Å; Q194-F197 PolarHBondContact O-N 3.44Å; R195-F197 PolarHBondContact O-N 2.97Å
198A73.4Confident77.9Confident62 Ų6267 Ų6751%0.51234%0.343SS..Hα-helixtrans-73.2-34.1176.100000112.6Q194 R195 L196Q194-A198 WeakPolarHBondContact O-CB 3.37Å; Q194-A198 PolarHBondContact O-N 3.23Å; R195-A198 WeakPolarHBondContact O-CB 3.33Å; R195-A198 PolarHBondContact O-N 3.23Å; R195-A198 VanDerWaalsContact O-N 3.09Å; L196-A198 PolarHBondContact O-N 2.91Å
199H74.4Confident78.9Confident57 Ų5762.8 Ų62.826%0.26433%0.326SS..Hα-helixtrans-90.1-32.2-179.5-65.6176.1000113.2R195 L196 R201 L239 D243R195-H199 PolarHBondContact O-N 3.47Å; R195-H199 VanDerWaalsContact O-N 3.09Å; L196-H199 PolarHBondContact O-N 3.31Å; H199-R201 PolarHBondContact O-N 3.46Å; H199-L239 HydrophobicContact CB-CD2 4.13Å; H199-D243 IonicContact CE1-OD2 2.85Å; H199-D243 IonicContact CG-OD2 3.63Å; H199-D243 IonicContact ND1-OD1 3.31Å; H199-D243 IonicContact ND1-OD2 3.98Å; H199-D243 PolarHBondContact ND1-OD2 3.18Å
200L69.1Low79.6Confident30 Ų3062.9 Ų62.916%0.15733%0.331CS..  trans-80.866.2177.7-165.488.3000110.7F164 L196 H202 P203 L239F164-L200 HydrophobicContact CE1-CD2 3.57Å; F164-L200 HydrophobicContact CZ-CD2 3.44Å; F164-L200 VanDerWaalsContact CZ-CD2 3.44Å; L196-L200 HydrophobicContact CD1-CB 4.42Å; L196-L200 WeakPolarHBondContact O-CB 3.1Å; L196-L200 PolarHBondContact O-N 2.86Å; L200-H202 VanDerWaalsContact C-N 3.27Å; L200-H202 PolarHBondContact O-N 3.41Å; L200-P203 HydrophobicContact CD2-CB 3.76Å; L200-P203 HydrophobicContact CD2-CG 4.49Å; L200-P203 HydrophobicContact CG-CB 4.17Å; L200-L239 HydrophobicContact CB-CD2 4.08Å; L200-L239 HydrophobicContact CD1-CD1 3.9Å; L200-L239 HydrophobicContact CD1-CD2 3.81Å; L200-L239 HydrophobicContact CD1-CG 4.32Å
201R70.2Confident80.2Confident159 Ų15959.9 Ų59.960%0.631%0.31SS*.SBendtrans-63.2-33.1-179-68.4-176.2180-179.62.8113.1H199H199-R201 PolarHBondContact O-N 3.46Å
202H75.3Confident80.9Confident44 Ų4455 Ų5520%0.20428%0.278CS..  trans-138.186.9-174.5-59-60.3000110.5L200 V204 C205 L233 A236L200-H202 VanDerWaalsContact C-N 3.27Å; L200-H202 PolarHBondContact O-N 3.41Å; H202-V204 PolarHBondContact O-N 2.91Å; H202-C205 WeakPolarHBondContact CB-SG 3.09Å; H202-C205 PolarHBondContact O-SG 3.11Å; H202-L233 HydrophobicContact CB-CD2 4.27Å; H202-A236 WeakPolarHBondContact NE2-CB 3.44Å
203P75.2Confident81.8Confident48 Ų4851.1 Ų51.131%0.31226%0.263SS..THydrogen-bonded Turntrans-68.6-13.3-179.125-33.2000114.3I160 F164 L200I160-P203 HydrophobicContact CG2-CB 4.03Å; I160-P203 HydrophobicContact CG2-CG 4.22Å; F164-P203 HydrophobicContact CE2-CB 4.45Å; F164-P203 HydrophobicContact CZ-CB 4.21Å; L200-P203 HydrophobicContact CD2-CB 3.76Å; L200-P203 HydrophobicContact CD2-CG 4.49Å; L200-P203 HydrophobicContact CG-CB 4.17Å
204V83.6Confident82.8Confident28 Ų2852.5 Ų52.517%0.1727%0.268CS..THydrogen-bonded Turntrans-113.721-171-64.70000113.4I157 I160 H202 V206 E207 L208I157-V204 HydrophobicContact CB-CG1 4.41Å; I157-V204 HydrophobicContact CG1-CB 4.1Å; I157-V204 HydrophobicContact CG1-CG1 4.17Å; I157-V204 HydrophobicContact CG2-CG1 4.19Å; I160-V204 HydrophobicContact CB-CG1 4.13Å; I160-V204 HydrophobicContact CD1-CG1 4Å; I160-V204 HydrophobicContact CG2-CG1 3.87Å; H202-V204 PolarHBondContact O-N 2.91Å; V204-V206 VanDerWaalsContact C-N 3.3Å; V204-V206 PolarHBondContact O-N 2.72Å; V204-E207 WeakPolarHBondContact CA-OE2 3.39Å; V204-L208 VanDerWaalsContact O-CB 3.28Å; V204-L208 WeakPolarHBondContact O-CB 3.4Å; V204-L208 PolarHBondContact O-N 2.99Å; V204-L208 VanDerWaalsContact O-N 3.11Å
205C84.6Confident83.3Confident25 Ų2548.9 Ų48.917%0.16925%0.252CS..Hα-helixtrans-58.6-40.8-175.3-72.90000113.1H202 A209H202-C205 WeakPolarHBondContact CB-SG 3.09Å; H202-C205 PolarHBondContact O-SG 3.11Å; C205-A209 VanDerWaalsContact O-CB 3.25Å; C205-A209 WeakPolarHBondContact O-CB 3.38Å; C205-A209 PolarHBondContact O-N 3.31Å
206V87.3Confident83.7Confident106 Ų10645.3 Ų45.364%0.64224%0.238SC*.Hα-helixtrans-72.1-48.7-171.6178.40000110.1V204 L208 A209 V210V204-V206 VanDerWaalsContact C-N 3.3Å; V204-V206 PolarHBondContact O-N 2.72Å; V206-L208 VanDerWaalsContact C-N 3.33Å; V206-L208 PolarHBondContact O-N 3.41Å; V206-A209 PolarHBondContact O-N 3.17Å; V206-V210 WeakPolarHBondContact O-CG2 3.25Å; V206-V210 PolarHBondContact O-N 3.32Å
207E91.7Very high84.2Confident35 Ų3544.7 Ų44.716%0.16424%0.235CC..Hα-helixtrans-62.7-42.3178.8-60.479.6-176.700110.9C153 I156 I157 V204 V210 V211C153-E207 HydrophobicContact CB-CB 4.1Å; I156-E207 HydrophobicContact CB-CG 4.14Å; I156-E207 HydrophobicContact CG2-CG 3.79Å; I156-E207 WeakPolarHBondContact CG2-OE1 3.29Å; I157-E207 HydrophobicContact CD1-CB 3.71Å; I157-E207 HydrophobicContact CG1-CB 3.56Å; I157-E207 HydrophobicContact CG1-CG 4.18Å; V204-E207 WeakPolarHBondContact CA-OE2 3.39Å; E207-V210 PolarHBondContact O-N 3.27Å; E207-V211 WeakPolarHBondContact O-CG2 3.38Å; E207-V211 PolarHBondContact O-N 3.44Å
208L91.4Very high85Confident27 Ų2741.5 Ų41.514%0.14122%0.221CC..Hα-helixtrans-66.1-39.6176.8-174.658.7000111.6F29 V204 V206 V211 L212 L233F29-L208 HydrophobicContact CE1-CD1 4.08Å; F29-L208 HydrophobicContact CZ-CD1 4.42Å; V204-L208 VanDerWaalsContact O-CB 3.28Å; V204-L208 WeakPolarHBondContact O-CB 3.4Å; V204-L208 PolarHBondContact O-N 2.99Å; V204-L208 VanDerWaalsContact O-N 3.11Å; V206-L208 VanDerWaalsContact C-N 3.33Å; V206-L208 PolarHBondContact O-N 3.41Å; L208-V211 PolarHBondContact O-N 3.3Å; L208-L212 HydrophobicContact CD1-CG 4.39Å; L208-L212 HydrophobicContact CG-CD1 4.08Å; L208-L212 HydrophobicContact CG-CG 4.44Å; L208-L212 WeakPolarHBondContact O-CB 3.4Å; L208-L212 WeakPolarHBondContact O-CG 3.36Å; L208-L212 PolarHBondContact O-N 3.36Å; L208-L233 HydrophobicContact CD2-CD1 3.94Å; L208-L233 HydrophobicContact CD2-CD2 4.5Å; L208-L233 HydrophobicContact CG-CD1 4.29Å
209A91.8Very high85.7Confident33 Ų3339.1 Ų39.127%0.27320%0.201SC..Hα-helixtrans-61.5-44.1174.700000111.5C205 V206 V211 L212 W213C205-A209 VanDerWaalsContact O-CB 3.25Å; C205-A209 WeakPolarHBondContact O-CB 3.38Å; C205-A209 PolarHBondContact O-N 3.31Å; V206-A209 PolarHBondContact O-N 3.17Å; A209-V211 VanDerWaalsContact C-N 3.34Å; A209-V211 PolarHBondContact O-N 3.03Å; A209-L212 PolarHBondContact O-N 3.24Å; A209-W213 VanDerWaalsContact O-CD1 3.23Å; A209-W213 PolarHBondContact O-N 3.46Å; A209-W213 VanDerWaalsContact O-N 3.17Å
210V92.5Very high86.5Confident55 Ų5537.3 Ų37.333%0.33319%0.193SC..Hα-helixtrans-58.4-48.6175.2173.20000110.5V206 E207 L212 W213 L214V206-V210 WeakPolarHBondContact O-CG2 3.25Å; V206-V210 PolarHBondContact O-N 3.32Å; E207-V210 PolarHBondContact O-N 3.27Å; V210-L212 VanDerWaalsContact C-N 3.27Å; V210-L212 PolarHBondContact O-N 2.93Å; V210-W213 PolarHBondContact O-N 2.88Å; V210-L214 HydrophobicContact CG1-CB 4.28Å; V210-L214 HydrophobicContact CG1-CD2 4.03Å; V210-L214 WeakPolarHBondContact O-CB 3.41Å; V210-L214 PolarHBondContact O-N 2.94Å
211V93.4Very high87.6Confident0 Ų036.1 Ų36.10%019%0.187CC..Hα-helixtrans-64.9-29.6-178.8171.50000113.1I33 S34 H150 C153 W154 E207 L208 A209I33-V211 HydrophobicContact CB-CG1 4.47Å; I33-V211 HydrophobicContact CG2-CG1 3.62Å; S34-V211 WeakPolarHBondContact OG-CG1 3.43Å; H150-V211 PolarHBondContact CE1-O 2.9Å; H150-V211 PolarHBondContact NE2-O 2.98Å; C153-V211 HydrophobicContact CB-CG2 3.47Å; C153-V211 VanDerWaalsContact CB-CG2 3.47Å; W154-V211 HydrophobicContact CZ2-CG1 3.86Å; E207-V211 WeakPolarHBondContact O-CG2 3.38Å; E207-V211 PolarHBondContact O-N 3.44Å; L208-V211 PolarHBondContact O-N 3.3Å; A209-V211 VanDerWaalsContact C-N 3.34Å; A209-V211 PolarHBondContact O-N 3.03Å
212L92.6Very high88.6Confident5 Ų529.2 Ų29.23%0.02616%0.161CC..Hα-helixtrans-73.9-37.7177.8-76.2169.3000112.9I33 L208 A209 V210 L225 A226 L229I33-L212 HydrophobicContact CD1-CD2 3.75Å; I33-L212 HydrophobicContact CG2-CD2 4.41Å; L208-L212 HydrophobicContact CD1-CG 4.39Å; L208-L212 HydrophobicContact CG-CD1 4.08Å; L208-L212 HydrophobicContact CG-CG 4.44Å; L208-L212 WeakPolarHBondContact O-CB 3.4Å; L208-L212 WeakPolarHBondContact O-CG 3.36Å; L208-L212 PolarHBondContact O-N 3.36Å; A209-L212 PolarHBondContact O-N 3.24Å; V210-L212 VanDerWaalsContact C-N 3.27Å; V210-L212 PolarHBondContact O-N 2.93Å; L212-L225 HydrophobicContact CD2-CG 4.47Å; L212-A226 HydrophobicContact CB-CB 4.01Å; L212-L229 HydrophobicContact CD1-CB 3.85Å; L212-L229 HydrophobicContact CD1-CD1 4.38Å; L212-L229 HydrophobicContact CD2-CD1 3.95Å
213W93.7Very high89.4Confident105 Ų10529.3 Ų29.340%0.39816%0.163SC..Hα-helixtrans-99.8-26.4-171.9-71.599.8000114.1A209 V210 L215 L218 L223 A226 S230A209-W213 VanDerWaalsContact O-CD1 3.23Å; A209-W213 PolarHBondContact O-N 3.46Å; A209-W213 VanDerWaalsContact O-N 3.17Å; V210-W213 PolarHBondContact O-N 2.88Å; W213-L215 PolarHBondContact O-N 2.87Å; W213-L218 HydrophobicContact CE3-CD2 4.37Å; W213-L218 HydrophobicContact CZ3-CD2 4.32Å; W213-L223 HydrophobicContact CH2-CD1 3.82Å; W213-L223 HydrophobicContact CZ3-CD1 3.58Å; W213-A226 HydrophobicContact CD2-CB 4.05Å; W213-A226 HydrophobicContact CE3-CB 4.39Å; W213-A226 HydrophobicContact CH2-CB 4.48Å; W213-A226 HydrophobicContact CZ2-CB 4.14Å; W213-S230 PolarHBondContact NE1-OG 3.23Å
214L91.5Very high90.3Very high43 Ų4328.8 Ų28.823%0.22516%0.157CC..  trans-85.571.1-172.7-170.967.4000112.6L149 H150 V210L149-L214 HydrophobicContact CB-CD2 3.57Å; L149-L214 HydrophobicContact CD1-CD2 3.44Å; L149-L214 VanDerWaalsContact CD1-CD2 3.44Å; L149-L214 HydrophobicContact CG-CD2 4.14Å; H150-L214 PolarHBondContact NE2-O 3.38Å; V210-L214 HydrophobicContact CG1-CB 4.28Å; V210-L214 HydrophobicContact CG1-CD2 4.03Å; V210-L214 WeakPolarHBondContact O-CB 3.41Å; V210-L214 PolarHBondContact O-N 2.94Å
215L89.4Confident90.8Very high2 Ų227.6 Ų27.61%0.0115%0.15CC..  trans-114.9147.1-177.3-65172.1000111.9A37 W131 W213 A217 L218 R222A37-L215 HydrophobicContact CB-CD1 4.42Å; A37-L215 HydrophobicContact CB-CD2 3.54Å; W131-L215 WeakPolarHBondContact CH2-O 3.45Å; W131-L215 WeakPolarHBondContact CZ2-O 3.34Å; W213-L215 PolarHBondContact O-N 2.87Å; L215-A217 WeakPolarHBondContact CB-O 3.37Å; L215-A217 PolarHBondContact O-N 3Å; L215-L218 HydrophobicContact CD1-CD1 3.94Å; L215-R222 HydrophobicContact CD1-CB 4.26Å; L215-R222 HydrophobicContact CD1-CG 4.35Å
216P87.4Confident91.3Very high0 Ų026.5 Ų26.50%014%0.142CC..SBendtrans-67-24.7177.927.3-34.7000113.8N41 V133 F142 P143N41-P216 HydrophobicContact CB-CG 4.47Å; V133-P216 PolarHBondContact N-O 3.22Å; V133-P216 VanDerWaalsContact N-O 3.13Å; F142-P216 HydrophobicContact CD1-CB 4.25Å; P143-P216 HydrophobicContact CB-CB 4.24Å; P143-P216 HydrophobicContact CG-CB 3.86Å
217A86.6Confident91.7Very high4 Ų422.8 Ų22.83%0.03313%0.125CC..EExtended strand (participates in β ladder)trans-142.8140.4170.700000108.6L48 W131 L215 P219L48-A217 HydrophobicContact CD1-CB 4.16Å; W131-A217 WeakPolarHBondContact O-CA 3.36Å; L215-A217 WeakPolarHBondContact CB-O 3.37Å; L215-A217 PolarHBondContact O-N 3Å; A217-P219 WeakPolarHBondContact O-CD 3.5Å
218L89.3Confident91.8Very high3 Ų322.5 Ų22.52%0.01613%0.128CC..EExtended strand (participates in β ladder)trans-117.692.1-179.6-168.569.7000110.3L130 W131 W213 L215 R222 L223L130-L218 HydrophobicContact CD2-CD2 4.05Å; L130-L218 PolarHBondContact N-O 2.84Å; W131-L218 HydrophobicContact CG-CB 4.46Å; W131-L218 PolarHBondContact O-N 3.02Å; W213-L218 HydrophobicContact CE3-CD2 4.37Å; W213-L218 HydrophobicContact CZ3-CD2 4.32Å; L215-L218 HydrophobicContact CD1-CD1 3.94Å; L218-R222 HydrophobicContact CD1-CB 3.92Å; L218-L223 HydrophobicContact CD2-CB 4.48Å; L218-L223 HydrophobicContact CD2-CD1 3.91Å; L218-L223 HydrophobicContact CG-CB 4.36Å
219P89.7Confident91.9Very high13 Ų1321.9 Ų21.98%0.08412%0.124CC..  trans-72.2168172.432.2-37.1000111.4A217 D221 R222 L223A217-P219 WeakPolarHBondContact O-CD 3.5Å; P219-D221 WeakPolarHBondContact CB-OD1 3.02Å; P219-D221 VanDerWaalsContact CG-OD1 3.29Å; P219-D221 WeakPolarHBondContact CG-OD1 3.35Å; P219-D221 PolarHBondContact O-N 3.43Å; P219-R222 HydrophobicContact CG-CB 3.82Å; P219-R222 HydrophobicContact CG-CG 3.55Å; P219-R222 PolarHBondContact O-N 2.98Å; P219-L223 PolarHBondContact O-N 3.4Å
220L90.6Very high92Very high18 Ų1821.6 Ų21.69%0.09412%0.12CC..Hα-helixtrans-61.2-43.6-175-178.762000113W55 L59 V64 V68 V124 A127 R222 L223 L224W55-L220 HydrophobicContact CH2-CB 4.37Å; W55-L220 HydrophobicContact CH2-CD1 4.28Å; W55-L220 HydrophobicContact CZ3-CB 4.42Å; W55-L220 HydrophobicContact CZ3-CD1 4.04Å; W55-L220 HydrophobicContact CZ3-CD2 4.28Å; W55-L220 HydrophobicContact CZ3-CG 4.48Å; L59-L220 HydrophobicContact CD2-CD2 4.27Å; V64-L220 HydrophobicContact CG1-CD2 3.98Å; V68-L220 HydrophobicContact CG2-CD2 3.82Å; V68-L220 HydrophobicContact CG2-CG 4.45Å; V124-L220 HydrophobicContact CB-CB 4.36Å; V124-L220 HydrophobicContact CG1-CB 4.24Å; V124-L220 HydrophobicContact CG1-CD2 4.3Å; A127-L220 HydrophobicContact CB-CB 4.38Å; A127-L220 HydrophobicContact CB-CD2 4.41Å; L220-R222 VanDerWaalsContact C-N 3.34Å; L220-R222 PolarHBondContact O-N 3.26Å; L220-L223 WeakPolarHBondContact O-CB 3.35Å; L220-L223 PolarHBondContact O-N 3.47Å; L220-L224 WeakPolarHBondContact O-CG 3.36Å; L220-L224 PolarHBondContact O-N 3.15Å
221D90.9Very high91.9Very high6 Ų621.5 Ų21.53%0.03213%0.125CC..Hα-helixtrans-61-43.6177.965.1-54.7000111.1W121 V124 P219 L223 L224 L225W121-D221 HydrophobicContact CZ2-CB 4.1Å; W121-D221 WeakPolarHBondContact CZ2-O 3.48Å; W121-D221 PolarHBondContact NE1-OD2 3.14Å; V124-D221 HydrophobicContact CB-CB 4.31Å; V124-D221 HydrophobicContact CG2-CB 3.95Å; P219-D221 WeakPolarHBondContact CB-OD1 3.02Å; P219-D221 VanDerWaalsContact CG-OD1 3.29Å; P219-D221 WeakPolarHBondContact CG-OD1 3.35Å; P219-D221 PolarHBondContact O-N 3.43Å; D221-L223 VanDerWaalsContact C-N 3.33Å; D221-L223 PolarHBondContact O-N 2.9Å; D221-L224 WeakPolarHBondContact O-CB 3.43Å; D221-L224 PolarHBondContact O-N 2.96Å; D221-L225 PolarHBondContact O-N 3.5Å
222R91.5Very high91.7Very high13 Ų1323.4 Ų23.45%0.04913%0.132CC..Hα-helixtrans-65-37.4176.4-70-63.8-175.5-177.23.6113F32 L215 L218 P219 L220 L224 L225 A226F32-R222 VanDerWaalsContact O-CZ 3.3Å; F32-R222 PolarHBondContact O-NH1 3.49Å; F32-R222 VanDerWaalsContact O-NH1 3.12Å; F32-R222 PolarHBondContact O-NH2 3.26Å; L215-R222 HydrophobicContact CD1-CB 4.26Å; L215-R222 HydrophobicContact CD1-CG 4.35Å; L218-R222 HydrophobicContact CD1-CB 3.92Å; P219-R222 HydrophobicContact CG-CB 3.82Å; P219-R222 HydrophobicContact CG-CG 3.55Å; P219-R222 PolarHBondContact O-N 2.98Å; L220-R222 VanDerWaalsContact C-N 3.34Å; L220-R222 PolarHBondContact O-N 3.26Å; R222-L224 VanDerWaalsContact C-N 3.33Å; R222-L225 PolarHBondContact O-N 3.16Å; R222-A226 VanDerWaalsContact O-CB 3.25Å; R222-A226 WeakPolarHBondContact O-CB 3.36Å; R222-A226 PolarHBondContact O-N 3.1Å
223L93Very high91.4Very high46 Ų4624.1 Ų24.124%0.24114%0.136CC..Hα-helixtrans-61.9-42.9173.5-179.866.5000111.1L130 W213 L218 P219 L220 D221 G227L130-L223 HydrophobicContact CD2-CD1 4.33Å; L130-L223 HydrophobicContact CD2-CD2 4.33Å; W213-L223 HydrophobicContact CH2-CD1 3.82Å; W213-L223 HydrophobicContact CZ3-CD1 3.58Å; L218-L223 HydrophobicContact CD2-CB 4.48Å; L218-L223 HydrophobicContact CD2-CD1 3.91Å; L218-L223 HydrophobicContact CG-CB 4.36Å; P219-L223 PolarHBondContact O-N 3.4Å; L220-L223 WeakPolarHBondContact O-CB 3.35Å; L220-L223 PolarHBondContact O-N 3.47Å; D221-L223 VanDerWaalsContact C-N 3.33Å; D221-L223 PolarHBondContact O-N 2.9Å; L223-G227 PolarHBondContact O-N 2.99Å
224L94.2Very high91Very high38 Ų3822.5 Ų22.520%0.19915%0.145CC..Hα-helixtrans-63.1-44.9176.6-68.8172.7000111.8V68 L72 L220 D221 R222 S228V68-L224 HydrophobicContact CB-CD1 4.21Å; V68-L224 HydrophobicContact CG1-CD1 3.81Å; V68-L224 HydrophobicContact CG2-CD1 3.89Å; L72-L224 HydrophobicContact CD2-CD2 4.4Å; L220-L224 WeakPolarHBondContact O-CG 3.36Å; L220-L224 PolarHBondContact O-N 3.15Å; D221-L224 WeakPolarHBondContact O-CB 3.43Å; D221-L224 PolarHBondContact O-N 2.96Å; R222-L224 VanDerWaalsContact C-N 3.33Å; L224-S228 WeakPolarHBondContact O-CB 3.21Å; L224-S228 PolarHBondContact O-N 2.98Å; L224-S228 PolarHBondContact O-OG 3.33Å
225L94.6Very high90.6Very high3 Ų327.7 Ų27.72%0.01617%0.173CC..Hα-helixtrans-59.9-54.2175.4179.866.9000111.3F32 L75 W121 L212 D221 R222 L229F32-L225 HydrophobicContact CE1-CD1 4.48Å; F32-L225 HydrophobicContact CE1-CD2 3.63Å; F32-L225 HydrophobicContact CZ-CD2 4.21Å; L75-L225 HydrophobicContact CD2-CD1 3.79Å; W121-L225 HydrophobicContact CH2-CB 3.81Å; W121-L225 HydrophobicContact CH2-CD1 4Å; W121-L225 HydrophobicContact CH2-CG 4.41Å; W121-L225 HydrophobicContact CZ2-CB 3.8Å; W121-L225 HydrophobicContact CZ3-CD1 4.24Å; L212-L225 HydrophobicContact CD2-CG 4.47Å; D221-L225 PolarHBondContact O-N 3.5Å; R222-L225 PolarHBondContact O-N 3.16Å; L225-L229 HydrophobicContact CD1-CD1 3.64Å; L225-L229 HydrophobicContact CD1-CG 4.22Å; L225-L229 HydrophobicContact CG-CD1 4.13Å; L225-L229 WeakPolarHBondContact O-CB 3.32Å; L225-L229 WeakPolarHBondContact O-CG 3.11Å; L225-L229 PolarHBondContact O-N 3.39Å
226A94.8Very high89.9Confident1 Ų128 Ų281%0.00818%0.176CC..Hα-helixtrans-62.8-46.3-177.800000111.5L212 W213 R222 S230L212-A226 HydrophobicContact CB-CB 4.01Å; W213-A226 HydrophobicContact CD2-CB 4.05Å; W213-A226 HydrophobicContact CE3-CB 4.39Å; W213-A226 HydrophobicContact CH2-CB 4.48Å; W213-A226 HydrophobicContact CZ2-CB 4.14Å; R222-A226 VanDerWaalsContact O-CB 3.25Å; R222-A226 WeakPolarHBondContact O-CB 3.36Å; R222-A226 PolarHBondContact O-N 3.1Å; A226-S230 WeakPolarHBondContact O-CB 3.4Å; A226-S230 PolarHBondContact O-N 2.92Å; A226-S230 PolarHBondContact O-OG 3.31Å
227G95.4Very high89Confident28 Ų2833.1 Ų33.129%0.28920%0.199SC..Hα-helixtrans-61.5-49.3177.700000112.6L223 S230 A231L223-G227 PolarHBondContact O-N 2.99Å; G227-S230 PolarHBondContact O-N 3.29Å; G227-A231 WeakPolarHBondContact O-CB 3.45Å; G227-A231 PolarHBondContact O-N 3.07Å
228S94.4Very high88Confident30 Ų3035.3 Ų35.321%0.2121%0.214CC..Hα-helixtrans-66.5-45.5-177.4-56.60000112.1L224 A231 Y232L224-S228 WeakPolarHBondContact O-CB 3.21Å; L224-S228 PolarHBondContact O-N 2.98Å; L224-S228 PolarHBondContact O-OG 3.33Å; S228-A231 PolarHBondContact O-N 3.25Å; S228-Y232 WeakPolarHBondContact O-CB 2.96Å; S228-Y232 PolarHBondContact O-N 2.03Å
229L92.8Very high87.1Confident14 Ų1437.2 Ų37.27%0.07322%0.224CC..Hα-helixtrans-68-36.9177.3-68.3179.6000111.9L75 F78 L212 L225 Y232 L233L75-L229 HydrophobicContact CD2-CG 4.46Å; F78-L229 HydrophobicContact CD1-CD2 4.31Å; F78-L229 HydrophobicContact CE1-CD2 4.11Å; L212-L229 HydrophobicContact CD1-CB 3.85Å; L212-L229 HydrophobicContact CD1-CD1 4.38Å; L212-L229 HydrophobicContact CD2-CD1 3.95Å; L225-L229 HydrophobicContact CD1-CD1 3.64Å; L225-L229 HydrophobicContact CD1-CG 4.22Å; L225-L229 HydrophobicContact CG-CD1 4.13Å; L225-L229 WeakPolarHBondContact O-CB 3.32Å; L225-L229 WeakPolarHBondContact O-CG 3.11Å; L225-L229 PolarHBondContact O-N 3.39Å; L229-Y232 PolarHBondContact O-N 3.32Å; L229-L233 WeakPolarHBondContact O-CB 2.87Å; L229-L233 VanDerWaalsContact O-CG 3.22Å; L229-L233 WeakPolarHBondContact O-CG 3.3Å; L229-L233 PolarHBondContact O-N 3.49Å
230S92.9Very high86.4Confident27 Ų2739.7 Ų39.719%0.18924%0.237CC..Hα-helixtrans-65.8-43.6175.5-60.60000111.9W213 A226 G227 Y232 L233 A234W213-S230 PolarHBondContact NE1-OG 3.23Å; A226-S230 WeakPolarHBondContact O-CB 3.4Å; A226-S230 PolarHBondContact O-N 2.92Å; A226-S230 PolarHBondContact O-OG 3.31Å; G227-S230 PolarHBondContact O-N 3.29Å; S230-Y232 VanDerWaalsContact C-N 3.31Å; S230-Y232 PolarHBondContact O-N 2.93Å; S230-L233 PolarHBondContact O-N 3.41Å; S230-A234 WeakPolarHBondContact O-CB 3.34Å; S230-A234 PolarHBondContact O-N 3.29Å
231A91.7Very high85.8Confident52 Ų5243.9 Ų43.943%0.4326%0.263SS..Hα-helixtrans-60.2-44174.600000110.9G227 S228 A234 L235G227-A231 WeakPolarHBondContact O-CB 3.45Å; G227-A231 PolarHBondContact O-N 3.07Å; S228-A231 PolarHBondContact O-N 3.25Å; A231-A234 PolarHBondContact O-N 3.37Å; A231-L235 WeakPolarHBondContact O-CB 3.38Å; A231-L235 VanDerWaalsContact O-CG 3.26Å; A231-L235 WeakPolarHBondContact O-CG 3.44Å; A231-L235 PolarHBondContact O-N 2.97Å
232Y89.5Confident85.2Confident40 Ų4049.3 Ų49.316%0.15729%0.288CS..Hα-helixtrans-60-48.9175.3178.9-104.6000112.2I79 H82 S83 S228 L229 S230 A234 L235 A236I79-Y232 HydrophobicContact CG1-CD2 4.39Å; I79-Y232 HydrophobicContact CG1-CG 4.37Å; I79-Y232 HydrophobicContact CG2-CD2 3.63Å; I79-Y232 HydrophobicContact CG2-CE2 3.92Å; I79-Y232 HydrophobicContact CG2-CG 4.42Å; H82-Y232 AromaticContact CD2-CZ 3.92Å; H82-Y232 PolarHBondContact CD2-OH 2.95Å; H82-Y232 VanDerWaalsContact CD2-OH 3.23Å; S83-Y232 WeakPolarHBondContact OG-CE2 3.4Å; S228-Y232 WeakPolarHBondContact O-CB 2.96Å; S228-Y232 PolarHBondContact O-N 2.03Å; L229-Y232 PolarHBondContact O-N 3.32Å; S230-Y232 VanDerWaalsContact C-N 3.31Å; S230-Y232 PolarHBondContact O-N 2.93Å; Y232-A234 VanDerWaalsContact C-N 3.32Å; Y232-A234 PolarHBondContact O-N 3.22Å; Y232-L235 PolarHBondContact O-N 3.43Å; Y232-A236 WeakPolarHBondContact O-CB 3.42Å; Y232-A236 PolarHBondContact O-N 2.84Å
233L86.4Confident84.6Confident20 Ų2048.9 Ų48.911%0.10529%0.287CS..Hα-helixtrans-60.8-39.9178.1-71.3168.8000112.3H202 L208 L229 S230 A236 H237H202-L233 HydrophobicContact CB-CD2 4.27Å; L208-L233 HydrophobicContact CD2-CD1 3.94Å; L208-L233 HydrophobicContact CD2-CD2 4.5Å; L208-L233 HydrophobicContact CG-CD1 4.29Å; L229-L233 WeakPolarHBondContact O-CB 2.87Å; L229-L233 VanDerWaalsContact O-CG 3.22Å; L229-L233 WeakPolarHBondContact O-CG 3.3Å; L229-L233 PolarHBondContact O-N 3.49Å; S230-L233 PolarHBondContact O-N 3.41Å; L233-A236 PolarHBondContact O-N 3.44Å; L233-H237 PolarHBondContact O-N 2.87Å
234A84.9Confident83.7Confident72 Ų7249.9 Ų49.960%0.59530%0.297SS*.Hα-helixtrans-66.2-44.5178.100000111.8S230 A231 Y232 A236 H237S230-A234 WeakPolarHBondContact O-CB 3.34Å; S230-A234 PolarHBondContact O-N 3.29Å; A231-A234 PolarHBondContact O-N 3.37Å; Y232-A234 VanDerWaalsContact C-N 3.32Å; Y232-A234 PolarHBondContact O-N 3.22Å; A234-A236 VanDerWaalsContact C-N 3.33Å; A234-H237 PolarHBondContact O-N 3.32Å
235L83.3Confident83.2Confident152 Ų15250.8 Ų50.880%0.79631%0.31SS*.Hα-helixtrans-70.4-29.1178-68172.5000112.8A231 Y232 H237A231-L235 WeakPolarHBondContact O-CB 3.38Å; A231-L235 VanDerWaalsContact O-CG 3.26Å; A231-L235 WeakPolarHBondContact O-CG 3.44Å; A231-L235 PolarHBondContact O-N 2.97Å; Y232-L235 PolarHBondContact O-N 3.43Å; L235-H237 VanDerWaalsContact C-N 3.31Å
236A73.5Confident82.5Confident9 Ų953 Ų537%0.07432%0.319CS..THydrogen-bonded Turntrans-83.4-5.3179.600000113.6H202 Y232 L233 A234 S238H202-A236 WeakPolarHBondContact NE2-CB 3.44Å; Y232-A236 WeakPolarHBondContact O-CB 3.42Å; Y232-A236 PolarHBondContact O-N 2.84Å; L233-A236 PolarHBondContact O-N 3.44Å; A234-A236 VanDerWaalsContact C-N 3.33Å; A236-S238 PolarHBondContact O-N 3.37Å; A236-S238 PolarHBondContact O-OG 3.31Å
237H68.3Low81.9Confident107 Ų10756.2 Ų56.250%0.49534%0.335SS..  trans-70.3125.3176.3-164.573000110.6L233 A234 L235 L239L233-H237 PolarHBondContact O-N 2.87Å; A234-H237 PolarHBondContact O-N 3.32Å; L235-H237 VanDerWaalsContact C-N 3.31Å; H237-L239 VanDerWaalsContact CE1-CD1 3.45Å; H237-L239 WeakPolarHBondContact CE1-CD1 3.33Å
238S67.1Low81.2Confident49 Ų4958.4 Ų58.434%0.34335%0.346SS..  trans-134.722.8-175.1-54.10000113A236A236-S238 PolarHBondContact O-N 3.37Å; A236-S238 PolarHBondContact O-OG 3.31Å
239L69.6Low80.7Confident44 Ų4461.9 Ų61.923%0.2337%0.366CS..  trans-73.2133.6176.6-66.4-179.1000111H199 L200 H237 D243H199-L239 HydrophobicContact CB-CD2 4.13Å; L200-L239 HydrophobicContact CB-CD2 4.08Å; L200-L239 HydrophobicContact CD1-CD1 3.9Å; L200-L239 HydrophobicContact CD1-CD2 3.81Å; L200-L239 HydrophobicContact CD1-CG 4.32Å; H237-L239 VanDerWaalsContact CE1-CD1 3.45Å; H237-L239 WeakPolarHBondContact CE1-CD1 3.33Å; L239-D243 HydrophobicContact CD2-CB 4.12Å
240D75.8Confident80.3Confident64 Ų6465.5 Ų65.534%0.34238%0.382SS..  trans-104.4161.1173.7172.232.5000110.5R195 Q242 D243 C244R195-D240 IonicContact NH2-OD2 3.03Å; R195-D240 PolarHBondContact NH2-OD2 3.29Å; R195-D240 VanDerWaalsContact NH2-OD2 3.15Å; D240-Q242 PolarHBondContact O-N 2.87Å; D240-Q242 VanDerWaalsContact O-N 3.11Å; D240-D243 PolarHBondContact N-OD2 3.45Å; D240-D243 WeakPolarHBondContact O-CB 3.07Å; D240-D243 PolarHBondContact O-N 3.5Å; D240-C244 PolarHBondContact O-N 3.09Å
241T77.8Confident79.9Confident107 Ų10769.4 Ų69.466%0.65640%0.4SS*.Hα-helixtrans-45.4-38.3174.855.20000113.7C244 A245T241-C244 PolarHBondContact O-N 3.14Å; T241-A245 PolarHBondContact O-N 2.97Å
242Q78.3Confident79.5Confident120 Ų12071.6 Ų71.656%0.56140%0.402SS*.Hα-helixtrans-67.5-34.9177.6-64.5-178.8300113.1D240 Y246D240-Q242 PolarHBondContact O-N 2.87Å; D240-Q242 VanDerWaalsContact O-N 3.11Å; Q242-Y246 PolarHBondContact O-N 2.97Å; Q242-Y246 VanDerWaalsContact O-N 3.11Å
243D77.6Confident79.2Confident3 Ų372.7 Ų72.72%0.01642%0.415CS..Hα-helixtrans-72.2-40.8176.5-61.5-63.6000110.9R195 L196 H199 L239 D240 A245 Y246 L247R195-D243 IonicContact CZ-OD1 2.79Å; R195-D243 IonicContact CZ-OD2 3.8Å; R195-D243 IonicContact NH1-OD1 3.98Å; R195-D243 PolarHBondContact NH1-OD1 2.91Å; R195-D243 IonicContact NH1-OD2 2.68Å; R195-D243 PolarHBondContact NH1-OD2 3.22Å; R195-D243 IonicContact NH2-OD2 3.15Å; L196-D243 HydrophobicContact CD1-CB 3.99Å; H199-D243 IonicContact CE1-OD2 2.85Å; H199-D243 IonicContact CG-OD2 3.63Å; H199-D243 IonicContact ND1-OD1 3.31Å; H199-D243 IonicContact ND1-OD2 3.98Å; H199-D243 PolarHBondContact ND1-OD2 3.18Å; L239-D243 HydrophobicContact CD2-CB 4.12Å; D240-D243 PolarHBondContact N-OD2 3.45Å; D240-D243 WeakPolarHBondContact O-CB 3.07Å; D240-D243 PolarHBondContact O-N 3.5Å; D243-A245 VanDerWaalsContact C-N 3.32Å; D243-A245 PolarHBondContact O-N 3.02Å; D243-Y246 PolarHBondContact O-N 3.39Å; D243-L247 WeakPolarHBondContact O-CG 3.3Å; D243-L247 PolarHBondContact O-N 3Å
244C75.8Confident79Confident68 Ų6877.2 Ų77.246%0.45943%0.434SS..Hα-helixtrans-59.9-42.7174.3-67.70000111.7D240 T241 L247 S248D240-C244 PolarHBondContact O-N 3.09Å; T241-C244 PolarHBondContact O-N 3.14Å; C244-L247 PolarHBondContact O-N 3.08Å; C244-S248 WeakPolarHBondContact O-CB 3.5Å; C244-S248 PolarHBondContact O-N 3.3Å
245A82.1Confident79Confident56 Ų5678.5 Ų78.546%0.46343%0.43SS..Hα-helixtrans-62.5-43.1175.400000111.9T241 D243 S248 V249T241-A245 PolarHBondContact O-N 2.97Å; D243-A245 VanDerWaalsContact C-N 3.32Å; D243-A245 PolarHBondContact O-N 3.02Å; A245-S248 PolarHBondContact O-N 3.29Å; A245-V249 WeakPolarHBondContact O-CG2 3.39Å; A245-V249 PolarHBondContact O-N 3.43Å; A245-V249 VanDerWaalsContact O-N 3.11Å
246Y81.3Confident79Confident51 Ų5178.3 Ų78.320%0.242%0.419CS..Hα-helixtrans-62.4-45176.5176.4-101.8000112.4R192 L196 Q242 D243 V249 Q250R192-Y246 HydrophobicContact CB-CD2 4.27Å; R192-Y246 HydrophobicContact CB-CE2 3.9Å; L196-Y246 HydrophobicContact CB-CD1 4.39Å; L196-Y246 HydrophobicContact CB-CE1 4.47Å; L196-Y246 HydrophobicContact CD2-CD1 3.88Å; L196-Y246 HydrophobicContact CD2-CE1 3.76Å; Q242-Y246 PolarHBondContact O-N 2.97Å; Q242-Y246 VanDerWaalsContact O-N 3.11Å; D243-Y246 PolarHBondContact O-N 3.39Å; Y246-V249 PolarHBondContact O-N 3.34Å; Y246-Q250 HydrophobicContact CE1-CG 4.16Å; Y246-Q250 HydrophobicContact CE2-CG 4.49Å; Y246-Q250 PolarHBondContact O-N 3.34Å; Y246-Q250 PolarHBondContact OH-NE2 3.13Å
247L80.8Confident79.4Confident68 Ų6883.3 Ų83.336%0.35644%0.444SS..Hα-helixtrans-61.5-42.5176.3-76171.3000112L196 D243 C244 V249 Q250 L251L196-L247 HydrophobicContact CD1-CD1 4.05Å; L196-L247 HydrophobicContact CD1-CD2 4.18Å; L196-L247 HydrophobicContact CD1-CG 3.97Å; L196-L247 HydrophobicContact CD2-CD2 3.77Å; L196-L247 HydrophobicContact CD2-CG 4.35Å; D243-L247 WeakPolarHBondContact O-CG 3.3Å; D243-L247 PolarHBondContact O-N 3Å; C244-L247 PolarHBondContact O-N 3.08Å; L247-V249 PolarHBondContact O-N 2.79Å; L247-Q250 PolarHBondContact O-N 3.04Å; L247-L251 WeakPolarHBondContact O-CB 3.28Å; L247-L251 PolarHBondContact O-N 3.46Å
248S81.6Confident79.9Confident74 Ų7486.6 Ų86.652%0.51746%0.457SS..Hα-helixtrans-60.1-44.9177.3-179.50000112C244 A245 Q250 L251 H252C244-S248 WeakPolarHBondContact O-CB 3.5Å; C244-S248 PolarHBondContact O-N 3.3Å; A245-S248 PolarHBondContact O-N 3.29Å; S248-Q250 PolarHBondContact O-N 3.27Å; S248-L251 PolarHBondContact O-N 3.18Å; S248-H252 WeakPolarHBondContact O-CB 3.33Å; S248-H252 PolarHBondContact O-N 3.2Å
249V84.6Confident80.4Confident103 Ų10388.4 Ų88.462%0.62447%0.469SS*.Hα-helixtrans-63.1-44.1177172.20000111.6A245 Y246 L247 H252 S253A245-V249 WeakPolarHBondContact O-CG2 3.39Å; A245-V249 PolarHBondContact O-N 3.43Å; A245-V249 VanDerWaalsContact O-N 3.11Å; Y246-V249 PolarHBondContact O-N 3.34Å; L247-V249 PolarHBondContact O-N 2.79Å; V249-H252 PolarHBondContact O-N 3.43Å; V249-S253 WeakPolarHBondContact O-CB 3.5Å; V249-S253 PolarHBondContact O-N 2.95Å
250Q82.8Confident80.7Confident90 Ų9092 Ų9242%0.42149%0.488SS..Hα-helixtrans-59.6-49.6175.2-91.9-113.511.200111.8Y246 L247 S248 H252 S253 K254Y246-Q250 HydrophobicContact CE1-CG 4.16Å; Y246-Q250 HydrophobicContact CE2-CG 4.49Å; Y246-Q250 PolarHBondContact O-N 3.34Å; Y246-Q250 PolarHBondContact OH-NE2 3.13Å; L247-Q250 PolarHBondContact O-N 3.04Å; S248-Q250 PolarHBondContact O-N 3.27Å; Q250-H252 PolarHBondContact O-N 3.03Å; Q250-S253 PolarHBondContact O-N 3.25Å; Q250-K254 WeakPolarHBondContact O-CG 3.48Å; Q250-K254 PolarHBondContact O-N 2.96Å
251L84.6Confident80Confident108 Ų10893.2 Ų93.257%0.56550%0.5SS*.Hα-helixtrans-60.6-46.9179.7-179.263.5000111L247 S248 S253 K254 L255L247-L251 WeakPolarHBondContact O-CB 3.28Å; L247-L251 PolarHBondContact O-N 3.46Å; S248-L251 PolarHBondContact O-N 3.18Å; L251-S253 VanDerWaalsContact C-N 3.31Å; L251-S253 PolarHBondContact O-N 2.98Å; L251-K254 PolarHBondContact O-N 3.49Å; L251-L255 HydrophobicContact CD1-CD1 4.21Å; L251-L255 HydrophobicContact CD1-CG 4.28Å; L251-L255 HydrophobicContact CG-CD1 3.92Å; L251-L255 HydrophobicContact CG-CG 4.4Å; L251-L255 WeakPolarHBondContact O-CB 3.24Å; L251-L255 WeakPolarHBondContact O-CG 3.39Å; L251-L255 PolarHBondContact O-N 3.4Å
252H84.1Confident79.1Confident99 Ų9997.5 Ų97.546%0.45851%0.513SS..Hα-helixtrans-65.7-34.7179.6-165.3-40.5000112.2S248 V249 Q250 R256S248-H252 WeakPolarHBondContact O-CB 3.33Å; S248-H252 PolarHBondContact O-N 3.2Å; V249-H252 PolarHBondContact O-N 3.43Å; Q250-H252 PolarHBondContact O-N 3.03Å; H252-R256 PolarHBondContact CE1-NE 3.32Å; H252-R256 VanDerWaalsContact CE1-NE 3.29Å; H252-R256 PolarHBondContact ND1-NE 2.87Å; H252-R256 PolarHBondContact ND1-NH2 3.4Å; H252-R256 WeakPolarHBondContact O-CB 3.39Å; H252-R256 WeakPolarHBondContact O-CG 3.47Å; H252-R256 PolarHBondContact O-N 2.79Å
253S82.8Confident77.7Confident62 Ų6298.7 Ų98.743%0.43452%0.523SS..Hα-helixtrans-65.1-43173.9176.30000111.6V249 Q250 L251 R256 L257V249-S253 WeakPolarHBondContact O-CB 3.5Å; V249-S253 PolarHBondContact O-N 2.95Å; Q250-S253 PolarHBondContact O-N 3.25Å; L251-S253 VanDerWaalsContact C-N 3.31Å; L251-S253 PolarHBondContact O-N 2.98Å; S253-R256 PolarHBondContact O-N 3.24Å; S253-L257 PolarHBondContact O-N 2.82Å; S253-L257 VanDerWaalsContact O-N 3.15Å
254K82.8Confident76.3Confident115 Ų115101.4 Ų101.450%0.555%0.551SS.*Hα-helixtrans-67.7-44.8176.8-68.6-68.4-173.41790112.4Q250 L251 R256 L257 F258Q250-K254 WeakPolarHBondContact O-CG 3.48Å; Q250-K254 PolarHBondContact O-N 2.96Å; L251-K254 PolarHBondContact O-N 3.49Å; K254-R256 VanDerWaalsContact C-N 3.27Å; K254-R256 PolarHBondContact O-N 3.43Å; K254-L257 HydrophobicContact CD-CD1 4.48Å; K254-L257 WeakPolarHBondContact O-CB 3.47Å; K254-L257 PolarHBondContact O-N 3.28Å; K254-L257 VanDerWaalsContact O-N 3.14Å; K254-F258 WeakPolarHBondContact O-CD2 3.48Å; K254-F258 PolarHBondContact O-N 3.14Å; K254-F258 VanDerWaalsContact O-N 3.09Å
255L84.3Confident74.9Confident100 Ų100105.6 Ų105.652%0.52458%0.575SS.*Hα-helixtrans-60.1-39.6175.2-73171.6000111.5L251 L257 F258 S259L251-L255 HydrophobicContact CD1-CD1 4.21Å; L251-L255 HydrophobicContact CD1-CG 4.28Å; L251-L255 HydrophobicContact CG-CD1 3.92Å; L251-L255 HydrophobicContact CG-CG 4.4Å; L251-L255 WeakPolarHBondContact O-CB 3.24Å; L251-L255 WeakPolarHBondContact O-CG 3.39Å; L251-L255 PolarHBondContact O-N 3.4Å; L255-L257 VanDerWaalsContact C-N 3.33Å; L255-L257 PolarHBondContact O-N 2.79Å; L255-F258 PolarHBondContact O-N 2.95Å; L255-S259 WeakPolarHBondContact O-CB 3.46Å; L255-S259 PolarHBondContact O-N 2.95Å; L255-S259 PolarHBondContact O-OG 3.28Å
256R82.8Confident73.1Confident147 Ų147107 Ų10756%0.55559%0.587SS**Hα-helixtrans-60.3-41.2174.1-91-170.3-92.4-158.3-14.9112.9H252 S253 K254 F258 S259 L260H252-R256 PolarHBondContact CE1-NE 3.32Å; H252-R256 VanDerWaalsContact CE1-NE 3.29Å; H252-R256 PolarHBondContact ND1-NE 2.87Å; H252-R256 PolarHBondContact ND1-NH2 3.4Å; H252-R256 WeakPolarHBondContact O-CB 3.39Å; H252-R256 WeakPolarHBondContact O-CG 3.47Å; H252-R256 PolarHBondContact O-N 2.79Å; S253-R256 PolarHBondContact O-N 3.24Å; K254-R256 VanDerWaalsContact C-N 3.27Å; K254-R256 PolarHBondContact O-N 3.43Å; R256-F258 VanDerWaalsContact C-N 3.32Å; R256-S259 WeakPolarHBondContact CA-OG 3.27Å; R256-S259 PolarHBondContact O-N 3.28Å; R256-S259 PolarHBondContact O-OG 3.14Å; R256-L260 VanDerWaalsContact O-CD1 3.3Å; R256-L260 WeakPolarHBondContact O-CD1 3.15Å; R256-L260 PolarHBondContact O-N 3.44Å; R256-L260 VanDerWaalsContact O-N 3.08Å
257L82.2Confident71.2Confident114 Ų114113.7 Ų113.760%0.59762%0.62SS**Hα-helixtrans-63.2-37.5175.2-80.6155.7000112.2S253 K254 L255S253-L257 PolarHBondContact O-N 2.82Å; S253-L257 VanDerWaalsContact O-N 3.15Å; K254-L257 HydrophobicContact CD-CD1 4.48Å; K254-L257 WeakPolarHBondContact O-CB 3.47Å; K254-L257 PolarHBondContact O-N 3.28Å; K254-L257 VanDerWaalsContact O-N 3.14Å; L255-L257 VanDerWaalsContact C-N 3.33Å; L255-L257 PolarHBondContact O-N 2.79Å
258F79.1Confident69.2Low176 Ų176117 Ų11777%0.77264%0.638SS**Hα-helixtrans-75.7-25.4176.2-69.8-62.8000113.7K254 L255 R256K254-F258 WeakPolarHBondContact O-CD2 3.48Å; K254-F258 PolarHBondContact O-N 3.14Å; K254-F258 VanDerWaalsContact O-N 3.09Å; L255-F258 PolarHBondContact O-N 2.95Å; R256-F258 VanDerWaalsContact C-N 3.32Å
259S78.6Confident67.2Low87 Ų87121.2 Ų121.261%0.60866%0.655SS**Hα-helixtrans-87.9-10.5177.664.50000114L255 R256L255-S259 WeakPolarHBondContact O-CB 3.46Å; L255-S259 PolarHBondContact O-N 2.95Å; L255-S259 PolarHBondContact O-OG 3.28Å; R256-S259 WeakPolarHBondContact CA-OG 3.27Å; R256-S259 PolarHBondContact O-N 3.28Å; R256-S259 PolarHBondContact O-OG 3.14Å
260L75.1Confident65.5Low119 Ų119122.3 Ų122.362%0.62366%0.657SS**SBendtrans-66.2129.8172.7-111.887.5000108.3R256 Q262R256-L260 VanDerWaalsContact O-CD1 3.3Å; R256-L260 WeakPolarHBondContact O-CD1 3.15Å; R256-L260 PolarHBondContact O-N 3.44Å; R256-L260 VanDerWaalsContact O-N 3.08Å; L260-Q262 PolarHBondContact O-N 3.3Å
261P61.2Low63.7Low91 Ų91125.6 Ų125.659%0.59168%0.678SS**  trans-53.4132.6167.6-19.830.6000108.5D263P261-D263 PolarHBondContact O-N 2.99Å
262Q58.5Low61.8Low197 Ų197129.5 Ų129.592%0.92169%0.692SS**  trans-72.566.1166.8-167.7172.5-1200107.4L260 G264L260-Q262 PolarHBondContact O-N 3.3Å; Q262-G264 PolarHBondContact O-N 2.99Å; Q262-G264 VanDerWaalsContact O-N 3.14Å
263D48.7Very low59.8Low144 Ų144134.6 Ų134.677%0.7771%0.713SS**  trans-66.2116.9176.5-82.3-22.9000107.6P261P261-D263 PolarHBondContact O-N 2.99Å
264G48.1Very low57.9Low60 Ų60140.3 Ų140.362%0.61973%0.733SS**  trans-55144.6-165.700000113.5Q262 A266Q262-G264 PolarHBondContact O-N 2.99Å; Q262-G264 VanDerWaalsContact O-N 3.14Å; G264-A266 PolarHBondContact O-N 3.49Å
265T46.8Very low55.7Low156 Ų156147.2 Ų147.296%0.95777%0.767SS**SBendtrans-42.588.6143.539.40000110.9
266A44.5Very low54.3Low86 Ų86149.6 Ų149.671%0.71178%0.779SS**  trans-149.760.9160.600000107.5G264 N268G264-A266 PolarHBondContact O-N 3.49Å; A266-N268 PolarHBondContact O-N 3.32Å
267Q41.1Very low52.8Low191 Ų191149.7 Ų149.789%0.89379%0.791SS**  trans-67.598.4157.6-114.2-177.9-25.500106.6N269Q267-N269 PolarHBondContact O-N 3.06Å
268N38Very low51.2Low137 Ų137151.7 Ų151.773%0.73380%0.802SS**  trans-48.397.4169.3-155.319.2000108.7A266 D270A266-N268 PolarHBondContact O-N 3.32Å; N268-D270 PolarHBondContact O-N 2.96Å
269N41.5Very low49.5Very low163 Ų163150.3 Ų150.387%0.87280%0.804SS**  trans-92.350176.6-130.917.3000108.8Q267Q267-N269 PolarHBondContact O-N 3.06Å
270D47Very low47.7Very low126 Ų126154.3 Ų154.367%0.67482%0.816SS**  trans-122.986.4171.4-87.5-23.8000107.5N268N268-D270 PolarHBondContact O-N 2.96Å
271N45Very low45.9Very low160 Ų160156.6 Ų156.686%0.85683%0.829SS**  trans-174.780148.1-94.3-17.5000110
272H45Very low44.8Very low189 Ų189161.3 Ų161.388%0.87585%0.846SS**  trans-166.986.2135.3-107.8-41.2000110.5
273K43.2Very low43.7Very low207 Ų207158.5 Ų158.590%0.984%0.84SS**  trans-165.292.9152.5-109.4179.2-173.7-176.70109.5
274Q41.7Very low43.3Very low181 Ų181159.8 Ų159.885%0.84685%0.846SS**  trans175.3125.4164.8-97.51691.100102.2
275E37.8Very low42.9Very low261 Ų261168.8 Ų168.8100%1.2287%0.867SS**  cis-1560-2.5-114.9-178.5142.900105.5

Retrieved 275 of 275 residues in 853.6 ms (Link to these results)

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