A0A077ZML0_TRITR Loading...

Zf-RING 2 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZML0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 276 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
1M77.3Confident89.2Confident141 Ų14189.5 Ų89.570%0.69549%0.486SS*.  0-66.40-55.9-153.4-68.500111.9A3 Q4 M5M1-A3 PolarHBondContact O-N 3.37Å; M1-Q4 WeakPolarHBondContact O-CB 3.5Å; M1-Q4 PolarHBondContact O-N 3.26Å; M1-M5 PolarHBondContact O-N 3Å; M1-M5 VanDerWaalsContact O-N 3.08Å
2H85.8Confident89.5Confident151 Ų15183.4 Ų83.470%0.69946%0.457SS*.Hα-helixtrans-56.1-42.3179.4-62.1-59.3000115Q4 M5 V6H2-Q4 VanDerWaalsContact C-N 3.3Å; H2-Q4 PolarHBondContact O-N 3.08Å; H2-M5 PolarHBondContact O-N 3.5Å; H2-V6 WeakPolarHBondContact O-CG2 3.37Å; H2-V6 PolarHBondContact O-N 3.46Å
3A88.7Confident89.6Confident79 Ų7979.7 Ų79.765%0.65344%0.438SS*.Hα-helixtrans-61.6-36.7177.100000113M1 L7M1-A3 PolarHBondContact O-N 3.37Å; A3-L7 WeakPolarHBondContact O-CB 3.4Å; A3-L7 PolarHBondContact O-N 3.05Å
4Q89.2Confident89.8Confident104 Ų10485 Ų8549%0.48646%0.455SS..Hα-helixtrans-69.7-43.9177-72.9166-4500111.1M1 H2 V6 L7 I8 L275M1-Q4 WeakPolarHBondContact O-CB 3.5Å; M1-Q4 PolarHBondContact O-N 3.26Å; H2-Q4 VanDerWaalsContact C-N 3.3Å; H2-Q4 PolarHBondContact O-N 3.08Å; Q4-V6 VanDerWaalsContact C-N 3.32Å; Q4-V6 PolarHBondContact O-N 2.96Å; Q4-L7 PolarHBondContact O-N 3.23Å; Q4-I8 VanDerWaalsContact O-CG1 3.27Å; Q4-I8 WeakPolarHBondContact O-CG1 3.39Å; Q4-I8 PolarHBondContact O-N 3.49Å; Q4-L275 HydrophobicContact CB-CD1 4.48Å; Q4-L275 HydrophobicContact CB-CD2 4.32Å
5M90.4Very high90.1Very high36 Ų3686.5 Ų86.518%0.17746%0.463CS..Hα-helixtrans-58.8-43.4175.6-70.1-168.4-101.400112.1M1 H2 I8 L9 L275M1-M5 PolarHBondContact O-N 3Å; M1-M5 VanDerWaalsContact O-N 3.08Å; H2-M5 PolarHBondContact O-N 3.5Å; M5-I8 PolarHBondContact O-N 3.34Å; M5-L9 WeakPolarHBondContact O-CB 3.27Å; M5-L9 PolarHBondContact O-N 3.48Å; M5-L275 WeakPolarHBondContact CE-O 3.35Å; M5-L275 HydrophobicContact CG-CB 4.05Å
6V89Confident90.2Very high82 Ų8282.3 Ų82.350%0.49745%0.445SS..Hα-helixtrans-65.7-42.3177.3173.60000111.1H2 Q4 I8 L9 L10H2-V6 WeakPolarHBondContact O-CG2 3.37Å; H2-V6 PolarHBondContact O-N 3.46Å; Q4-V6 VanDerWaalsContact C-N 3.32Å; Q4-V6 PolarHBondContact O-N 2.96Å; V6-I8 PolarHBondContact O-N 3.37Å; V6-L9 PolarHBondContact O-N 2.91Å; V6-L10 HydrophobicContact CG1-CD1 4.01Å; V6-L10 HydrophobicContact CG1-CG 4.33Å; V6-L10 WeakPolarHBondContact O-CG 2.99Å; V6-L10 PolarHBondContact O-N 3.45Å
7L92Very high90.2Very high111 Ų11182.2 Ų82.258%0.58144%0.442SS*.Hα-helixtrans-62.1-44177.2-17172.9000111.5A3 Q4 L9 L10 C11A3-L7 WeakPolarHBondContact O-CB 3.4Å; A3-L7 PolarHBondContact O-N 3.05Å; Q4-L7 PolarHBondContact O-N 3.23Å; L7-L9 VanDerWaalsContact C-N 3.34Å; L7-L9 PolarHBondContact O-N 3.28Å; L7-L10 PolarHBondContact O-N 2.91Å; L7-C11 WeakPolarHBondContact O-CB 3.35Å; L7-C11 PolarHBondContact O-N 3.01Å; L7-C11 PolarHBondContact O-SG 2.96Å; L7-C11 VanDerWaalsContact O-SG 3.34Å
8I91.5Very high90.3Very high44 Ų4484.3 Ų84.323%0.22645%0.446CS..Hα-helixtrans-60.6-45.4176.1-67.9165.5000110.3Q4 M5 V6 C11 A12 V266 V269 N270 L273 L275Q4-I8 VanDerWaalsContact O-CG1 3.27Å; Q4-I8 WeakPolarHBondContact O-CG1 3.39Å; Q4-I8 PolarHBondContact O-N 3.49Å; M5-I8 PolarHBondContact O-N 3.34Å; V6-I8 PolarHBondContact O-N 3.37Å; I8-C11 PolarHBondContact O-N 3.3Å; I8-A12 VanDerWaalsContact O-CB 3.27Å; I8-A12 WeakPolarHBondContact O-CB 3.31Å; I8-A12 PolarHBondContact O-N 2.96Å; I8-V266 HydrophobicContact CG2-CG1 4.13Å; I8-V269 HydrophobicContact CG2-CG1 4.23Å; I8-N270 WeakPolarHBondContact CD1-OD1 3.4Å; I8-L273 HydrophobicContact CD1-CD1 3.91Å; I8-L275 HydrophobicContact CD1-CD1 3.47Å; I8-L275 VanDerWaalsContact CD1-CD1 3.47Å
9L90.7Very high90.4Very high63 Ų6384.1 Ų84.133%0.3345%0.451SS..Hα-helixtrans-60.1-48.6177.4179.463.3000111.9M5 V6 L7 C11 A12 V13 V263 V266M5-L9 WeakPolarHBondContact O-CB 3.27Å; M5-L9 PolarHBondContact O-N 3.48Å; V6-L9 PolarHBondContact O-N 2.91Å; L7-L9 VanDerWaalsContact C-N 3.34Å; L7-L9 PolarHBondContact O-N 3.28Å; L9-C11 PolarHBondContact O-N 3.39Å; L9-A12 PolarHBondContact O-N 2.97Å; L9-V13 HydrophobicContact CD1-CG2 4.17Å; L9-V13 HydrophobicContact CG-CG2 4.49Å; L9-V13 WeakPolarHBondContact O-CB 3.48Å; L9-V13 VanDerWaalsContact O-CG2 3.3Å; L9-V13 WeakPolarHBondContact O-CG2 3.47Å; L9-V13 PolarHBondContact O-N 3.26Å; L9-V263 HydrophobicContact CD1-CG2 4.38Å; L9-V266 HydrophobicContact CB-CG1 4.11Å; L9-V266 HydrophobicContact CD1-CB 4.24Å; L9-V266 HydrophobicContact CD1-CG1 4.07Å; L9-V266 HydrophobicContact CD1-CG2 4.06Å
10L92.8Very high90.5Very high109 Ų10980.7 Ų80.757%0.57143%0.433SS*.Hα-helixtrans-62.2-45-179.9-71.3174.8000111.7V6 L7 A12 V13 F14V6-L10 HydrophobicContact CG1-CD1 4.01Å; V6-L10 HydrophobicContact CG1-CG 4.33Å; V6-L10 WeakPolarHBondContact O-CG 2.99Å; V6-L10 PolarHBondContact O-N 3.45Å; L7-L10 PolarHBondContact O-N 2.91Å; L10-A12 PolarHBondContact O-N 3.4Å; L10-V13 PolarHBondContact O-N 3.48Å; L10-F14 WeakPolarHBondContact O-CB 3.3Å; L10-F14 PolarHBondContact O-N 3.06Å
11C93.9Very high90.5Very high64 Ų6480 Ų8043%0.43243%0.431SS..Hα-helixtrans-60.5-45175.2-73.90000111.5L7 I8 L9 F14 L15L7-C11 WeakPolarHBondContact O-CB 3.35Å; L7-C11 PolarHBondContact O-N 3.01Å; L7-C11 PolarHBondContact O-SG 2.96Å; L7-C11 VanDerWaalsContact O-SG 3.34Å; I8-C11 PolarHBondContact O-N 3.3Å; L9-C11 PolarHBondContact O-N 3.39Å; C11-F14 PolarHBondContact O-N 3.14Å; C11-L15 WeakPolarHBondContact O-CB 3.44Å; C11-L15 VanDerWaalsContact O-CG 3.31Å; C11-L15 WeakPolarHBondContact O-CG 3.31Å; C11-L15 PolarHBondContact O-N 3Å
12A92.7Very high91.3Very high17 Ų1777.3 Ų77.314%0.1442%0.417CS..Hα-helixtrans-65.6-39.917900000112.6I8 L9 L10 G16 I262 V266I8-A12 VanDerWaalsContact O-CB 3.27Å; I8-A12 WeakPolarHBondContact O-CB 3.31Å; I8-A12 PolarHBondContact O-N 2.96Å; L9-A12 PolarHBondContact O-N 2.97Å; L10-A12 PolarHBondContact O-N 3.4Å; A12-G16 WeakPolarHBondContact O-CA 3.48Å; A12-G16 PolarHBondContact O-N 3.4Å; A12-I262 HydrophobicContact CB-CG2 4.28Å; A12-V266 HydrophobicContact CB-CG2 3.26Å
13V90.8Very high91.7Very high35 Ų3573.9 Ų73.921%0.21240%0.398CS..Hα-helixtrans-63.1-44.91751690000110.7L9 L10 Q17 I262L9-V13 HydrophobicContact CD1-CG2 4.17Å; L9-V13 HydrophobicContact CG-CG2 4.49Å; L9-V13 WeakPolarHBondContact O-CB 3.48Å; L9-V13 VanDerWaalsContact O-CG2 3.3Å; L9-V13 WeakPolarHBondContact O-CG2 3.47Å; L9-V13 PolarHBondContact O-N 3.26Å; L10-V13 PolarHBondContact O-N 3.48Å; V13-Q17 WeakPolarHBondContact O-CB 3.27Å; V13-Q17 VanDerWaalsContact O-CG 3.22Å; V13-Q17 WeakPolarHBondContact O-CG 3.3Å; V13-Q17 PolarHBondContact O-N 3.39Å; V13-I262 HydrophobicContact CG2-CG2 3.92Å
14F92.8Very high91.8Very high154 Ų15473.3 Ų73.368%0.67538%0.381SS*.Hα-helixtrans-66.9-48.8180-171.8-93.9000112.4L10 C11 G16 Q17 F18L10-F14 WeakPolarHBondContact O-CB 3.3Å; L10-F14 PolarHBondContact O-N 3.06Å; C11-F14 PolarHBondContact O-N 3.14Å; F14-G16 VanDerWaalsContact C-N 3.34Å; F14-G16 PolarHBondContact O-N 2.89Å; F14-Q17 WeakPolarHBondContact O-CB 3.49Å; F14-Q17 PolarHBondContact O-N 3.34Å; F14-F18 PolarHBondContact O-N 3.49Å
15L94.2Very high91.9Very high108 Ų10875.9 Ų75.957%0.56539%0.39SS*.Hα-helixtrans-63.5-42176.6-70.2171.7000111.2C11 Q17 F18 C19C11-L15 WeakPolarHBondContact O-CB 3.44Å; C11-L15 VanDerWaalsContact O-CG 3.31Å; C11-L15 WeakPolarHBondContact O-CG 3.31Å; C11-L15 PolarHBondContact O-N 3Å; L15-Q17 PolarHBondContact O-N 2.87Å; L15-F18 PolarHBondContact O-N 3.45Å; L15-C19 WeakPolarHBondContact O-CB 3.42Å; L15-C19 PolarHBondContact O-N 3.34Å; L15-C19 PolarHBondContact O-SG 3.47Å
16G91.4Very high92.1Very high18 Ų1884 Ų8419%0.18642%0.419CS..Hα-helixtrans-58.3-48.2174.900000111.8A12 F14 F18 C19 L20A12-G16 WeakPolarHBondContact O-CA 3.48Å; A12-G16 PolarHBondContact O-N 3.4Å; F14-G16 VanDerWaalsContact C-N 3.34Å; F14-G16 PolarHBondContact O-N 2.89Å; G16-F18 PolarHBondContact O-N 2.88Å; G16-C19 PolarHBondContact O-N 3.36Å; G16-L20 WeakPolarHBondContact O-CB 3.36Å; G16-L20 WeakPolarHBondContact O-CG 3.4Å; G16-L20 PolarHBondContact O-N 2.99Å
17Q90.2Very high92.2Very high82 Ų8285.1 Ų85.138%0.38342%0.419SS..Hα-helixtrans-56.6-48.6174.3-79.5-109.3-5.200111.9V13 F14 L15 C19 L20 V21 Y254V13-Q17 WeakPolarHBondContact O-CB 3.27Å; V13-Q17 VanDerWaalsContact O-CG 3.22Å; V13-Q17 WeakPolarHBondContact O-CG 3.3Å; V13-Q17 PolarHBondContact O-N 3.39Å; F14-Q17 WeakPolarHBondContact O-CB 3.49Å; F14-Q17 PolarHBondContact O-N 3.34Å; L15-Q17 PolarHBondContact O-N 2.87Å; Q17-C19 PolarHBondContact O-N 3.49Å; Q17-L20 PolarHBondContact O-N 3.28Å; Q17-V21 WeakPolarHBondContact O-CG2 3.29Å; Q17-V21 PolarHBondContact O-N 2.81Å; Q17-Y254 HydrophobicContact CG-CE2 4.04Å; Q17-Y254 WeakPolarHBondContact CG-OH 3.47Å; Q17-Y254 PolarHBondContact NE2-OH 2.89Å; Q17-Y254 VanDerWaalsContact NE2-OH 3.15Å
18F92.2Very high92Very high120 Ų12083.9 Ų83.953%0.52641%0.409SS..Hα-helixtrans-59.8-49.9179.2-177.6-96.4000111.6F14 L15 G16 L20 V21 Q22F14-F18 PolarHBondContact O-N 3.49Å; L15-F18 PolarHBondContact O-N 3.45Å; G16-F18 PolarHBondContact O-N 2.88Å; F18-L20 VanDerWaalsContact C-N 3.32Å; F18-L20 PolarHBondContact O-N 3.23Å; F18-V21 PolarHBondContact O-N 3.21Å; F18-Q22 HydrophobicContact CD1-CG 4.17Å; F18-Q22 HydrophobicContact CE1-CG 3.79Å; F18-Q22 HydrophobicContact CE2-CG 4.34Å; F18-Q22 HydrophobicContact CZ-CG 3.89Å; F18-Q22 WeakPolarHBondContact O-CG 3.35Å; F18-Q22 PolarHBondContact O-N 2.98Å
19C93.1Very high91.7Very high80 Ų8091.5 Ų91.554%0.54144%0.435SS..Hα-helixtrans-58.1-43.3177.6-71.90000112L15 G16 Q17 Q22 W23L15-C19 WeakPolarHBondContact O-CB 3.42Å; L15-C19 PolarHBondContact O-N 3.34Å; L15-C19 PolarHBondContact O-SG 3.47Å; G16-C19 PolarHBondContact O-N 3.36Å; Q17-C19 PolarHBondContact O-N 3.49Å; C19-Q22 PolarHBondContact O-N 3.5Å; C19-W23 VanDerWaalsContact O-CB 3.31Å; C19-W23 WeakPolarHBondContact O-CB 3.34Å; C19-W23 PolarHBondContact O-N 2.9Å
20L91.6Very high91.8Very high16 Ų1691 Ų918%0.08444%0.437CS..Hα-helixtrans-66.1-41.1179.2-71171.7000112.6G16 Q17 F18 W23 K24 Y31 Y254 W258G16-L20 WeakPolarHBondContact O-CB 3.36Å; G16-L20 WeakPolarHBondContact O-CG 3.4Å; G16-L20 PolarHBondContact O-N 2.99Å; Q17-L20 PolarHBondContact O-N 3.28Å; F18-L20 VanDerWaalsContact C-N 3.32Å; F18-L20 PolarHBondContact O-N 3.23Å; L20-W23 HydrophobicContact CD2-CE3 4.18Å; L20-W23 PolarHBondContact O-N 3.49Å; L20-K24 WeakPolarHBondContact O-CB 3.49Å; L20-K24 PolarHBondContact O-N 3.27Å; L20-Y31 HydrophobicContact CD2-CE2 4.3Å; L20-Y254 HydrophobicContact CD1-CD2 4.04Å; L20-Y254 HydrophobicContact CD1-CE2 4Å; L20-W258 HydrophobicContact CD1-CB 3.74Å; L20-W258 HydrophobicContact CD1-CD2 3.65Å; L20-W258 HydrophobicContact CD1-CE3 4.06Å; L20-W258 HydrophobicContact CD1-CG 3.48Å; L20-W258 VanDerWaalsContact CD1-CG 3.48Å; L20-W258 HydrophobicContact CD2-CD2 3.45Å; L20-W258 VanDerWaalsContact CD2-CD2 3.45Å; L20-W258 HydrophobicContact CD2-CE3 3.73Å; L20-W258 HydrophobicContact CD2-CG 4.07Å; L20-W258 HydrophobicContact CD2-CH2 3.84Å; L20-W258 HydrophobicContact CD2-CZ2 3.52Å; L20-W258 HydrophobicContact CD2-CZ3 3.92Å; L20-W258 HydrophobicContact CG-CD2 4.19Å; L20-W258 HydrophobicContact CG-CE3 4.44Å; L20-W258 HydrophobicContact CG-CG 4.44Å
21V90.3Very high91.7Very high65 Ų6586.6 Ų86.639%0.39441%0.412SS..Hα-helixtrans-65.1-42.9176.3171.50000110.7Q17 F18 K24 K25Q17-V21 WeakPolarHBondContact O-CG2 3.29Å; Q17-V21 PolarHBondContact O-N 2.81Å; F18-V21 PolarHBondContact O-N 3.21Å; V21-K24 PolarHBondContact O-N 3.11Å; V21-K25 HydrophobicContact CG1-CD 4.41Å; V21-K25 WeakPolarHBondContact O-CG 3.22Å; V21-K25 PolarHBondContact O-N 3.15Å; V21-K25 VanDerWaalsContact O-N 3.08Å
22Q94.2Very high91.5Very high85 Ų8584.2 Ų84.240%0.39740%0.395SS..Hα-helixtrans-65.3-40.4176.4-66.9-56.9-26.300111.8F18 C19 K25 R26F18-Q22 HydrophobicContact CD1-CG 4.17Å; F18-Q22 HydrophobicContact CE1-CG 3.79Å; F18-Q22 HydrophobicContact CE2-CG 4.34Å; F18-Q22 HydrophobicContact CZ-CG 3.89Å; F18-Q22 WeakPolarHBondContact O-CG 3.35Å; F18-Q22 PolarHBondContact O-N 2.98Å; C19-Q22 PolarHBondContact O-N 3.5Å; Q22-K25 PolarHBondContact O-N 3.28Å; Q22-R26 WeakPolarHBondContact O-CB 3.41Å; Q22-R26 PolarHBondContact O-N 2.97Å
23W94.5Very high91.3Very high79 Ų7987.6 Ų87.630%0.29941%0.414SS..Hα-helixtrans-64.1-46.3176.7-174.715.4000111.7C19 L20 K25 R26 H27 S30 Y31 A34 W258C19-W23 VanDerWaalsContact O-CB 3.31Å; C19-W23 WeakPolarHBondContact O-CB 3.34Å; C19-W23 PolarHBondContact O-N 2.9Å; L20-W23 HydrophobicContact CD2-CE3 4.18Å; L20-W23 PolarHBondContact O-N 3.49Å; W23-K25 VanDerWaalsContact C-N 3.28Å; W23-K25 PolarHBondContact O-N 3.38Å; W23-R26 PolarHBondContact O-N 3.27Å; W23-H27 CarbonylContact O-C 3.55Å; W23-H27 PolarHBondContact O-N 3.46Å; W23-S30 PolarHBondContact NE1-OG 3.48Å; W23-Y31 HydrophobicContact CD2-CD2 4.18Å; W23-Y31 HydrophobicContact CE3-CD2 4.08Å; W23-Y31 HydrophobicContact CG-CD2 4.44Å; W23-A34 HydrophobicContact CH2-CB 3.34Å; W23-A34 HydrophobicContact CZ2-CB 3.88Å; W23-A34 HydrophobicContact CZ3-CB 4.25Å; W23-W258 HydrophobicContact CE3-CH2 4.48Å; W23-W258 HydrophobicContact CE3-CZ2 4.39Å; W23-W258 HydrophobicContact CH2-CH2 4.49Å; W23-W258 AromaticContact CZ3-CH2 3.64Å; W23-W258 HydrophobicContact CZ3-CH2 3.64Å; W23-W258 AromaticContact CZ3-CZ2 3.71Å; W23-W258 HydrophobicContact CZ3-CZ2 3.71Å
24K91.5Very high91.4Very high67 Ų6787 Ų8729%0.29141%0.413SS..Hα-helixtrans-55.8-42.5175-176.1-178.7-176-179.60111.8L20 V21 F28 Y31 D250L20-K24 WeakPolarHBondContact O-CB 3.49Å; L20-K24 PolarHBondContact O-N 3.27Å; V21-K24 PolarHBondContact O-N 3.11Å; K24-F28 HydrophobicContact CG-CD2 4.02Å; K24-F28 HydrophobicContact CG-CE2 4.37Å; K24-F28 WeakPolarHBondContact O-CA 3.4Å; K24-Y31 HydrophobicContact CB-CD1 3.92Å; K24-Y31 HydrophobicContact CB-CD2 4.19Å; K24-Y31 HydrophobicContact CB-CE1 4.05Å; K24-Y31 HydrophobicContact CB-CE2 4.3Å; K24-Y31 HydrophobicContact CB-CG 4Å; K24-Y31 HydrophobicContact CD-CE1 3.97Å; K24-Y31 HydrophobicContact CG-CD1 3.83Å; K24-Y31 HydrophobicContact CG-CE1 3.81Å; K24-Y31 HydrophobicContact CG-CG 4.41Å; K24-D250 IonicContact NZ-OD2 3.85Å; K24-D250 PolarHBondContact NZ-OD2 3.43Å
25K91Very high91.4Very high158 Ų15879.7 Ų79.769%0.68738%0.381SS*.Hα-helixtrans-69.7-44.7179.4-74.5-179.9179.2-176.80112.9V21 Q22 W23V21-K25 HydrophobicContact CG1-CD 4.41Å; V21-K25 WeakPolarHBondContact O-CG 3.22Å; V21-K25 PolarHBondContact O-N 3.15Å; V21-K25 VanDerWaalsContact O-N 3.08Å; Q22-K25 PolarHBondContact O-N 3.28Å; W23-K25 VanDerWaalsContact C-N 3.28Å; W23-K25 PolarHBondContact O-N 3.38Å
26R92.9Very high91.3Very high206 Ų20675.2 Ų75.278%0.77736%0.357SS*.Hα-helixtrans-84.6-38.3-171.8-163.7174-177.9146.70.2113.2Q22 W23Q22-R26 WeakPolarHBondContact O-CB 3.41Å; Q22-R26 PolarHBondContact O-N 2.97Å; W23-R26 PolarHBondContact O-N 3.27Å
27H92.5Very high91.4Very high107 Ų10779.5 Ų79.550%0.49537%0.371SS..  trans-13867.8-176.9-56.8-71.8000111.3W23 R29 S30 Y31W23-H27 CarbonylContact O-C 3.55Å; W23-H27 PolarHBondContact O-N 3.46Å; H27-R29 VanDerWaalsContact C-N 3.31Å; H27-R29 PolarHBondContact O-N 2.96Å; H27-S30 VanDerWaalsContact CB-OG 3.26Å; H27-S30 WeakPolarHBondContact CB-OG 3.38Å; H27-S30 PolarHBondContact O-N 3.31Å; H27-S30 PolarHBondContact O-OG 3.5Å; H27-Y31 WeakPolarHBondContact O-CB 3.18Å; H27-Y31 PolarHBondContact O-N 2.91Å
28F87.5Confident91.5Very high85 Ų8579.9 Ų79.937%0.37337%0.369SS..Hα-helixtrans-53.3-43.5-177-176.2-101.5000113.7K24 Y31 Q32K24-F28 HydrophobicContact CG-CD2 4.02Å; K24-F28 HydrophobicContact CG-CE2 4.37Å; K24-F28 WeakPolarHBondContact O-CA 3.4Å; F28-Y31 PolarHBondContact O-N 3.38Å; F28-Q32 WeakPolarHBondContact O-CB 3.31Å; F28-Q32 PolarHBondContact O-N 3.5Å
29R85.8Confident91.5Very high203 Ų20374.2 Ų74.277%0.76634%0.344SS*.Hα-helixtrans-61.3-49-179.4-74.9-173.1177.4-179.5-2.1112.6H27 Y31 Q32 T33H27-R29 VanDerWaalsContact C-N 3.31Å; H27-R29 PolarHBondContact O-N 2.96Å; R29-Y31 VanDerWaalsContact C-N 3.35Å; R29-Q32 PolarHBondContact O-N 3.3Å; R29-T33 PolarHBondContact O-N 2.87Å; R29-T33 PolarHBondContact O-OG1 3.23Å; R29-T33 VanDerWaalsContact O-OG1 3.12Å
30S92.1Very high91.5Very high54 Ų5473.7 Ų73.738%0.37833%0.331SS..Hα-helixtrans-68.9-37.3-179.659.60000111.5W23 H27 Q32 A34W23-S30 PolarHBondContact NE1-OG 3.48Å; H27-S30 VanDerWaalsContact CB-OG 3.26Å; H27-S30 WeakPolarHBondContact CB-OG 3.38Å; H27-S30 PolarHBondContact O-N 3.31Å; H27-S30 PolarHBondContact O-OG 3.5Å; S30-Q32 PolarHBondContact O-N 2.9Å; S30-A34 VanDerWaalsContact O-CB 3.25Å; S30-A34 WeakPolarHBondContact O-CB 3.25Å; S30-A34 PolarHBondContact O-N 2.93Å
31Y90.9Very high91.5Very high15 Ų1575.4 Ų75.46%0.05934%0.34CS..Hα-helixtrans-58.1-46.3171.8168.1-96.2000112L20 W23 K24 H27 F28 R29 T35L20-Y31 HydrophobicContact CD2-CE2 4.3Å; W23-Y31 HydrophobicContact CD2-CD2 4.18Å; W23-Y31 HydrophobicContact CE3-CD2 4.08Å; W23-Y31 HydrophobicContact CG-CD2 4.44Å; K24-Y31 HydrophobicContact CB-CD1 3.92Å; K24-Y31 HydrophobicContact CB-CD2 4.19Å; K24-Y31 HydrophobicContact CB-CE1 4.05Å; K24-Y31 HydrophobicContact CB-CE2 4.3Å; K24-Y31 HydrophobicContact CB-CG 4Å; K24-Y31 HydrophobicContact CD-CE1 3.97Å; K24-Y31 HydrophobicContact CG-CD1 3.83Å; K24-Y31 HydrophobicContact CG-CE1 3.81Å; K24-Y31 HydrophobicContact CG-CG 4.41Å; H27-Y31 WeakPolarHBondContact O-CB 3.18Å; H27-Y31 PolarHBondContact O-N 2.91Å; F28-Y31 PolarHBondContact O-N 3.38Å; R29-Y31 VanDerWaalsContact C-N 3.35Å; Y31-T35 WeakPolarHBondContact O-CB 3.39Å; Y31-T35 PolarHBondContact O-N 3.01Å; Y31-T35 PolarHBondContact O-OG1 2.89Å
32Q88.6Confident91.7Very high15 Ų1573.1 Ų73.17%0.0733%0.325CS..Hα-helixtrans-65.2-47.5-179.4-172.3177.117.800111.5F28 R29 S30 T35 L36F28-Q32 WeakPolarHBondContact O-CB 3.31Å; F28-Q32 PolarHBondContact O-N 3.5Å; R29-Q32 PolarHBondContact O-N 3.3Å; S30-Q32 PolarHBondContact O-N 2.9Å; Q32-T35 PolarHBondContact O-N 2.88Å; Q32-L36 VanDerWaalsContact O-CB 3.29Å; Q32-L36 WeakPolarHBondContact O-CB 3.46Å; Q32-L36 PolarHBondContact O-N 3.31Å
33T89.7Confident91.5Very high87 Ų8769.6 Ų69.653%0.53431%0.31SS..Hα-helixtrans-62.4-45.9178.1-54.30000111.9R29 T35 L36 F37R29-T33 PolarHBondContact O-N 2.87Å; R29-T33 PolarHBondContact O-OG1 3.23Å; R29-T33 VanDerWaalsContact O-OG1 3.12Å; T33-T35 VanDerWaalsContact C-N 3.35Å; T33-T35 PolarHBondContact O-N 3.41Å; T33-L36 PolarHBondContact O-N 3.19Å; T33-F37 WeakPolarHBondContact O-CB 3.43Å; T33-F37 PolarHBondContact O-N 3.05Å
34A92.2Very high91.5Very high24 Ų2466.8 Ų66.820%0.19830%0.301CS..Hα-helixtrans-64.2-41.8179.100000111.6W23 S30 F37 W38W23-A34 HydrophobicContact CH2-CB 3.34Å; W23-A34 HydrophobicContact CZ2-CB 3.88Å; W23-A34 HydrophobicContact CZ3-CB 4.25Å; S30-A34 VanDerWaalsContact O-CB 3.25Å; S30-A34 WeakPolarHBondContact O-CB 3.25Å; S30-A34 PolarHBondContact O-N 2.93Å; A34-F37 WeakPolarHBondContact O-CB 3.49Å; A34-F37 PolarHBondContact O-N 3.39Å; A34-W38 PolarHBondContact O-N 3.43Å; A34-W38 VanDerWaalsContact O-N 3.08Å
35T92.3Very high91.6Very high0 Ų067.1 Ų67.10%031%0.305CS..Hα-helixtrans-72.3-36.5-179.5-46.70000112Y31 Q32 T33 F37 W38 M39 R253 A257 W258Y31-T35 WeakPolarHBondContact O-CB 3.39Å; Y31-T35 PolarHBondContact O-N 3.01Å; Y31-T35 PolarHBondContact O-OG1 2.89Å; Q32-T35 PolarHBondContact O-N 2.88Å; T33-T35 VanDerWaalsContact C-N 3.35Å; T33-T35 PolarHBondContact O-N 3.41Å; T35-F37 VanDerWaalsContact C-N 3.31Å; T35-F37 PolarHBondContact O-N 3.04Å; T35-W38 PolarHBondContact O-N 3.07Å; T35-M39 HydrophobicContact CG2-CG 4.27Å; T35-M39 WeakPolarHBondContact O-CB 3.43Å; T35-M39 VanDerWaalsContact O-CG 3.3Å; T35-M39 WeakPolarHBondContact O-CG 3.39Å; T35-M39 PolarHBondContact O-N 3.32Å; T35-R253 HydrophobicContact CG2-CG 3.21Å; T35-A257 HydrophobicContact CG2-CB 3.89Å; T35-W258 VanDerWaalsContact CG2-NE1 3.28Å; T35-W258 PolarHBondContact OG1-NE1 3.09Å; T35-W258 VanDerWaalsContact OG1-NE1 3.15Å
36L92.7Very high91.6Very high13 Ų1364.3 Ų64.37%0.06829%0.293CS..Hα-helixtrans-59.1-44.4172.1177.359.5000111.1Q32 T33 W38 M39 W40 L143 D146 F147 I150Q32-L36 VanDerWaalsContact O-CB 3.29Å; Q32-L36 WeakPolarHBondContact O-CB 3.46Å; Q32-L36 PolarHBondContact O-N 3.31Å; T33-L36 PolarHBondContact O-N 3.19Å; L36-W38 PolarHBondContact O-N 3.36Å; L36-M39 PolarHBondContact O-N 3.47Å; L36-W40 VanDerWaalsContact O-CB 3.24Å; L36-W40 WeakPolarHBondContact O-CB 3.4Å; L36-W40 PolarHBondContact O-N 3.39Å; L36-L143 HydrophobicContact CD1-CD2 3.53Å; L36-D146 HydrophobicContact CD1-CB 3.99Å; L36-D146 HydrophobicContact CD2-CB 4.44Å; L36-F147 HydrophobicContact CD1-CD2 4.18Å; L36-F147 HydrophobicContact CD1-CE2 3.85Å; L36-F147 HydrophobicContact CD1-CZ 4.14Å; L36-F147 HydrophobicContact CD2-CD1 4.1Å; L36-F147 HydrophobicContact CD2-CE1 3.9Å; L36-F147 HydrophobicContact CD2-CE2 4.44Å; L36-F147 HydrophobicContact CD2-CG 4.46Å; L36-F147 HydrophobicContact CD2-CZ 4.08Å; L36-F147 HydrophobicContact CG-CZ 4.37Å; L36-I150 HydrophobicContact CD2-CD1 3.45Å; L36-I150 VanDerWaalsContact CD2-CD1 3.45Å
37F93.2Very high91.6Very high108 Ų10854.7 Ų54.747%0.47426%0.257SS..Hα-helixtrans-57.8-50.4176.5176.7-97.4000111.7T33 A34 T35 W40 L41T33-F37 WeakPolarHBondContact O-CB 3.43Å; T33-F37 PolarHBondContact O-N 3.05Å; A34-F37 WeakPolarHBondContact O-CB 3.49Å; A34-F37 PolarHBondContact O-N 3.39Å; T35-F37 VanDerWaalsContact C-N 3.31Å; T35-F37 PolarHBondContact O-N 3.04Å; F37-W40 PolarHBondContact O-N 3.39Å; F37-L41 HydrophobicContact CE1-CD2 3.89Å; F37-L41 HydrophobicContact CZ-CD2 3.85Å; F37-L41 VanDerWaalsContact O-CB 3.32Å; F37-L41 WeakPolarHBondContact O-CB 3.35Å; F37-L41 PolarHBondContact O-N 3.19Å
38W92.5Very high91.7Very high91 Ų9154.2 Ų54.235%0.34526%0.262SS..Hα-helixtrans-66.1-40.7179-74.2120.7000113A34 T35 L36 W40 L41 I42 A257 V261A34-W38 PolarHBondContact O-N 3.43Å; A34-W38 VanDerWaalsContact O-N 3.08Å; T35-W38 PolarHBondContact O-N 3.07Å; L36-W38 PolarHBondContact O-N 3.36Å; W38-W40 VanDerWaalsContact C-N 3.28Å; W38-W40 PolarHBondContact O-N 3Å; W38-L41 HydrophobicContact CZ3-CD2 4.24Å; W38-L41 PolarHBondContact O-N 3.08Å; W38-I42 HydrophobicContact CB-CD1 4.05Å; W38-I42 HydrophobicContact CD2-CD1 4.46Å; W38-I42 HydrophobicContact CE3-CD1 3.89Å; W38-I42 HydrophobicContact CE3-CG1 3.96Å; W38-I42 WeakPolarHBondContact O-CB 3.46Å; W38-I42 WeakPolarHBondContact O-CG1 3.47Å; W38-I42 PolarHBondContact O-N 3.32Å; W38-A257 HydrophobicContact CB-CB 3.91Å; W38-V261 HydrophobicContact CD2-CG2 4.24Å; W38-V261 HydrophobicContact CE3-CG2 4.36Å
39M92.5Very high91.9Very high0 Ų058.4 Ų58.40%028%0.28CS..Hα-helixtrans-61.5-37.2174.2-78.2-163.971.600112.4T35 L36 P43 Y139 V142 L143 R253 A257T35-M39 HydrophobicContact CG2-CG 4.27Å; T35-M39 WeakPolarHBondContact O-CB 3.43Å; T35-M39 VanDerWaalsContact O-CG 3.3Å; T35-M39 WeakPolarHBondContact O-CG 3.39Å; T35-M39 PolarHBondContact O-N 3.32Å; L36-M39 PolarHBondContact O-N 3.47Å; M39-P43 WeakPolarHBondContact O-CD 3.27Å; M39-P43 WeakPolarHBondContact O-CG 3.31Å; M39-Y139 HydrophobicContact CE-CD2 4.42Å; M39-Y139 WeakPolarHBondContact O-CE2 3.45Å; M39-Y139 PolarHBondContact O-OH 2.9Å; M39-V142 HydrophobicContact CE-CB 3.54Å; M39-V142 HydrophobicContact CE-CG1 3.45Å; M39-V142 VanDerWaalsContact CE-CG1 3.45Å; M39-V142 HydrophobicContact CE-CG2 4.03Å; M39-V142 HydrophobicContact SD-CB 4.22Å; M39-V142 HydrophobicContact SD-CG1 3.42Å; M39-V142 WeakPolarHBondContact SD-CG1 3.34Å; M39-L143 HydrophobicContact CB-CD2 4.03Å; M39-R253 HydrophobicContact CG-CG 4.28Å; M39-R253 HydrophobicContact SD-CB 3.75Å; M39-R253 HydrophobicContact SD-CG 3.55Å; M39-R253 VanDerWaalsContact SD-CG 3.55Å; M39-A257 HydrophobicContact CG-CB 3.63Å
40W92.8Very high92.3Very high69 Ų6956.4 Ų56.426%0.26127%0.272SS..Hα-helixtrans-73.7-39.5180-17055.7000111.6L36 F37 W38 W59 S63 L67 L143L36-W40 VanDerWaalsContact O-CB 3.24Å; L36-W40 WeakPolarHBondContact O-CB 3.4Å; L36-W40 PolarHBondContact O-N 3.39Å; F37-W40 PolarHBondContact O-N 3.39Å; W38-W40 VanDerWaalsContact C-N 3.28Å; W38-W40 PolarHBondContact O-N 3Å; W40-W59 AromaticContact CD1-CE2 3.71Å; W40-W59 AromaticContact CD1-CZ2 3.45Å; W40-W59 VanDerWaalsContact CD1-CZ2 3.45Å; W40-W59 AromaticContact CD1-NE1 3.67Å; W40-W59 HydrophobicContact CD2-CH2 4.29Å; W40-W59 AromaticContact CD2-CZ2 3.74Å; W40-W59 HydrophobicContact CD2-CZ2 3.74Å; W40-W59 AromaticContact CE2-CH2 3.57Å; W40-W59 AromaticContact CE2-CZ2 3.28Å; W40-W59 AromaticContact CG-CZ2 3.84Å; W40-W59 HydrophobicContact CG-CZ2 3.84Å; W40-W59 HydrophobicContact CH2-CH2 4.27Å; W40-W59 AromaticContact CZ2-CH2 3.56Å; W40-W59 HydrophobicContact CZ2-CH2 3.56Å; W40-W59 AromaticContact CZ2-CZ2 3.81Å; W40-W59 HydrophobicContact CZ2-CZ2 3.81Å; W40-W59 AromaticContact NE1-CE2 3.52Å; W40-W59 AromaticContact NE1-CH2 3.71Å; W40-W59 AromaticContact NE1-CZ2 3.07Å; W40-W59 AromaticContact NE1-NE1 3.93Å; W40-W59 WeakPolarHBondContact O-CZ2 3.39Å; W40-W59 PolarHBondContact O-NE1 3.34Å; W40-S63 PolarHBondContact NE1-OG 3.25Å; W40-L67 HydrophobicContact CH2-CD1 4.38Å; W40-L67 HydrophobicContact CZ2-CD1 4.18Å; W40-L143 HydrophobicContact CB-CD2 4.4Å
41L92.5Very high92.2Very high53 Ų5355.7 Ų55.728%0.27727%0.274SS..Hα-helixtrans-83.9-43.7-172.6-172.269.4000114.3F37 W38 I44 I45F37-L41 HydrophobicContact CE1-CD2 3.89Å; F37-L41 HydrophobicContact CZ-CD2 3.85Å; F37-L41 VanDerWaalsContact O-CB 3.32Å; F37-L41 WeakPolarHBondContact O-CB 3.35Å; F37-L41 PolarHBondContact O-N 3.19Å; W38-L41 HydrophobicContact CZ3-CD2 4.24Å; W38-L41 PolarHBondContact O-N 3.08Å; L41-I44 WeakPolarHBondContact O-CG2 3.4Å; L41-I44 PolarHBondContact O-N 3.01Å; L41-I45 HydrophobicContact CD1-CD1 3.96Å; L41-I45 HydrophobicContact CD1-CG1 4.26Å; L41-I45 HydrophobicContact CD2-CD1 3.98Å; L41-I45 HydrophobicContact CG-CD1 3.57Å; L41-I45 HydrophobicContact CG-CG1 4.21Å; L41-I45 WeakPolarHBondContact O-CG1 3.44Å; L41-I45 PolarHBondContact O-N 3.35Å; L41-I45 VanDerWaalsContact O-N 3.11Å
42I93Very high92.3Very high16 Ų1661.5 Ų61.58%0.08230%0.296CS..Hα-helixtrans-60.9-51.9-171.3-72.2166000112W38 I44 I45 F46 A257 P260 V261W38-I42 HydrophobicContact CB-CD1 4.05Å; W38-I42 HydrophobicContact CD2-CD1 4.46Å; W38-I42 HydrophobicContact CE3-CD1 3.89Å; W38-I42 HydrophobicContact CE3-CG1 3.96Å; W38-I42 WeakPolarHBondContact O-CB 3.46Å; W38-I42 WeakPolarHBondContact O-CG1 3.47Å; W38-I42 PolarHBondContact O-N 3.32Å; I42-I44 VanDerWaalsContact C-N 3.32Å; I42-I44 PolarHBondContact O-N 3.25Å; I42-I45 PolarHBondContact O-N 2.85Å; I42-F46 HydrophobicContact CG2-CD2 3.7Å; I42-F46 HydrophobicContact CG2-CE2 3.74Å; I42-F46 WeakPolarHBondContact O-CD2 3.44Å; I42-F46 PolarHBondContact O-N 2.88Å; I42-F46 VanDerWaalsContact O-N 3.09Å; I42-A257 VanDerWaalsContact CD1-O 3.24Å; I42-A257 WeakPolarHBondContact CD1-O 3.3Å; I42-P260 HydrophobicContact CD1-CB 4.4Å; I42-P260 HydrophobicContact CG2-CB 4.25Å; I42-P260 HydrophobicContact CG2-CG 4.18Å; I42-V261 HydrophobicContact CD1-CG2 3.98Å
43P91.8Very high92.5Very high12 Ų1270.7 Ų70.78%0.07833%0.33CS..Hα-helixtrans-63.9-35.1-176.1-26.940.1000113.3M39 S47 F55 Y139 V256M39-P43 WeakPolarHBondContact O-CD 3.27Å; M39-P43 WeakPolarHBondContact O-CG 3.31Å; P43-S47 VanDerWaalsContact O-CB 3.24Å; P43-S47 WeakPolarHBondContact O-CB 3.38Å; P43-S47 PolarHBondContact O-N 2.88Å; P43-S47 PolarHBondContact O-OG 3.5Å; P43-F55 HydrophobicContact CB-CE1 3.82Å; P43-F55 HydrophobicContact CB-CZ 3.65Å; P43-Y139 HydrophobicContact CB-CE2 4.24Å; P43-Y139 HydrophobicContact CG-CD2 4.35Å; P43-Y139 HydrophobicContact CG-CE2 3.62Å; P43-V256 HydrophobicContact CG-CG1 3.76Å
44I93.4Very high92.7Very high20 Ų2076.7 Ų76.710%0.10334%0.343CS..Hα-helixtrans-71.6-39.1178.1-170.462.7000111.4L41 I42 F46 S47 V48 W59L41-I44 WeakPolarHBondContact O-CG2 3.4Å; L41-I44 PolarHBondContact O-N 3.01Å; I42-I44 VanDerWaalsContact C-N 3.32Å; I42-I44 PolarHBondContact O-N 3.25Å; I44-F46 PolarHBondContact O-N 3.28Å; I44-S47 PolarHBondContact O-N 2.92Å; I44-V48 HydrophobicContact CD1-CG2 4.09Å; I44-V48 HydrophobicContact CG1-CG2 4.24Å; I44-V48 WeakPolarHBondContact O-CB 3.29Å; I44-V48 VanDerWaalsContact O-CG2 3.31Å; I44-V48 WeakPolarHBondContact O-CG2 3.33Å; I44-V48 PolarHBondContact O-N 3.32Å; I44-W59 HydrophobicContact CB-CD2 4.05Å; I44-W59 HydrophobicContact CB-CE3 4.38Å; I44-W59 HydrophobicContact CB-CG 4.49Å; I44-W59 HydrophobicContact CB-CH2 4.42Å; I44-W59 HydrophobicContact CB-CZ2 4.02Å; I44-W59 HydrophobicContact CD1-CB 4.43Å; I44-W59 HydrophobicContact CD1-CD2 3.98Å; I44-W59 HydrophobicContact CD1-CE3 3.84Å; I44-W59 HydrophobicContact CD1-CG 4.24Å; I44-W59 HydrophobicContact CD1-CZ3 4.44Å; I44-W59 HydrophobicContact CG1-CD2 4.02Å; I44-W59 HydrophobicContact CG1-CE3 3.88Å; I44-W59 HydrophobicContact CG1-CH2 4.28Å; I44-W59 HydrophobicContact CG1-CZ2 4.35Å; I44-W59 HydrophobicContact CG1-CZ3 4.04Å; I44-W59 HydrophobicContact CG2-CH2 4.09Å; I44-W59 HydrophobicContact CG2-CZ2 3.7Å
45I93.1Very high92.8Very high73 Ų7375.9 Ų75.937%0.37433%0.334SS..Hα-helixtrans-58.5-49173.9-70.5175.2000110.4L41 I42 S47 K49L41-I45 HydrophobicContact CD1-CD1 3.96Å; L41-I45 HydrophobicContact CD1-CG1 4.26Å; L41-I45 HydrophobicContact CD2-CD1 3.98Å; L41-I45 HydrophobicContact CG-CD1 3.57Å; L41-I45 HydrophobicContact CG-CG1 4.21Å; L41-I45 WeakPolarHBondContact O-CG1 3.44Å; L41-I45 PolarHBondContact O-N 3.35Å; L41-I45 VanDerWaalsContact O-N 3.11Å; I42-I45 PolarHBondContact O-N 2.85Å; I45-S47 VanDerWaalsContact C-N 3.34Å; I45-S47 PolarHBondContact O-N 3.01Å; I45-K49 HydrophobicContact CG2-CD 4.3Å; I45-K49 WeakPolarHBondContact O-CB 3.44Å; I45-K49 WeakPolarHBondContact O-CG 3.27Å; I45-K49 PolarHBondContact O-N 3.12Å
46F91.4Very high92.9Very high99 Ų9976.7 Ų76.743%0.43434%0.34SS..Hα-helixtrans-63.1-41.4178.1-84.7-75.3000112.2I42 I44 K49 R50I42-F46 HydrophobicContact CG2-CD2 3.7Å; I42-F46 HydrophobicContact CG2-CE2 3.74Å; I42-F46 WeakPolarHBondContact O-CD2 3.44Å; I42-F46 PolarHBondContact O-N 2.88Å; I42-F46 VanDerWaalsContact O-N 3.09Å; I44-F46 PolarHBondContact O-N 3.28Å; F46-K49 PolarHBondContact O-N 3.18Å; F46-R50 WeakPolarHBondContact O-CB 3.42Å; F46-R50 WeakPolarHBondContact O-CG 3.35Å; F46-R50 PolarHBondContact O-N 3.43Å
47S93.1Very high93Very high5 Ų579.5 Ų79.54%0.03536%0.361CS..Hα-helixtrans-68.5-40.1-177.6-62.20000112.5P43 I44 I45 R50 G51 W52 F55P43-S47 VanDerWaalsContact O-CB 3.24Å; P43-S47 WeakPolarHBondContact O-CB 3.38Å; P43-S47 PolarHBondContact O-N 2.88Å; P43-S47 PolarHBondContact O-OG 3.5Å; I44-S47 PolarHBondContact O-N 2.92Å; I45-S47 VanDerWaalsContact C-N 3.34Å; I45-S47 PolarHBondContact O-N 3.01Å; S47-R50 PolarHBondContact O-N 2.84Å; S47-G51 PolarHBondContact O-N 2.95Å; S47-W52 PolarHBondContact O-N 3.45Å; S47-F55 WeakPolarHBondContact OG-CD1 3.25Å; S47-F55 WeakPolarHBondContact OG-CE1 3.47Å
48V93.7Very high93.2Very high97 Ų9778 Ų7859%0.58836%0.357SS*.Hα-helixtrans-65.7-45.8174.5172.80000110.4I44 R50 G51I44-V48 HydrophobicContact CD1-CG2 4.09Å; I44-V48 HydrophobicContact CG1-CG2 4.24Å; I44-V48 WeakPolarHBondContact O-CB 3.29Å; I44-V48 VanDerWaalsContact O-CG2 3.31Å; I44-V48 WeakPolarHBondContact O-CG2 3.33Å; I44-V48 PolarHBondContact O-N 3.32Å; V48-R50 VanDerWaalsContact C-N 3.26Å; V48-R50 PolarHBondContact O-N 3.42Å; V48-G51 PolarHBondContact O-N 2.86Å; V48-G51 VanDerWaalsContact O-N 3.16Å
49K93.5Very high93.3Very high172 Ų17274.9 Ų74.975%0.74835%0.345SS*.Hα-helixtrans-59.9-33.8177.3-77.4-174.3174.7-173.10113.4I45 F46I45-K49 HydrophobicContact CG2-CD 4.3Å; I45-K49 WeakPolarHBondContact O-CB 3.44Å; I45-K49 WeakPolarHBondContact O-CG 3.27Å; I45-K49 PolarHBondContact O-N 3.12Å; F46-K49 PolarHBondContact O-N 3.18Å
50R92.8Very high93.5Very high161 Ų16178.2 Ų78.261%0.60837%0.366SS*.THydrogen-bonded Turntrans-92.80.2179.7-68.6-172.9174.4-165.3-1.4114.2F46 S47 V48 W52F46-R50 WeakPolarHBondContact O-CB 3.42Å; F46-R50 WeakPolarHBondContact O-CG 3.35Å; F46-R50 PolarHBondContact O-N 3.43Å; S47-R50 PolarHBondContact O-N 2.84Å; V48-R50 VanDerWaalsContact C-N 3.26Å; V48-R50 PolarHBondContact O-N 3.42Å; R50-W52 VanDerWaalsContact C-N 3.33Å; R50-W52 HydrophobicContact CB-CD2 4.08Å; R50-W52 HydrophobicContact CB-CG 4.18Å; R50-W52 HydrophobicContact CB-CZ2 4.48Å; R50-W52 PolarHBondContact O-N 2.94Å
51G90.7Very high93.7Very high40 Ų4081 Ų8141%0.41238%0.383SS..THydrogen-bonded Turntrans67.928.3-178.500000114.1S47 V48 W53S47-G51 PolarHBondContact O-N 2.95Å; V48-G51 PolarHBondContact O-N 2.86Å; V48-G51 VanDerWaalsContact O-N 3.16Å; G51-W53 VanDerWaalsContact C-N 3.28Å; G51-W53 PolarHBondContact O-N 3.3Å
52W92.5Very high93.9Very high137 Ų13779.5 Ų79.552%0.51937%0.374SS..  trans-82.169.9179.3-67.3-10.5000112S47 R50 R54 F55 S56S47-W52 PolarHBondContact O-N 3.45Å; R50-W52 VanDerWaalsContact C-N 3.33Å; R50-W52 HydrophobicContact CB-CD2 4.08Å; R50-W52 HydrophobicContact CB-CG 4.18Å; R50-W52 HydrophobicContact CB-CZ2 4.48Å; R50-W52 PolarHBondContact O-N 2.94Å; W52-R54 VanDerWaalsContact C-N 3.28Å; W52-R54 PolarHBondContact O-N 3.44Å; W52-F55 PolarHBondContact O-N 3.23Å; W52-S56 PolarHBondContact O-N 2.88Å; W52-S56 PolarHBondContact O-OG 3.04Å
53W93Very high94Very high207 Ų20779 Ų7978%0.78437%0.372SS*.Hα-helixtrans-53.4-39.6-175.2-64.193.6000114.1G51 F55 S56 S57G51-W53 VanDerWaalsContact C-N 3.28Å; G51-W53 PolarHBondContact O-N 3.3Å; W53-F55 PolarHBondContact O-N 3.45Å; W53-S56 PolarHBondContact O-N 3.16Å; W53-S57 PolarHBondContact O-N 3.17Å; W53-S57 PolarHBondContact O-OG 3.34Å; W53-S57 VanDerWaalsContact O-OG 3.07Å
54R93.8Very high94.3Very high214 Ų21482.9 Ų82.981%0.80840%0.396SS*.Hα-helixtrans-57.1-49.1-179.6-64.2-179.8-176.9165.20.7112.2W52 I58W52-R54 VanDerWaalsContact C-N 3.28Å; W52-R54 PolarHBondContact O-N 3.44Å; R54-I58 WeakPolarHBondContact O-CG1 3.39Å; R54-I58 PolarHBondContact O-N 3.17Å
55F94.3Very high94.4Very high6 Ų683.7 Ų83.73%0.02640%0.403CS..Hα-helixtrans-66.1-45.6178.3177-97.4000110.9P43 S47 W52 W53 S57 I58 W59 F135 Y136 Y139 F140P43-F55 HydrophobicContact CB-CE1 3.82Å; P43-F55 HydrophobicContact CB-CZ 3.65Å; S47-F55 WeakPolarHBondContact OG-CD1 3.25Å; S47-F55 WeakPolarHBondContact OG-CE1 3.47Å; W52-F55 PolarHBondContact O-N 3.23Å; W53-F55 PolarHBondContact O-N 3.45Å; F55-S57 VanDerWaalsContact C-N 3.32Å; F55-S57 PolarHBondContact O-N 3.42Å; F55-I58 PolarHBondContact O-N 2.94Å; F55-W59 HydrophobicContact CD1-CB 4.39Å; F55-W59 HydrophobicContact CE1-CB 4.16Å; F55-W59 AromaticContact CE1-CD1 3.96Å; F55-W59 HydrophobicContact CE1-CG 4.27Å; F55-W59 HydrophobicContact CZ-CB 4.43Å; F55-W59 AromaticContact CZ-CD1 3.92Å; F55-W59 WeakPolarHBondContact O-CB 3.46Å; F55-W59 PolarHBondContact O-N 3.34Å; F55-F135 HydrophobicContact CD2-CE1 4.07Å; F55-F135 AromaticContact CE2-CE1 3.68Å; F55-F135 HydrophobicContact CE2-CE1 3.68Å; F55-F135 HydrophobicContact CE2-CZ 4.22Å; F55-F135 HydrophobicContact CZ-CE1 4.42Å; F55-Y136 HydrophobicContact CD2-CD1 4.21Å; F55-Y136 AromaticContact CD2-CE1 3.53Å; F55-Y136 HydrophobicContact CD2-CE1 3.53Å; F55-Y136 HydrophobicContact CE2-CE1 4.27Å; F55-Y136 HydrophobicContact CG-CE1 4.49Å; F55-Y139 AromaticContact CE2-CD1 3.87Å; F55-Y139 HydrophobicContact CE2-CD1 3.87Å; F55-Y139 AromaticContact CE2-CE1 3.79Å; F55-Y139 HydrophobicContact CE2-CE1 3.79Å; F55-Y139 HydrophobicContact CZ-CD1 4.05Å; F55-Y139 AromaticContact CZ-CE1 3.54Å; F55-Y139 HydrophobicContact CZ-CE1 3.54Å; F55-Y139 AromaticContact CZ-CZ 4Å; F55-F140 HydrophobicContact CE2-CE2 4.48Å; F55-F140 HydrophobicContact CE2-CZ 4.35Å
56S94.7Very high94.5Very high18 Ų1880.2 Ų80.213%0.12639%0.385CS..Hα-helixtrans-57.7-43.9-179.8-58.90000111.9W52 W53 W59 V60W52-S56 PolarHBondContact O-N 2.88Å; W52-S56 PolarHBondContact O-OG 3.04Å; W53-S56 PolarHBondContact O-N 3.16Å; S56-W59 PolarHBondContact O-N 2.79Å; S56-V60 WeakPolarHBondContact O-CB 3.29Å; S56-V60 VanDerWaalsContact O-CG2 3.27Å; S56-V60 WeakPolarHBondContact O-CG2 3.27Å; S56-V60 PolarHBondContact O-N 3.49Å
57S95.3Very high94.7Very high71 Ų7179.4 Ų79.450%0.49739%0.385SS..Hα-helixtrans-63.2-47.7177.4-60.30000112.6W53 F55 W59 V60 M61W53-S57 PolarHBondContact O-N 3.17Å; W53-S57 PolarHBondContact O-OG 3.34Å; W53-S57 VanDerWaalsContact O-OG 3.07Å; F55-S57 VanDerWaalsContact C-N 3.32Å; F55-S57 PolarHBondContact O-N 3.42Å; S57-W59 VanDerWaalsContact C-N 3.34Å; S57-W59 PolarHBondContact O-N 3.28Å; S57-V60 PolarHBondContact O-N 3.02Å; S57-M61 WeakPolarHBondContact O-CG 3.31Å; S57-M61 PolarHBondContact O-N 2.89Å
58I95.9Very high94.9Very high76 Ų7684.8 Ų84.839%0.3941%0.408SS..Hα-helixtrans-63.9-43178.7-64.1169.3000110.4R54 F55 V60 M61 F62 Y136 F140R54-I58 WeakPolarHBondContact O-CG1 3.39Å; R54-I58 PolarHBondContact O-N 3.17Å; F55-I58 PolarHBondContact O-N 2.94Å; I58-V60 PolarHBondContact O-N 3.19Å; I58-M61 PolarHBondContact O-N 2.95Å; I58-F62 WeakPolarHBondContact O-CB 3.42Å; I58-F62 PolarHBondContact O-N 3.1Å; I58-Y136 HydrophobicContact CD1-CD2 4.44Å; I58-Y136 HydrophobicContact CD1-CE2 3.74Å; I58-F140 HydrophobicContact CG2-CE2 3.79Å; I58-F140 HydrophobicContact CG2-CZ 3.75Å
59W96.4Very high94.9Very high26 Ų2680.4 Ų80.410%0.09838%0.381CS..Hα-helixtrans-60.9-43.5177.9-178.9102.1000111.8W40 I44 F55 S56 S57 F62 S63 Y139 F140W40-W59 AromaticContact CD1-CE2 3.71Å; W40-W59 AromaticContact CD1-CZ2 3.45Å; W40-W59 VanDerWaalsContact CD1-CZ2 3.45Å; W40-W59 AromaticContact CD1-NE1 3.67Å; W40-W59 HydrophobicContact CD2-CH2 4.29Å; W40-W59 AromaticContact CD2-CZ2 3.74Å; W40-W59 HydrophobicContact CD2-CZ2 3.74Å; W40-W59 AromaticContact CE2-CH2 3.57Å; W40-W59 AromaticContact CE2-CZ2 3.28Å; W40-W59 AromaticContact CG-CZ2 3.84Å; W40-W59 HydrophobicContact CG-CZ2 3.84Å; W40-W59 HydrophobicContact CH2-CH2 4.27Å; W40-W59 AromaticContact CZ2-CH2 3.56Å; W40-W59 HydrophobicContact CZ2-CH2 3.56Å; W40-W59 AromaticContact CZ2-CZ2 3.81Å; W40-W59 HydrophobicContact CZ2-CZ2 3.81Å; W40-W59 AromaticContact NE1-CE2 3.52Å; W40-W59 AromaticContact NE1-CH2 3.71Å; W40-W59 AromaticContact NE1-CZ2 3.07Å; W40-W59 AromaticContact NE1-NE1 3.93Å; W40-W59 WeakPolarHBondContact O-CZ2 3.39Å; W40-W59 PolarHBondContact O-NE1 3.34Å; I44-W59 HydrophobicContact CB-CD2 4.05Å; I44-W59 HydrophobicContact CB-CE3 4.38Å; I44-W59 HydrophobicContact CB-CG 4.49Å; I44-W59 HydrophobicContact CB-CH2 4.42Å; I44-W59 HydrophobicContact CB-CZ2 4.02Å; I44-W59 HydrophobicContact CD1-CB 4.43Å; I44-W59 HydrophobicContact CD1-CD2 3.98Å; I44-W59 HydrophobicContact CD1-CE3 3.84Å; I44-W59 HydrophobicContact CD1-CG 4.24Å; I44-W59 HydrophobicContact CD1-CZ3 4.44Å; I44-W59 HydrophobicContact CG1-CD2 4.02Å; I44-W59 HydrophobicContact CG1-CE3 3.88Å; I44-W59 HydrophobicContact CG1-CH2 4.28Å; I44-W59 HydrophobicContact CG1-CZ2 4.35Å; I44-W59 HydrophobicContact CG1-CZ3 4.04Å; I44-W59 HydrophobicContact CG2-CH2 4.09Å; I44-W59 HydrophobicContact CG2-CZ2 3.7Å; F55-W59 HydrophobicContact CD1-CB 4.39Å; F55-W59 HydrophobicContact CE1-CB 4.16Å; F55-W59 AromaticContact CE1-CD1 3.96Å; F55-W59 HydrophobicContact CE1-CG 4.27Å; F55-W59 HydrophobicContact CZ-CB 4.43Å; F55-W59 AromaticContact CZ-CD1 3.92Å; F55-W59 WeakPolarHBondContact O-CB 3.46Å; F55-W59 PolarHBondContact O-N 3.34Å; S56-W59 PolarHBondContact O-N 2.79Å; S57-W59 VanDerWaalsContact C-N 3.34Å; S57-W59 PolarHBondContact O-N 3.28Å; W59-F62 PolarHBondContact O-N 3.09Å; W59-S63 WeakPolarHBondContact O-CB 3.36Å; W59-S63 PolarHBondContact O-N 3.4Å; W59-S63 PolarHBondContact O-OG 2.88Å; W59-Y139 AromaticContact CD1-CE1 3.93Å; W59-Y139 VanDerWaalsContact CD1-OH 3.23Å; W59-Y139 PolarHBondContact NE1-OH 3.33Å; W59-Y139 VanDerWaalsContact NE1-OH 3.09Å; W59-F140 HydrophobicContact CB-CZ 4.45Å
60V96.2Very high94.9Very high71 Ų7173.5 Ų73.543%0.4335%0.353SS..Hα-helixtrans-62.6-47.9176.81680000110.2S56 S57 I58 F62 S63 V64S56-V60 WeakPolarHBondContact O-CB 3.29Å; S56-V60 VanDerWaalsContact O-CG2 3.27Å; S56-V60 WeakPolarHBondContact O-CG2 3.27Å; S56-V60 PolarHBondContact O-N 3.49Å; S57-V60 PolarHBondContact O-N 3.02Å; I58-V60 PolarHBondContact O-N 3.19Å; V60-F62 PolarHBondContact O-N 2.97Å; V60-S63 PolarHBondContact O-N 2.85Å; V60-V64 HydrophobicContact CG1-CG2 4.19Å; V60-V64 WeakPolarHBondContact O-CB 3.35Å; V60-V64 VanDerWaalsContact O-CG2 3.32Å; V60-V64 WeakPolarHBondContact O-CG2 3.23Å; V60-V64 PolarHBondContact O-N 2.83Å
61M96.2Very high95Very high127 Ų12769.3 Ų69.363%0.62635%0.349SS*.Hα-helixtrans-59.7-46.2179.1-73.3-60.5-62.700112.5S57 I58 S65S57-M61 WeakPolarHBondContact O-CG 3.31Å; S57-M61 PolarHBondContact O-N 2.89Å; I58-M61 PolarHBondContact O-N 2.95Å; M61-S65 WeakPolarHBondContact O-CB 3.46Å; M61-S65 PolarHBondContact O-N 3.28Å; M61-S65 VanDerWaalsContact O-N 3.14Å; M61-S65 PolarHBondContact O-OG 3.05Å
62F96.3Very high95Very high22 Ų2270.4 Ų70.410%0.09634%0.342CS..Hα-helixtrans-62.9-43.7176.3176.7-94.6000111.7I58 W59 V60 T66 W89 F140 L143 N144I58-F62 WeakPolarHBondContact O-CB 3.42Å; I58-F62 PolarHBondContact O-N 3.1Å; W59-F62 PolarHBondContact O-N 3.09Å; V60-F62 PolarHBondContact O-N 2.97Å; F62-T66 VanDerWaalsContact O-CB 3.26Å; F62-T66 WeakPolarHBondContact O-CB 3.4Å; F62-T66 PolarHBondContact O-N 3.35Å; F62-T66 PolarHBondContact O-OG1 3.03Å; F62-W89 HydrophobicContact CD2-CZ2 4.32Å; F62-W89 HydrophobicContact CE2-CZ2 4.45Å; F62-F140 HydrophobicContact CB-CD1 4.12Å; F62-F140 HydrophobicContact CB-CE1 3.74Å; F62-F140 AromaticContact CD1-CD1 3.63Å; F62-F140 HydrophobicContact CD1-CD1 3.63Å; F62-F140 AromaticContact CD1-CE1 3.76Å; F62-F140 HydrophobicContact CD1-CE1 3.76Å; F62-F140 AromaticContact CD2-CD1 3.92Å; F62-F140 HydrophobicContact CD2-CD1 3.92Å; F62-F140 HydrophobicContact CD2-CE1 4.42Å; F62-F140 AromaticContact CE1-CD1 3.98Å; F62-F140 HydrophobicContact CE1-CD1 3.98Å; F62-F140 HydrophobicContact CE2-CD1 4.24Å; F62-F140 AromaticContact CG-CD1 3.59Å; F62-F140 HydrophobicContact CG-CD1 3.59Å; F62-F140 AromaticContact CG-CE1 3.7Å; F62-F140 HydrophobicContact CG-CE1 3.7Å; F62-F140 HydrophobicContact CZ-CD1 4.27Å; F62-L143 HydrophobicContact CE1-CB 4.01Å; F62-L143 HydrophobicContact CE1-CD1 4.12Å; F62-L143 HydrophobicContact CZ-CB 4.3Å; F62-N144 HydrophobicContact CZ-CB 4.32Å
63S96.1Very high94.9Very high5 Ų563.9 Ų63.94%0.03532%0.317CS..Hα-helixtrans-67.4-45.8-177.3-60.70000111.8W40 W59 V60 S65 T66 L67W40-S63 PolarHBondContact NE1-OG 3.25Å; W59-S63 WeakPolarHBondContact O-CB 3.36Å; W59-S63 PolarHBondContact O-N 3.4Å; W59-S63 PolarHBondContact O-OG 2.88Å; V60-S63 PolarHBondContact O-N 2.85Å; S63-S65 PolarHBondContact O-N 3.44Å; S63-T66 PolarHBondContact O-N 3.04Å; S63-L67 VanDerWaalsContact O-CB 3.27Å; S63-L67 WeakPolarHBondContact O-CB 3.48Å; S63-L67 WeakPolarHBondContact O-CG 3.39Å; S63-L67 PolarHBondContact O-N 3.37Å
64V97.1Very high94.7Very high94 Ų9457 Ų5757%0.5730%0.301SS*.Hα-helixtrans-60.3-47.8176.8170.50000110.6V60 T66 L67 F68V60-V64 HydrophobicContact CG1-CG2 4.19Å; V60-V64 WeakPolarHBondContact O-CB 3.35Å; V60-V64 VanDerWaalsContact O-CG2 3.32Å; V60-V64 WeakPolarHBondContact O-CG2 3.23Å; V60-V64 PolarHBondContact O-N 2.83Å; V64-T66 PolarHBondContact O-N 3.46Å; V64-L67 PolarHBondContact O-N 3.17Å; V64-F68 WeakPolarHBondContact O-CB 3.41Å; V64-F68 PolarHBondContact O-N 3.15Å
65S96.5Very high94.4Very high36 Ų3650.6 Ų50.625%0.25228%0.28SS..Hα-helixtrans-62.8-43.6179.5-54.90000111.7M61 S63 F68 V69 W89M61-S65 WeakPolarHBondContact O-CB 3.46Å; M61-S65 PolarHBondContact O-N 3.28Å; M61-S65 VanDerWaalsContact O-N 3.14Å; M61-S65 PolarHBondContact O-OG 3.05Å; S63-S65 PolarHBondContact O-N 3.44Å; S65-F68 WeakPolarHBondContact O-CB 3.36Å; S65-F68 PolarHBondContact O-N 2.85Å; S65-V69 WeakPolarHBondContact O-CG2 3.34Å; S65-V69 PolarHBondContact O-N 2.86Å; S65-V69 VanDerWaalsContact O-N 3.15Å; S65-W89 VanDerWaalsContact CB-CZ2 3.44Å
66T96.1Very high93.4Very high0 Ų059.5 Ų59.50%032%0.319CS..Hα-helixtrans-69.2-42.5179.8-58.40000111.7F62 S63 V64 F68 V69 V70 W89 F90 F147F62-T66 VanDerWaalsContact O-CB 3.26Å; F62-T66 WeakPolarHBondContact O-CB 3.4Å; F62-T66 PolarHBondContact O-N 3.35Å; F62-T66 PolarHBondContact O-OG1 3.03Å; S63-T66 PolarHBondContact O-N 3.04Å; V64-T66 PolarHBondContact O-N 3.46Å; T66-F68 VanDerWaalsContact C-N 3.3Å; T66-F68 PolarHBondContact O-N 3.07Å; T66-V69 PolarHBondContact O-N 2.96Å; T66-V69 VanDerWaalsContact O-N 3.15Å; T66-V70 HydrophobicContact CG2-CG2 4.2Å; T66-V70 WeakPolarHBondContact O-CB 3.48Å; T66-V70 WeakPolarHBondContact O-CG2 3.49Å; T66-V70 PolarHBondContact O-N 2.68Å; T66-W89 PolarHBondContact OG1-NE1 3.01Å; T66-F90 HydrophobicContact CG2-CE1 4.5Å; T66-F147 HydrophobicContact CG2-CB 3.85Å; T66-F147 HydrophobicContact CG2-CD1 3.9Å; T66-F147 HydrophobicContact CG2-CD2 3.61Å; T66-F147 HydrophobicContact CG2-CE1 4.33Å; T66-F147 HydrophobicContact CG2-CE2 4.08Å; T66-F147 HydrophobicContact CG2-CG 3.52Å; T66-F147 HydrophobicContact CG2-CZ 4.42Å
67L95.5Very high92.6Very high82 Ų8267.1 Ų67.143%0.42935%0.352SS..Hα-helixtrans-63.3-36176.2-72.6172.3000112W40 S63 V64 V70 S71W40-L67 HydrophobicContact CH2-CD1 4.38Å; W40-L67 HydrophobicContact CZ2-CD1 4.18Å; S63-L67 VanDerWaalsContact O-CB 3.27Å; S63-L67 WeakPolarHBondContact O-CB 3.48Å; S63-L67 WeakPolarHBondContact O-CG 3.39Å; S63-L67 PolarHBondContact O-N 3.37Å; V64-L67 PolarHBondContact O-N 3.17Å; L67-V70 PolarHBondContact O-N 3.28Å; L67-S71 VanDerWaalsContact O-CB 3.3Å; L67-S71 WeakPolarHBondContact O-CB 3.35Å; L67-S71 PolarHBondContact O-N 2.87Å
68F96Very high91.7Very high118 Ų11865.7 Ų65.752%0.51834%0.339SS..Hα-helixtrans-60.6-46.3171.9172.9-100.6000111.7V64 S65 T66 S71 K72 L85V64-F68 WeakPolarHBondContact O-CB 3.41Å; V64-F68 PolarHBondContact O-N 3.15Å; S65-F68 WeakPolarHBondContact O-CB 3.36Å; S65-F68 PolarHBondContact O-N 2.85Å; T66-F68 VanDerWaalsContact C-N 3.3Å; T66-F68 PolarHBondContact O-N 3.07Å; F68-S71 WeakPolarHBondContact O-CB 3.47Å; F68-S71 PolarHBondContact O-N 3.47Å; F68-K72 HydrophobicContact CE1-CG 4.38Å; F68-K72 HydrophobicContact CZ-CG 4.26Å; F68-K72 WeakPolarHBondContact O-CG 3.49Å; F68-K72 PolarHBondContact O-N 3.33Å; F68-L85 HydrophobicContact CE1-CD2 4.4Å
69V94.8Very high90.9Very high6 Ų664.9 Ų64.94%0.03634%0.34CS..Hα-helixtrans-65.2-42177.6175.50000111.6S65 T66 S71 K72 A73 I86 W89 F90S65-V69 WeakPolarHBondContact O-CG2 3.34Å; S65-V69 PolarHBondContact O-N 2.86Å; S65-V69 VanDerWaalsContact O-N 3.15Å; T66-V69 PolarHBondContact O-N 2.96Å; T66-V69 VanDerWaalsContact O-N 3.15Å; V69-S71 VanDerWaalsContact C-N 3.34Å; V69-S71 PolarHBondContact O-N 3.28Å; V69-K72 WeakPolarHBondContact O-CB 3.43Å; V69-K72 PolarHBondContact O-N 2.7Å; V69-A73 PolarHBondContact O-N 2.67Å; V69-I86 HydrophobicContact CG1-CB 4.13Å; V69-I86 HydrophobicContact CG1-CG1 3.68Å; V69-I86 HydrophobicContact CG1-CG2 4.16Å; V69-W89 HydrophobicContact CG1-CB 4.43Å; V69-W89 HydrophobicContact CG1-CG 4.44Å; V69-W89 HydrophobicContact CG2-CB 4.05Å; V69-W89 HydrophobicContact CG2-CD2 4.31Å; V69-W89 HydrophobicContact CG2-CG 3.78Å; V69-F90 HydrophobicContact CG1-CE2 4.06Å; V69-F90 HydrophobicContact CG1-CZ 4.39Å
70V93.7Very high90.2Very high26 Ų2664.5 Ų64.516%0.15834%0.344CS..Hα-helixtrans-62-41.9175.5172.30000111.2T66 L67 K72 A73 S74 F147 C151T66-V70 HydrophobicContact CG2-CG2 4.2Å; T66-V70 WeakPolarHBondContact O-CB 3.48Å; T66-V70 WeakPolarHBondContact O-CG2 3.49Å; T66-V70 PolarHBondContact O-N 2.68Å; L67-V70 PolarHBondContact O-N 3.28Å; V70-K72 VanDerWaalsContact C-N 3.35Å; V70-K72 PolarHBondContact O-N 2.95Å; V70-A73 WeakPolarHBondContact O-CB 3.26Å; V70-A73 PolarHBondContact O-N 3.43Å; V70-S74 WeakPolarHBondContact O-CB 3.25Å; V70-S74 PolarHBondContact O-N 2.74Å; V70-S74 PolarHBondContact O-OG 3.24Å; V70-F147 HydrophobicContact CG2-CD1 3.74Å; V70-F147 HydrophobicContact CG2-CE1 4.25Å; V70-C151 WeakPolarHBondContact CG2-SG 3.26Å
71S93.3Very high89.6Confident73 Ų7364.8 Ų64.851%0.5135%0.349SS..Hα-helixtrans-60.8-45176178.10000111.1L67 F68 V69 A73 S74 Q75L67-S71 VanDerWaalsContact O-CB 3.3Å; L67-S71 WeakPolarHBondContact O-CB 3.35Å; L67-S71 PolarHBondContact O-N 2.87Å; F68-S71 WeakPolarHBondContact O-CB 3.47Å; F68-S71 PolarHBondContact O-N 3.47Å; V69-S71 VanDerWaalsContact C-N 3.34Å; V69-S71 PolarHBondContact O-N 3.28Å; S71-A73 VanDerWaalsContact C-N 3.33Å; S71-A73 PolarHBondContact O-N 3.15Å; S71-S74 PolarHBondContact O-N 2.98Å; S71-S74 VanDerWaalsContact O-N 3.14Å; S71-Q75 WeakPolarHBondContact O-CG 3.24Å; S71-Q75 PolarHBondContact O-N 3.17Å
72K92Very high89.3Confident64 Ų6459 Ų5928%0.27832%0.321SS..Hα-helixtrans-61.1-38.8173.7-70.8-69.7-175.4178.90112.8F68 V69 V70 S74 Q75 T82F68-K72 HydrophobicContact CE1-CG 4.38Å; F68-K72 HydrophobicContact CZ-CG 4.26Å; F68-K72 WeakPolarHBondContact O-CG 3.49Å; F68-K72 PolarHBondContact O-N 3.33Å; V69-K72 WeakPolarHBondContact O-CB 3.43Å; V69-K72 PolarHBondContact O-N 2.7Å; V70-K72 VanDerWaalsContact C-N 3.35Å; V70-K72 PolarHBondContact O-N 2.95Å; K72-S74 VanDerWaalsContact C-N 3.25Å; K72-S74 PolarHBondContact O-N 3.27Å; K72-Q75 PolarHBondContact O-N 3.04Å; K72-T82 HydrophobicContact CB-CG2 4.13Å
73A89.6Confident89Confident0 Ų058 Ų580%032%0.317CS..Hα-helixtrans-66.9-26.2176.400000113.3V69 V70 S71 I86 C151 M155V69-A73 PolarHBondContact O-N 2.67Å; V70-A73 WeakPolarHBondContact O-CB 3.26Å; V70-A73 PolarHBondContact O-N 3.43Å; S71-A73 VanDerWaalsContact C-N 3.33Å; S71-A73 PolarHBondContact O-N 3.15Å; A73-I86 HydrophobicContact CB-CD1 3.6Å; A73-I86 HydrophobicContact CB-CG1 4.5Å; A73-C151 HydrophobicContact CB-CB 4.01Å; A73-M155 HydrophobicContact CB-CG 4.22Å
74S88.7Confident88.7Confident62 Ų6260.9 Ų60.943%0.43433%0.327SS..THydrogen-bonded Turntrans-92.71.3-176-52.80000113.6V70 S71 K72V70-S74 WeakPolarHBondContact O-CB 3.25Å; V70-S74 PolarHBondContact O-N 2.74Å; V70-S74 PolarHBondContact O-OG 3.24Å; S71-S74 PolarHBondContact O-N 2.98Å; S71-S74 VanDerWaalsContact O-N 3.14Å; K72-S74 VanDerWaalsContact C-N 3.25Å; K72-S74 PolarHBondContact O-N 3.27Å
75Q86.8Confident88.5Confident79 Ų7960.2 Ų60.237%0.36932%0.32SS..  trans-70134.3178-62.1-169.8-46.400110.4S71 K72 Q77S71-Q75 WeakPolarHBondContact O-CG 3.24Å; S71-Q75 PolarHBondContact O-N 3.17Å; K72-Q75 PolarHBondContact O-N 3.04Å; Q75-Q77 PolarHBondContact O-N 2.84Å
76K75.3Confident88.4Confident194 Ų19458.5 Ų58.584%0.84331%0.308SS*.SBendtrans-57.9-32.5-178.4-69.7-176.3178.8-1800113.5
77Q76Confident88.1Confident177 Ų17758.6 Ų58.683%0.82731%0.308SS*.SBendtrans-117.1107.9174.9-71.7-179.5-13.200108.4Q75Q75-Q77 PolarHBondContact O-N 2.84Å
78I76.3Confident88Confident42 Ų4261.7 Ų61.722%0.21532%0.318CS..  trans-84.2118.7-179.8-58.7177.3000107.4T82 P83 M155 H158I78-T82 HydrophobicContact CG2-CG2 3.85Å; I78-P83 HydrophobicContact CG2-CG 3.97Å; I78-M155 HydrophobicContact CD1-CB 4.26Å; I78-M155 HydrophobicContact CD1-CG 4.09Å; I78-H158 HydrophobicContact CD1-CB 3.73Å; I78-H158 HydrophobicContact CG1-CB 4.44Å
79S80.1Confident87.9Confident58 Ų5858.6 Ų58.641%0.40630%0.303SS..  trans-71.1156.4172.673.50000110.4S81 T82 P83S79-S81 PolarHBondContact O-N 2.9Å; S79-S81 VanDerWaalsContact O-N 3.1Å; S79-S81 PolarHBondContact OG-OG 3.05Å; S79-T82 WeakPolarHBondContact O-CB 3.34Å; S79-T82 PolarHBondContact O-N 2.91Å; S79-T82 PolarHBondContact OG-OG1 3.49Å; S79-T82 VanDerWaalsContact OG-OG1 3.07Å; S79-P83 WeakPolarHBondContact O-CD 3.33Å
80G80.9Confident87.8Confident18 Ų1858.5 Ų58.519%0.18630%0.302CS..THydrogen-bonded Turntrans-67.7-16.1-171.900000116.3C180 N182G80-C180 CarbonylContact C-O 3.58Å; G80-C180 WeakPolarHBondContact CA-O 3.44Å; G80-C180 WeakPolarHBondContact O-CB 3.26Å; G80-N182 PolarHBondContact O-ND2 3.39Å
81S85.2Confident87.7Confident77 Ų7760.8 Ų60.854%0.53831%0.313SS..THydrogen-bonded Turntrans-85-20.9173.856.80000113.4S79 R84 L85S79-S81 PolarHBondContact O-N 2.9Å; S79-S81 VanDerWaalsContact O-N 3.1Å; S79-S81 PolarHBondContact OG-OG 3.05Å; S81-R84 PolarHBondContact O-N 3.39Å; S81-L85 PolarHBondContact O-N 3.13Å; S81-L85 VanDerWaalsContact O-N 3.09Å
82T89.2Confident87.7Confident6 Ų663 Ų634%0.03731%0.313CS..Hα-helixtrans-61.9-46.7-172.7-70.50000113.7K72 I78 S79 R84 L85 I86K72-T82 HydrophobicContact CB-CG2 4.13Å; I78-T82 HydrophobicContact CG2-CG2 3.85Å; S79-T82 WeakPolarHBondContact O-CB 3.34Å; S79-T82 PolarHBondContact O-N 2.91Å; S79-T82 PolarHBondContact OG-OG1 3.49Å; S79-T82 VanDerWaalsContact OG-OG1 3.07Å; T82-R84 PolarHBondContact O-N 3.27Å; T82-L85 WeakPolarHBondContact O-CB 3.35Å; T82-L85 PolarHBondContact O-N 3.47Å; T82-I86 HydrophobicContact CG2-CD1 3.48Å; T82-I86 VanDerWaalsContact CG2-CD1 3.48Å; T82-I86 HydrophobicContact CG2-CG1 4.28Å; T82-I86 WeakPolarHBondContact O-CD1 3.45Å; T82-I86 VanDerWaalsContact O-CG1 3.3Å; T82-I86 WeakPolarHBondContact O-CG1 3.32Å; T82-I86 PolarHBondContact O-N 3.27Å
83P89.8Confident87.7Confident1 Ų160.1 Ų60.11%0.00630%0.302CS..Hα-helixtrans-59.2-37.3178.1-25.135.5000112.1I78 S79 I86 Y87 M155 V179 C180I78-P83 HydrophobicContact CG2-CG 3.97Å; S79-P83 WeakPolarHBondContact O-CD 3.33Å; P83-I86 PolarHBondContact O-N 2.96Å; P83-Y87 HydrophobicContact CB-CE2 4.16Å; P83-Y87 WeakPolarHBondContact O-CB 3.34Å; P83-Y87 WeakPolarHBondContact O-CD2 3.43Å; P83-Y87 PolarHBondContact O-N 3.31Å; P83-M155 HydrophobicContact CB-SD 4.26Å; P83-M155 HydrophobicContact CG-SD 4.49Å; P83-V179 HydrophobicContact CB-CG1 4.26Å; P83-V179 WeakPolarHBondContact CG-O 3.36Å; P83-C180 HydrophobicContact CG-CB 4.44Å
84R90.8Very high87.8Confident65 Ų6563.9 Ų63.925%0.24532%0.319CS..Hα-helixtrans-67.4-43.3179-61.4-175.6-177.7-157.3-0.8111.8S81 T82 I86 K88 E193 H205 F207S81-R84 PolarHBondContact O-N 3.39Å; T82-R84 PolarHBondContact O-N 3.27Å; R84-I86 VanDerWaalsContact C-N 3.32Å; R84-I86 PolarHBondContact O-N 3.13Å; R84-K88 WeakPolarHBondContact O-CB 3.5Å; R84-K88 PolarHBondContact O-N 3.32Å; R84-E193 IonicContact CZ-OE1 3.22Å; R84-E193 IonicContact CZ-OE2 3.02Å; R84-E193 IonicContact NE-OE1 3.89Å; R84-E193 VanDerWaalsContact NH1-CD 3.26Å; R84-E193 IonicContact NH1-OE1 3.18Å; R84-E193 PolarHBondContact NH1-OE1 2.7Å; R84-E193 IonicContact NH1-OE2 2.68Å; R84-E193 PolarHBondContact NH1-OE2 2.87Å; R84-E193 VanDerWaalsContact NH2-CD 3.35Å; R84-E193 IonicContact NH2-OE1 3.29Å; R84-E193 PolarHBondContact NH2-OE1 2.88Å; R84-E193 IonicContact NH2-OE2 2.67Å; R84-E193 PolarHBondContact NH2-OE2 3.23Å; R84-H205 PolarHBondContact NH2-CE1 3.37Å; R84-H205 VanDerWaalsContact NH2-CE1 3.27Å; R84-H205 PolarHBondContact NH2-ND1 2.89Å; R84-H205 VanDerWaalsContact NH2-ND1 3.17Å; R84-H205 PolarHBondContact NH2-NE2 3.44Å; R84-F207 HydrophobicContact CB-CD1 4.49Å; R84-F207 HydrophobicContact CB-CE1 4.15Å; R84-F207 HydrophobicContact CG-CD1 4.27Å; R84-F207 HydrophobicContact CG-CE1 4.42Å
85L92.4Very high87.9Confident81 Ų8167 Ų6742%0.42433%0.325SS..Hα-helixtrans-58.6-47175-179.968.3000110.9F68 S81 T82 K88 W89F68-L85 HydrophobicContact CE1-CD2 4.4Å; S81-L85 PolarHBondContact O-N 3.13Å; S81-L85 VanDerWaalsContact O-N 3.09Å; T82-L85 WeakPolarHBondContact O-CB 3.35Å; T82-L85 PolarHBondContact O-N 3.47Å; L85-K88 PolarHBondContact O-N 2.94Å; L85-W89 PolarHBondContact O-N 3.48Å
86I93.3Very high88.2Confident0 Ų067.2 Ų67.20%033%0.328CS..Hα-helixtrans-61.1-52.4-179.6-69163.7000110.8V69 A73 T82 P83 R84 K88 W89 F90 C151 M155V69-I86 HydrophobicContact CG1-CB 4.13Å; V69-I86 HydrophobicContact CG1-CG1 3.68Å; V69-I86 HydrophobicContact CG1-CG2 4.16Å; A73-I86 HydrophobicContact CB-CD1 3.6Å; A73-I86 HydrophobicContact CB-CG1 4.5Å; T82-I86 HydrophobicContact CG2-CD1 3.48Å; T82-I86 VanDerWaalsContact CG2-CD1 3.48Å; T82-I86 HydrophobicContact CG2-CG1 4.28Å; T82-I86 WeakPolarHBondContact O-CD1 3.45Å; T82-I86 VanDerWaalsContact O-CG1 3.3Å; T82-I86 WeakPolarHBondContact O-CG1 3.32Å; T82-I86 PolarHBondContact O-N 3.27Å; P83-I86 PolarHBondContact O-N 2.96Å; R84-I86 VanDerWaalsContact C-N 3.32Å; R84-I86 PolarHBondContact O-N 3.13Å; I86-K88 VanDerWaalsContact C-N 3.31Å; I86-K88 PolarHBondContact O-N 3.48Å; I86-W89 PolarHBondContact O-N 2.89Å; I86-F90 HydrophobicContact CG2-CD2 3.63Å; I86-F90 HydrophobicContact CG2-CE2 3.59Å; I86-F90 WeakPolarHBondContact O-CD2 3.45Å; I86-F90 PolarHBondContact O-N 3.43Å; I86-C151 HydrophobicContact CG2-CB 4.26Å; I86-M155 HydrophobicContact CB-CE 4.39Å; I86-M155 HydrophobicContact CB-SD 4.32Å; I86-M155 HydrophobicContact CD1-CE 4.29Å; I86-M155 HydrophobicContact CD1-CG 4.15Å; I86-M155 HydrophobicContact CD1-SD 3.3Å; I86-M155 WeakPolarHBondContact CD1-SD 3.4Å; I86-M155 HydrophobicContact CG1-SD 4.39Å; I86-M155 HydrophobicContact CG2-CE 3.8Å; I86-M155 HydrophobicContact CG2-SD 4.24Å
87Y91.3Very high89Confident2 Ų258.2 Ų58.21%0.00829%0.29CS..Hα-helixtrans-63-37.8178.8-61.5-32.5000112.3P83 L91 M155 V179 V215P83-Y87 HydrophobicContact CB-CE2 4.16Å; P83-Y87 WeakPolarHBondContact O-CB 3.34Å; P83-Y87 WeakPolarHBondContact O-CD2 3.43Å; P83-Y87 PolarHBondContact O-N 3.31Å; Y87-L91 WeakPolarHBondContact O-CB 3.32Å; Y87-L91 PolarHBondContact O-N 2.92Å; Y87-M155 HydrophobicContact CD1-CE 4.33Å; Y87-M155 HydrophobicContact CE1-CE 3.51Å; Y87-V179 HydrophobicContact CE2-CG1 4.07Å; Y87-V215 HydrophobicContact CD1-CB 3.92Å; Y87-V215 HydrophobicContact CD1-CG1 4.1Å; Y87-V215 HydrophobicContact CD1-CG2 4.02Å; Y87-V215 HydrophobicContact CE1-CB 4.2Å; Y87-V215 HydrophobicContact CE1-CG1 4.49Å
88K92.1Very high89.7Confident146 Ų14654.4 Ų54.464%0.63527%0.268SS*.Hα-helixtrans-64.5-43.2177.2-170.8175.2-177.8178.60111.8R84 L85 I86 F92 F207R84-K88 WeakPolarHBondContact O-CB 3.5Å; R84-K88 PolarHBondContact O-N 3.32Å; L85-K88 PolarHBondContact O-N 2.94Å; I86-K88 VanDerWaalsContact C-N 3.31Å; I86-K88 PolarHBondContact O-N 3.48Å; K88-F92 VanDerWaalsContact O-CB 3.29Å; K88-F92 WeakPolarHBondContact O-CB 3.45Å; K88-F92 PolarHBondContact O-N 2.94Å; K88-F207 HydrophobicContact CB-CZ 4.33Å
89W94.7Very high90.6Very high54 Ų5456.2 Ų56.221%0.20528%0.281CS..Hα-helixtrans-60.5-53.9175.5173.5-107.3000111.7F62 S65 T66 V69 L85 I86 L91 F92 S93F62-W89 HydrophobicContact CD2-CZ2 4.32Å; F62-W89 HydrophobicContact CE2-CZ2 4.45Å; S65-W89 VanDerWaalsContact CB-CZ2 3.44Å; T66-W89 PolarHBondContact OG1-NE1 3.01Å; V69-W89 HydrophobicContact CG1-CB 4.43Å; V69-W89 HydrophobicContact CG1-CG 4.44Å; V69-W89 HydrophobicContact CG2-CB 4.05Å; V69-W89 HydrophobicContact CG2-CD2 4.31Å; V69-W89 HydrophobicContact CG2-CG 3.78Å; L85-W89 PolarHBondContact O-N 3.48Å; I86-W89 PolarHBondContact O-N 2.89Å; W89-L91 VanDerWaalsContact C-N 3.31Å; W89-L91 PolarHBondContact O-N 3.28Å; W89-F92 HydrophobicContact CZ3-CD1 4.43Å; W89-F92 PolarHBondContact O-N 3.46Å; W89-S93 WeakPolarHBondContact O-CB 3.28Å; W89-S93 PolarHBondContact O-N 3.43Å; W89-S93 PolarHBondContact O-OG 3.29Å
90F93.4Very high91.3Very high3 Ų355.8 Ų55.81%0.01327%0.274CS..Hα-helixtrans-65.4-34.3-177.2-73.7-59.5000112.8T66 V69 I86 H94 N144 F147 A148 C151 V215T66-F90 HydrophobicContact CG2-CE1 4.5Å; V69-F90 HydrophobicContact CG1-CE2 4.06Å; V69-F90 HydrophobicContact CG1-CZ 4.39Å; I86-F90 HydrophobicContact CG2-CD2 3.63Å; I86-F90 HydrophobicContact CG2-CE2 3.59Å; I86-F90 WeakPolarHBondContact O-CD2 3.45Å; I86-F90 PolarHBondContact O-N 3.43Å; F90-H94 WeakPolarHBondContact O-CB 3.49Å; F90-H94 PolarHBondContact O-N 3.35Å; F90-N144 VanDerWaalsContact CD1-OD1 3.27Å; F90-N144 WeakPolarHBondContact CD1-OD1 3.34Å; F90-N144 PolarHBondContact O-ND2 3.24Å; F90-N144 VanDerWaalsContact O-ND2 3.08Å; F90-F147 HydrophobicContact CE1-CB 3.65Å; F90-F147 HydrophobicContact CZ-CB 3.91Å; F90-A148 HydrophobicContact CB-CB 4.18Å; F90-A148 HydrophobicContact CD1-CB 3.65Å; F90-A148 HydrophobicContact CD2-CB 4.12Å; F90-A148 HydrophobicContact CE1-CB 4.07Å; F90-A148 HydrophobicContact CE2-CB 4.45Å; F90-A148 HydrophobicContact CG-CB 3.73Å; F90-A148 HydrophobicContact CZ-CB 4.45Å; F90-C151 HydrophobicContact CE2-CB 3.69Å; F90-C151 HydrophobicContact CZ-CB 4.13Å; F90-V215 HydrophobicContact CB-CG1 3.99Å; F90-V215 HydrophobicContact CD2-CG1 4.25Å; F90-V215 HydrophobicContact CG-CG1 4.35Å
91L90.1Very high91.9Very high75 Ų7555.5 Ų55.539%0.39327%0.271SS..Hα-helixtrans-68-43.6174-177.565.1000111.9Y87 W89 H94 K95 F207Y87-L91 WeakPolarHBondContact O-CB 3.32Å; Y87-L91 PolarHBondContact O-N 2.92Å; W89-L91 VanDerWaalsContact C-N 3.31Å; W89-L91 PolarHBondContact O-N 3.28Å; L91-H94 PolarHBondContact O-N 3.07Å; L91-K95 WeakPolarHBondContact O-CG 3.24Å; L91-K95 PolarHBondContact O-N 2.89Å; L91-F207 HydrophobicContact CD2-CE2 4.49Å
92F93.3Very high92.3Very high118 Ų11857.8 Ų57.852%0.51827%0.272SS..Hα-helixtrans-61.1-51.7176.4169.7-102.4000111.1K88 W89 H94 K95 L96K88-F92 VanDerWaalsContact O-CB 3.29Å; K88-F92 WeakPolarHBondContact O-CB 3.45Å; K88-F92 PolarHBondContact O-N 2.94Å; W89-F92 HydrophobicContact CZ3-CD1 4.43Å; W89-F92 PolarHBondContact O-N 3.46Å; F92-H94 VanDerWaalsContact C-N 3.31Å; F92-H94 PolarHBondContact O-N 2.97Å; F92-K95 PolarHBondContact O-N 3.41Å; F92-K95 VanDerWaalsContact O-N 3.17Å; F92-L96 HydrophobicContact CE1-CD2 4.44Å; F92-L96 HydrophobicContact CZ-CD2 4.43Å; F92-L96 PolarHBondContact O-N 3.48Å
93S93.4Very high92.6Very high5 Ų560.4 Ų60.44%0.03529%0.287CS..Hα-helixtrans-62.3-36.8179.1-68.80000112.3W89 S97 N144W89-S93 WeakPolarHBondContact O-CB 3.28Å; W89-S93 PolarHBondContact O-N 3.43Å; W89-S93 PolarHBondContact O-OG 3.29Å; S93-S97 VanDerWaalsContact O-CB 3.27Å; S93-S97 WeakPolarHBondContact O-CB 3.29Å; S93-S97 PolarHBondContact O-N 3.4Å; S93-S97 PolarHBondContact O-OG 2.98Å; S93-N144 WeakPolarHBondContact CB-OD1 3.25Å
94H90Very high92.9Very high78 Ų7860.4 Ų60.436%0.36129%0.287SS..Hα-helixtrans-62.9-49.7172.2-179.9-67.7000111.4F90 L91 F92 L96 S97 Y98 N144F90-H94 WeakPolarHBondContact O-CB 3.49Å; F90-H94 PolarHBondContact O-N 3.35Å; L91-H94 PolarHBondContact O-N 3.07Å; F92-H94 VanDerWaalsContact C-N 3.31Å; F92-H94 PolarHBondContact O-N 2.97Å; H94-L96 VanDerWaalsContact C-N 3.33Å; H94-L96 PolarHBondContact O-N 3.45Å; H94-S97 PolarHBondContact O-N 2.98Å; H94-Y98 WeakPolarHBondContact O-CB 3.38Å; H94-Y98 PolarHBondContact O-N 3.34Å; H94-N144 PolarHBondContact N-ND2 3.25Å
95K90.8Very high93.1Very high128 Ų12863.6 Ų63.656%0.55730%0.3SS*.Hα-helixtrans-59.9-44.2179.3-76.2-176.9178.2-172.10111.6L91 F92 Y98 V99L91-K95 WeakPolarHBondContact O-CG 3.24Å; L91-K95 PolarHBondContact O-N 2.89Å; F92-K95 PolarHBondContact O-N 3.41Å; F92-K95 VanDerWaalsContact O-N 3.17Å; K95-Y98 PolarHBondContact O-N 3.05Å; K95-V99 WeakPolarHBondContact O-CB 3.32Å; K95-V99 VanDerWaalsContact O-CG2 3.28Å; K95-V99 WeakPolarHBondContact O-CG2 3.25Å; K95-V99 PolarHBondContact O-N 3.23Å
96L94.2Very high93.2Very high84 Ų8462 Ų6244%0.4430%0.298SS..Hα-helixtrans-61.6-47.2177-178.261.1000111.4F92 H94 Y98 V99 L100F92-L96 HydrophobicContact CE1-CD2 4.44Å; F92-L96 HydrophobicContact CZ-CD2 4.43Å; F92-L96 PolarHBondContact O-N 3.48Å; H94-L96 VanDerWaalsContact C-N 3.33Å; H94-L96 PolarHBondContact O-N 3.45Å; L96-Y98 VanDerWaalsContact C-N 3.34Å; L96-Y98 PolarHBondContact O-N 2.99Å; L96-V99 PolarHBondContact O-N 2.91Å; L96-L100 HydrophobicContact CD1-CD1 4.25Å; L96-L100 HydrophobicContact CD1-CG 4.32Å; L96-L100 HydrophobicContact CG-CD1 4.12Å; L96-L100 WeakPolarHBondContact O-CB 3.44Å; L96-L100 VanDerWaalsContact O-CG 3.31Å; L96-L100 WeakPolarHBondContact O-CG 3.29Å; L96-L100 PolarHBondContact O-N 2.83Å
97S92.9Very high93.3Very high5 Ų563.8 Ų63.84%0.03531%0.31CS..Hα-helixtrans-61.1-42.6178.2-60.30000111.9S93 H94 G101 G137 G141S93-S97 VanDerWaalsContact O-CB 3.27Å; S93-S97 WeakPolarHBondContact O-CB 3.29Å; S93-S97 PolarHBondContact O-N 3.4Å; S93-S97 PolarHBondContact O-OG 2.98Å; H94-S97 PolarHBondContact O-N 2.98Å; S97-G101 PolarHBondContact O-N 3.46Å; S97-G137 WeakPolarHBondContact CB-O 3.38Å; S97-G137 WeakPolarHBondContact O-CA 3.4Å; S97-G141 PolarHBondContact OG-N 3.42Å
98Y90.5Very high93.5Very high97 Ų9765 Ų6538%0.3832%0.316SS..Hα-helixtrans-63.9-46.9176.5-178.4-91.9000111.9H94 K95 L96 G101 F102H94-Y98 WeakPolarHBondContact O-CB 3.38Å; H94-Y98 PolarHBondContact O-N 3.34Å; K95-Y98 PolarHBondContact O-N 3.05Å; L96-Y98 VanDerWaalsContact C-N 3.34Å; L96-Y98 PolarHBondContact O-N 2.99Å; Y98-G101 PolarHBondContact O-N 2.81Å; Y98-F102 WeakPolarHBondContact O-CB 3.42Å; Y98-F102 PolarHBondContact O-N 3.43Å
99V93.7Very high93.7Very high80 Ų8061.6 Ų61.649%0.48530%0.304SS..Hα-helixtrans-61.7-46.1177.6169.90000111K95 L96 G101 F102 V103K95-V99 WeakPolarHBondContact O-CB 3.32Å; K95-V99 VanDerWaalsContact O-CG2 3.28Å; K95-V99 WeakPolarHBondContact O-CG2 3.25Å; K95-V99 PolarHBondContact O-N 3.23Å; L96-V99 PolarHBondContact O-N 2.91Å; V99-G101 VanDerWaalsContact C-N 3.34Å; V99-G101 PolarHBondContact O-N 2.89Å; V99-F102 PolarHBondContact O-N 3.42Å; V99-V103 HydrophobicContact CG1-CG2 4.2Å; V99-V103 WeakPolarHBondContact O-CB 3.37Å; V99-V103 VanDerWaalsContact O-CG2 3.25Å; V99-V103 WeakPolarHBondContact O-CG2 3.3Å; V99-V103 PolarHBondContact O-N 3Å
100L95.5Very high93.7Very high48 Ų4859.6 Ų59.625%0.25130%0.3SS..Hα-helixtrans-61.7-41.8176.4-70.2173.3000111.9L96 G104 L133L96-L100 HydrophobicContact CD1-CD1 4.25Å; L96-L100 HydrophobicContact CD1-CG 4.32Å; L96-L100 HydrophobicContact CG-CD1 4.12Å; L96-L100 WeakPolarHBondContact O-CB 3.44Å; L96-L100 VanDerWaalsContact O-CG 3.31Å; L96-L100 WeakPolarHBondContact O-CG 3.29Å; L96-L100 PolarHBondContact O-N 2.83Å; L100-G104 PolarHBondContact O-N 3.29Å; L100-L133 HydrophobicContact CD2-CD1 4.42Å; L100-L133 HydrophobicContact CD2-CD2 4.22Å; L100-L133 HydrophobicContact CD2-CG 4.02Å; L100-L133 WeakPolarHBondContact O-CD2 3.07Å
101G93.3Very high93.7Very high12 Ų1259.7 Ų59.712%0.12430%0.301CS..Hα-helixtrans-62.4-47.617600000112.4S97 Y98 V99 G104 Y105S97-G101 PolarHBondContact O-N 3.46Å; Y98-G101 PolarHBondContact O-N 2.81Å; V99-G101 VanDerWaalsContact C-N 3.34Å; V99-G101 PolarHBondContact O-N 2.89Å; G101-G104 PolarHBondContact O-N 3.36Å; G101-Y105 WeakPolarHBondContact O-CB 3.36Å; G101-Y105 PolarHBondContact O-N 2.8Å
102F93Very high93.9Very high126 Ų12660.5 Ų60.555%0.55331%0.309SS*.Hα-helixtrans-64.7-47.5179.5178.9-97.9000112.2Y98 V99 G104 Y105 A106Y98-F102 WeakPolarHBondContact O-CB 3.42Å; Y98-F102 PolarHBondContact O-N 3.43Å; V99-F102 PolarHBondContact O-N 3.42Å; F102-G104 VanDerWaalsContact C-N 3.33Å; F102-G104 PolarHBondContact O-N 3.28Å; F102-Y105 PolarHBondContact O-N 2.69Å; F102-A106 WeakPolarHBondContact O-CB 3.04Å; F102-A106 PolarHBondContact O-N 3.44Å
103V95.8Very high94Very high61 Ų6160.7 Ų60.737%0.3732%0.315SS..Hα-helixtrans-64-40.9177.6175.80000110.4V99 Y105 A106 V107 L133V99-V103 HydrophobicContact CG1-CG2 4.2Å; V99-V103 WeakPolarHBondContact O-CB 3.37Å; V99-V103 VanDerWaalsContact O-CG2 3.25Å; V99-V103 WeakPolarHBondContact O-CG2 3.3Å; V99-V103 PolarHBondContact O-N 3Å; V103-Y105 PolarHBondContact O-N 2.84Å; V103-A106 PolarHBondContact O-N 3.35Å; V103-V107 HydrophobicContact CG1-CG2 4.38Å; V103-V107 VanDerWaalsContact O-CG2 3.29Å; V103-V107 WeakPolarHBondContact O-CG2 3.44Å; V103-V107 PolarHBondContact O-N 3.23Å; V103-L133 HydrophobicContact CB-CD2 3.62Å; V103-L133 HydrophobicContact CG1-CD2 3.47Å; V103-L133 VanDerWaalsContact CG1-CD2 3.47Å
104G96.2Very high93.8Very high0 Ų062 Ų620%033%0.329CS..Hα-helixtrans-59.7-46.5175.500000112.3L100 G101 F102 V107 I108 G130L100-G104 PolarHBondContact O-N 3.29Å; G101-G104 PolarHBondContact O-N 3.36Å; F102-G104 VanDerWaalsContact C-N 3.33Å; F102-G104 PolarHBondContact O-N 3.28Å; G104-V107 PolarHBondContact O-N 2.71Å; G104-I108 VanDerWaalsContact O-CG1 3.32Å; G104-I108 WeakPolarHBondContact O-CG1 3.34Å; G104-I108 PolarHBondContact O-N 3.46Å; G104-G130 WeakPolarHBondContact CA-O 3.33Å
105Y94.5Very high93.8Very high132 Ų13262.7 Ų62.752%0.51834%0.335SS..Hα-helixtrans-61.2-44.8174.9177.8-105.8000112.4G101 F102 V103 V107 I108 L109G101-Y105 WeakPolarHBondContact O-CB 3.36Å; G101-Y105 PolarHBondContact O-N 2.8Å; F102-Y105 PolarHBondContact O-N 2.69Å; V103-Y105 PolarHBondContact O-N 2.84Å; Y105-V107 VanDerWaalsContact C-N 3.33Å; Y105-V107 PolarHBondContact O-N 2.92Å; Y105-I108 PolarHBondContact O-N 2.86Å; Y105-L109 HydrophobicContact CE1-CD2 4.35Å; Y105-L109 WeakPolarHBondContact O-CB 3.48Å; Y105-L109 PolarHBondContact O-N 2.86Å
106A95.2Very high93.4Very high47 Ų4757.5 Ų57.539%0.38831%0.313SS..Hα-helixtrans-62.3-39.1177.900000112.3F102 V103 G110F102-A106 WeakPolarHBondContact O-CB 3.04Å; F102-A106 PolarHBondContact O-N 3.44Å; V103-A106 PolarHBondContact O-N 3.35Å; A106-G110 PolarHBondContact O-N 3.31Å
107V95.7Very high92.9Very high39 Ų3958.6 Ų58.624%0.23632%0.324CS..Hα-helixtrans-66.4-43.3175.7169.60000111.6V103 G104 Y105 G110 S111 G126 F129V103-V107 HydrophobicContact CG1-CG2 4.38Å; V103-V107 VanDerWaalsContact O-CG2 3.29Å; V103-V107 WeakPolarHBondContact O-CG2 3.44Å; V103-V107 PolarHBondContact O-N 3.23Å; G104-V107 PolarHBondContact O-N 2.71Å; Y105-V107 VanDerWaalsContact C-N 3.33Å; Y105-V107 PolarHBondContact O-N 2.92Å; V107-G110 PolarHBondContact O-N 2.95Å; V107-S111 WeakPolarHBondContact O-CB 2.97Å; V107-S111 PolarHBondContact O-N 3Å; V107-S111 PolarHBondContact O-OG 2.88Å; V107-G126 VanDerWaalsContact CG1-O 3.28Å; V107-G126 WeakPolarHBondContact CG1-O 3.39Å; V107-F129 HydrophobicContact CG1-CD1 4.12Å; V107-F129 HydrophobicContact CG2-CD1 4.45Å; V107-F129 HydrophobicContact CG2-CE1 4.48Å
108I95.7Very high92.7Very high26 Ų2665.4 Ų65.413%0.13336%0.359CS..Hα-helixtrans-60.9-50.9176-68.8167000109.7G104 Y105 G110 S111 V112 M127 I131 M134G104-I108 VanDerWaalsContact O-CG1 3.32Å; G104-I108 WeakPolarHBondContact O-CG1 3.34Å; G104-I108 PolarHBondContact O-N 3.46Å; Y105-I108 PolarHBondContact O-N 2.86Å; I108-G110 VanDerWaalsContact C-N 3.33Å; I108-G110 PolarHBondContact O-N 3.37Å; I108-S111 PolarHBondContact O-N 3.46Å; I108-S111 VanDerWaalsContact O-N 3.16Å; I108-V112 WeakPolarHBondContact O-CG2 3.29Å; I108-V112 PolarHBondContact O-N 3.48Å; I108-M127 HydrophobicContact CG2-CE 4.02Å; I108-M127 HydrophobicContact CG2-SD 4.01Å; I108-I131 HydrophobicContact CD1-CG1 4Å; I108-I131 HydrophobicContact CG1-CG1 4.39Å; I108-M134 HydrophobicContact CD1-CB 4.34Å; I108-M134 HydrophobicContact CD1-CE 3.61Å; I108-M134 HydrophobicContact CD1-SD 3.84Å
109L95.5Very high92.5Very high75 Ų7564.1 Ų64.139%0.39337%0.368SS..Hα-helixtrans-61.1-43.4179.9-173.964.7000111.3Y105 S111 V112 L113Y105-L109 HydrophobicContact CE1-CD2 4.35Å; Y105-L109 WeakPolarHBondContact O-CB 3.48Å; Y105-L109 PolarHBondContact O-N 2.86Å; L109-S111 VanDerWaalsContact C-N 3.32Å; L109-S111 PolarHBondContact O-N 3.12Å; L109-V112 PolarHBondContact O-N 3.02Å; L109-L113 HydrophobicContact CD1-CD1 4.36Å; L109-L113 HydrophobicContact CG-CD1 4.02Å; L109-L113 WeakPolarHBondContact O-CB 3.48Å; L109-L113 VanDerWaalsContact O-CG 3.27Å; L109-L113 WeakPolarHBondContact O-CG 3.49Å; L109-L113 PolarHBondContact O-N 3.48Å
110G94.8Very high92.3Very high12 Ų1267.9 Ų67.912%0.12439%0.385CS..Hα-helixtrans-62.5-37.9175.800000112.9A106 V107 I108 L113 G114 L115A106-G110 PolarHBondContact O-N 3.31Å; V107-G110 PolarHBondContact O-N 2.95Å; I108-G110 VanDerWaalsContact C-N 3.33Å; I108-G110 PolarHBondContact O-N 3.37Å; G110-L113 PolarHBondContact O-N 3.08Å; G110-G114 PolarHBondContact O-N 3.27Å; G110-L115 WeakPolarHBondContact O-CB 3.24Å; G110-L115 PolarHBondContact O-N 3.39Å
111S93.9Very high92Very high5 Ų568.6 Ų68.64%0.03539%0.391CS..Hα-helixtrans-66.6-43175.5-57.30000111.4V107 I108 L109 L113 G114 N116 F123V107-S111 WeakPolarHBondContact O-CB 2.97Å; V107-S111 PolarHBondContact O-N 3Å; V107-S111 PolarHBondContact O-OG 2.88Å; I108-S111 PolarHBondContact O-N 3.46Å; I108-S111 VanDerWaalsContact O-N 3.16Å; L109-S111 VanDerWaalsContact C-N 3.32Å; L109-S111 PolarHBondContact O-N 3.12Å; S111-L113 VanDerWaalsContact C-N 3.32Å; S111-L113 PolarHBondContact O-N 3.41Å; S111-G114 PolarHBondContact O-N 2.88Å; S111-N116 PolarHBondContact O-OD1 3.44Å; S111-F123 VanDerWaalsContact O-CD2 3.29Å; S111-F123 WeakPolarHBondContact O-CD2 3.24Å; S111-F123 WeakPolarHBondContact O-CE2 3.45Å
112V94.2Very high92Very high93 Ų9371.1 Ų71.156%0.56441%0.407SS*.Hα-helixtrans-63.8-36.6175.7173.20000112.1I108 L109 G114 M127I108-V112 WeakPolarHBondContact O-CG2 3.29Å; I108-V112 PolarHBondContact O-N 3.48Å; L109-V112 PolarHBondContact O-N 3.02Å; V112-G114 PolarHBondContact O-N 3.39Å; V112-M127 HydrophobicContact CG2-SD 4.05Å
113L94.7Very high92Very high121 Ų12170 Ų7063%0.63440%0.402SS*.THydrogen-bonded Turntrans-79.1-0.7177.1-66.5174.6000113.8L109 G110 S111 L115L109-L113 HydrophobicContact CD1-CD1 4.36Å; L109-L113 HydrophobicContact CG-CD1 4.02Å; L109-L113 WeakPolarHBondContact O-CB 3.48Å; L109-L113 VanDerWaalsContact O-CG 3.27Å; L109-L113 WeakPolarHBondContact O-CG 3.49Å; L109-L113 PolarHBondContact O-N 3.48Å; G110-L113 PolarHBondContact O-N 3.08Å; S111-L113 VanDerWaalsContact C-N 3.32Å; S111-L113 PolarHBondContact O-N 3.41Å; L113-L115 VanDerWaalsContact C-N 3.33Å; L113-L115 HydrophobicContact CB-CG 4.39Å; L113-L115 PolarHBondContact O-N 3.5Å
114G89.6Confident91.9Very high32 Ų3272.4 Ų72.433%0.3341%0.41SS..THydrogen-bonded Turntrans80.67.1179.700000115G110 S111 V112 N116 V117G110-G114 PolarHBondContact O-N 3.27Å; S111-G114 PolarHBondContact O-N 2.88Å; V112-G114 PolarHBondContact O-N 3.39Å; G114-N116 VanDerWaalsContact C-OD1 3.23Å; G114-N116 VanDerWaalsContact CA-OD1 3.25Å; G114-N116 WeakPolarHBondContact CA-OD1 3.32Å; G114-N116 PolarHBondContact O-N 3.4Å; G114-N116 PolarHBondContact O-OD1 2.83Å; G114-V117 WeakPolarHBondContact O-CB 3.35Å; G114-V117 WeakPolarHBondContact O-CG2 3.31Å; G114-V117 PolarHBondContact O-N 2.97Å; G114-V117 VanDerWaalsContact O-N 3.12Å
115L89.5Confident91.7Very high93 Ų9375.5 Ų75.549%0.48743%0.431SS..G310 helixtrans-65.1-18177.1-60.2178.2000112.4G110 L113 V117 L118 A119G110-L115 WeakPolarHBondContact O-CB 3.24Å; G110-L115 PolarHBondContact O-N 3.39Å; L113-L115 VanDerWaalsContact C-N 3.33Å; L113-L115 HydrophobicContact CB-CG 4.39Å; L113-L115 PolarHBondContact O-N 3.5Å; L115-V117 PolarHBondContact O-N 3.34Å; L115-L118 HydrophobicContact CD2-CD1 3.76Å; L115-L118 WeakPolarHBondContact O-CB 3.48Å; L115-L118 PolarHBondContact O-N 3.26Å; L115-A119 PolarHBondContact O-N 2.97Å
116N83.9Confident91.7Very high19 Ų1969.5 Ų69.510%0.10241%0.41CS..G310 helixtrans-60.3-26.817364.7-59.4000112.7S111 G114 L118 A119 N120 V121 F123S111-N116 PolarHBondContact O-OD1 3.44Å; G114-N116 VanDerWaalsContact C-OD1 3.23Å; G114-N116 VanDerWaalsContact CA-OD1 3.25Å; G114-N116 WeakPolarHBondContact CA-OD1 3.32Å; G114-N116 PolarHBondContact O-N 3.4Å; G114-N116 PolarHBondContact O-OD1 2.83Å; N116-L118 VanDerWaalsContact C-N 3.31Å; N116-L118 PolarHBondContact O-N 3.32Å; N116-A119 CarbonylContact O-C 3.39Å; N116-A119 PolarHBondContact O-N 3.43Å; N116-N120 PolarHBondContact O-N 3.11Å; N116-N120 VanDerWaalsContact O-N 3.13Å; N116-V121 CarbonylContact C-O 3.57Å; N116-V121 WeakPolarHBondContact CB-O 3.43Å; N116-V121 PolarHBondContact ND2-O 3.46Å; N116-V121 PolarHBondContact O-N 3.46Å; N116-F123 VanDerWaalsContact ND2-CA 3.27Å; N116-F123 WeakPolarHBondContact ND2-CA 3.11Å; N116-F123 PolarHBondContact ND2-N 3.09Å; N116-F123 VanDerWaalsContact ND2-N 3.17Å
117V83.3Confident91.7Very high108 Ų10869 Ų6966%0.65540%0.4SS*.G310 helixtrans-64.3-37.6173.3-178.60000110.9G114 L115 A119 N120G114-V117 WeakPolarHBondContact O-CB 3.35Å; G114-V117 WeakPolarHBondContact O-CG2 3.31Å; G114-V117 PolarHBondContact O-N 2.97Å; G114-V117 VanDerWaalsContact O-N 3.12Å; L115-V117 PolarHBondContact O-N 3.34Å; V117-A119 VanDerWaalsContact C-N 3.32Å; V117-A119 PolarHBondContact O-N 3.25Å; V117-N120 PolarHBondContact O-N 2.9Å; V117-N120 VanDerWaalsContact O-N 3.13Å
118L88.7Confident91.6Very high148 Ų14870.8 Ų70.878%0.77541%0.408SS*.THydrogen-bonded Turntrans-67-34.8176.6-59.8171.3000112L115 N116 N120L115-L118 HydrophobicContact CD2-CD1 3.76Å; L115-L118 WeakPolarHBondContact O-CB 3.48Å; L115-L118 PolarHBondContact O-N 3.26Å; N116-L118 VanDerWaalsContact C-N 3.31Å; N116-L118 PolarHBondContact O-N 3.32Å; L118-N120 PolarHBondContact O-N 3.28Å
119A85Confident91.6Very high69 Ų6975.3 Ų75.357%0.5743%0.427SS*.THydrogen-bonded Turntrans-81.4-1.8175.700000113.2L115 N116 V117 V121L115-A119 PolarHBondContact O-N 2.97Å; N116-A119 CarbonylContact O-C 3.39Å; N116-A119 PolarHBondContact O-N 3.43Å; V117-A119 VanDerWaalsContact C-N 3.32Å; V117-A119 PolarHBondContact O-N 3.25Å; A119-V121 HydrophobicContact CB-CG2 4.04Å; A119-V121 WeakPolarHBondContact O-CG2 3.37Å; A119-V121 PolarHBondContact O-N 3Å
120N90.3Very high91.6Very high159 Ų15971.7 Ų71.785%0.8541%0.408SS*.THydrogen-bonded Turntrans56.434.5-174.5-137.71.3000113.1N116 V117 L118N116-N120 PolarHBondContact O-N 3.11Å; N116-N120 VanDerWaalsContact O-N 3.13Å; V117-N120 PolarHBondContact O-N 2.9Å; V117-N120 VanDerWaalsContact O-N 3.13Å; L118-N120 PolarHBondContact O-N 3.28Å
121V90Very high91.7Very high63 Ų6375 Ų7538%0.38242%0.422SS..  trans-111.3136.8179.8-178.30000109.5N116 A119N116-V121 CarbonylContact C-O 3.57Å; N116-V121 WeakPolarHBondContact CB-O 3.43Å; N116-V121 PolarHBondContact ND2-O 3.46Å; N116-V121 PolarHBondContact O-N 3.46Å; A119-V121 HydrophobicContact CB-CG2 4.04Å; A119-V121 WeakPolarHBondContact O-CG2 3.37Å; A119-V121 PolarHBondContact O-N 3Å
122S92Very high91.7Very high65 Ų6578.1 Ų78.146%0.45544%0.441SS..  trans-60.6146.417585.70000111.1Q124 S125 G126S122-Q124 PolarHBondContact O-N 3.1Å; S122-S125 PolarHBondContact O-N 3.41Å; S122-S125 WeakPolarHBondContact OG-CB 3.45Å; S122-S125 PolarHBondContact OG-N 3.16Å; S122-S125 VanDerWaalsContact OG-N 3.1Å; S122-S125 PolarHBondContact OG-OG 3.07Å; S122-G126 PolarHBondContact O-N 3.06Å
123F92.8Very high91.8Very high102 Ų10275 Ų7545%0.44742%0.42SS..Hα-helixtrans-54.1-44.7178.5173.6-98.9000111.6S111 N116 S125 G126 M127S111-F123 VanDerWaalsContact O-CD2 3.29Å; S111-F123 WeakPolarHBondContact O-CD2 3.24Å; S111-F123 WeakPolarHBondContact O-CE2 3.45Å; N116-F123 VanDerWaalsContact ND2-CA 3.27Å; N116-F123 WeakPolarHBondContact ND2-CA 3.11Å; N116-F123 PolarHBondContact ND2-N 3.09Å; N116-F123 VanDerWaalsContact ND2-N 3.17Å; F123-S125 PolarHBondContact O-N 3.48Å; F123-G126 PolarHBondContact O-N 3.47Å; F123-M127 HydrophobicContact CD1-CG 4.22Å; F123-M127 HydrophobicContact CD2-CG 4.25Å; F123-M127 HydrophobicContact CE1-CG 3.78Å; F123-M127 HydrophobicContact CE2-CG 3.81Å; F123-M127 HydrophobicContact CE2-SD 4.15Å; F123-M127 HydrophobicContact CG-CG 4.44Å; F123-M127 HydrophobicContact CZ-CG 3.56Å; F123-M127 HydrophobicContact CZ-SD 4.02Å; F123-M127 WeakPolarHBondContact O-CB 3.47Å; F123-M127 VanDerWaalsContact O-CG 3.31Å; F123-M127 WeakPolarHBondContact O-CG 3.37Å; F123-M127 PolarHBondContact O-N 2.91Å
124Q94Very high91.8Very high113 Ų11371.8 Ų71.853%0.52840%0.403SS..Hα-helixtrans-60.6-47.7179.3-173.561.533.200111.8S122 G126 M127 D128S122-Q124 PolarHBondContact O-N 3.1Å; Q124-G126 VanDerWaalsContact C-N 3.34Å; Q124-G126 PolarHBondContact O-N 3.23Å; Q124-M127 PolarHBondContact O-N 3.42Å; Q124-D128 PolarHBondContact NE2-OD1 3.38Å; Q124-D128 PolarHBondContact NE2-OD2 3.37Å; Q124-D128 WeakPolarHBondContact O-CB 3.29Å; Q124-D128 VanDerWaalsContact O-CG 3.25Å; Q124-D128 PolarHBondContact O-N 2.86Å
125S93.4Very high92Very high64 Ų6474 Ų7445%0.44840%0.404SS..Hα-helixtrans-64.3-38.6179.7-56.70000112.4S122 F123 F129S122-S125 PolarHBondContact O-N 3.41Å; S122-S125 WeakPolarHBondContact OG-CB 3.45Å; S122-S125 PolarHBondContact OG-N 3.16Å; S122-S125 VanDerWaalsContact OG-N 3.1Å; S122-S125 PolarHBondContact OG-OG 3.07Å; F123-S125 PolarHBondContact O-N 3.48Å; S125-F129 VanDerWaalsContact O-CB 3.32Å; S125-F129 WeakPolarHBondContact O-CB 3.4Å; S125-F129 PolarHBondContact O-N 3.46Å
126G93.2Very high92.2Very high7 Ų771.5 Ų71.57%0.07239%0.388CS..Hα-helixtrans-63.7-47.7175.400000112V107 S122 F123 Q124 F129 G130V107-G126 VanDerWaalsContact CG1-O 3.28Å; V107-G126 WeakPolarHBondContact CG1-O 3.39Å; S122-G126 PolarHBondContact O-N 3.06Å; F123-G126 PolarHBondContact O-N 3.47Å; Q124-G126 VanDerWaalsContact C-N 3.34Å; Q124-G126 PolarHBondContact O-N 3.23Å; G126-F129 PolarHBondContact O-N 2.82Å; G126-G130 PolarHBondContact O-N 2.88Å
127M95.2Very high92.7Very high35 Ų3570.6 Ų70.617%0.17238%0.383CS..Hα-helixtrans-60.7-48.8176.5-73.1-64.6-65.900112.1I108 V112 F123 Q124 F129 G130 I131I108-M127 HydrophobicContact CG2-CE 4.02Å; I108-M127 HydrophobicContact CG2-SD 4.01Å; V112-M127 HydrophobicContact CG2-SD 4.05Å; F123-M127 HydrophobicContact CD1-CG 4.22Å; F123-M127 HydrophobicContact CD2-CG 4.25Å; F123-M127 HydrophobicContact CE1-CG 3.78Å; F123-M127 HydrophobicContact CE2-CG 3.81Å; F123-M127 HydrophobicContact CE2-SD 4.15Å; F123-M127 HydrophobicContact CG-CG 4.44Å; F123-M127 HydrophobicContact CZ-CG 3.56Å; F123-M127 HydrophobicContact CZ-SD 4.02Å; F123-M127 WeakPolarHBondContact O-CB 3.47Å; F123-M127 VanDerWaalsContact O-CG 3.31Å; F123-M127 WeakPolarHBondContact O-CG 3.37Å; F123-M127 PolarHBondContact O-N 2.91Å; Q124-M127 PolarHBondContact O-N 3.42Å; M127-F129 PolarHBondContact O-N 2.85Å; M127-G130 PolarHBondContact O-N 3.27Å; M127-I131 HydrophobicContact CE-CD1 4.48Å; M127-I131 WeakPolarHBondContact O-CB 3.48Å; M127-I131 VanDerWaalsContact O-CG1 3.23Å; M127-I131 WeakPolarHBondContact O-CG1 3.47Å; M127-I131 PolarHBondContact O-N 3.39Å
128D94.9Very high93.2Very high78 Ų7866.2 Ų66.242%0.41736%0.356SS..Hα-helixtrans-61.2-44.3-179.7-71.5-24.4000111.4Q124 I131 V132Q124-D128 PolarHBondContact NE2-OD1 3.38Å; Q124-D128 PolarHBondContact NE2-OD2 3.37Å; Q124-D128 WeakPolarHBondContact O-CB 3.29Å; Q124-D128 VanDerWaalsContact O-CG 3.25Å; Q124-D128 PolarHBondContact O-N 2.86Å; D128-I131 PolarHBondContact O-N 3.05Å; D128-V132 VanDerWaalsContact O-CG2 3.24Å; D128-V132 WeakPolarHBondContact O-CG2 3.25Å; D128-V132 PolarHBondContact O-N 3.45Å
129F94.8Very high93.4Very high120 Ų12059.1 Ų59.153%0.52632%0.319SS..Hα-helixtrans-62.3-47176.4-179.3-109.4000111.8V107 S125 G126 M127 I131 V132 L133V107-F129 HydrophobicContact CG1-CD1 4.12Å; V107-F129 HydrophobicContact CG2-CD1 4.45Å; V107-F129 HydrophobicContact CG2-CE1 4.48Å; S125-F129 VanDerWaalsContact O-CB 3.32Å; S125-F129 WeakPolarHBondContact O-CB 3.4Å; S125-F129 PolarHBondContact O-N 3.46Å; G126-F129 PolarHBondContact O-N 2.82Å; M127-F129 PolarHBondContact O-N 2.85Å; F129-I131 PolarHBondContact O-N 3.44Å; F129-V132 PolarHBondContact O-N 2.91Å; F129-L133 HydrophobicContact CE1-CD1 4.18Å; F129-L133 HydrophobicContact CE2-CD1 3.97Å; F129-L133 HydrophobicContact CZ-CD1 3.66Å; F129-L133 PolarHBondContact O-N 2.92Å
130G96Very high93.9Very high0 Ų056.5 Ų56.50%030%0.295CS..Hα-helixtrans-61.6-42.5178.200000112.7G104 G126 M127 L133 M134G104-G130 WeakPolarHBondContact CA-O 3.33Å; G126-G130 PolarHBondContact O-N 2.88Å; M127-G130 PolarHBondContact O-N 3.27Å; G130-L133 PolarHBondContact O-N 3.28Å; G130-M134 VanDerWaalsContact O-CB 3.25Å; G130-M134 WeakPolarHBondContact O-CB 3.17Å; G130-M134 PolarHBondContact O-N 3.43Å
131I95.6Very high94Very high81 Ų8149.2 Ų49.242%0.41526%0.257SS..Hα-helixtrans-63.6-44.7176.6-70.4166.2000110.9I108 M127 D128 F129 M134 F135I108-I131 HydrophobicContact CD1-CG1 4Å; I108-I131 HydrophobicContact CG1-CG1 4.39Å; M127-I131 HydrophobicContact CE-CD1 4.48Å; M127-I131 WeakPolarHBondContact O-CB 3.48Å; M127-I131 VanDerWaalsContact O-CG1 3.23Å; M127-I131 WeakPolarHBondContact O-CG1 3.47Å; M127-I131 PolarHBondContact O-N 3.39Å; D128-I131 PolarHBondContact O-N 3.05Å; F129-I131 PolarHBondContact O-N 3.44Å; I131-M134 PolarHBondContact O-N 2.95Å; I131-F135 VanDerWaalsContact O-CB 3.29Å; I131-F135 WeakPolarHBondContact O-CB 3.28Å; I131-F135 PolarHBondContact O-N 3.09Å
132V95Very high94.1Very high70 Ų7046.2 Ų46.242%0.42424%0.239SC..Hα-helixtrans-62.8-44.5177.9171.90000111D128 F129 F135 Y136D128-V132 VanDerWaalsContact O-CG2 3.24Å; D128-V132 WeakPolarHBondContact O-CG2 3.25Å; D128-V132 PolarHBondContact O-N 3.45Å; F129-V132 PolarHBondContact O-N 2.91Å; V132-F135 PolarHBondContact O-N 3.43Å; V132-Y136 HydrophobicContact CG1-CE1 4.34Å; V132-Y136 HydrophobicContact CG1-CE2 4.17Å; V132-Y136 PolarHBondContact O-N 3.22Å
133L96.2Very high94.2Very high27 Ų2743.1 Ų43.114%0.14122%0.217CC..Hα-helixtrans-62.6-45.8178.5-136.691.9000111.4L100 V103 F129 G130 Y136 G137L100-L133 HydrophobicContact CD2-CD1 4.42Å; L100-L133 HydrophobicContact CD2-CD2 4.22Å; L100-L133 HydrophobicContact CD2-CG 4.02Å; L100-L133 WeakPolarHBondContact O-CD2 3.07Å; V103-L133 HydrophobicContact CB-CD2 3.62Å; V103-L133 HydrophobicContact CG1-CD2 3.47Å; V103-L133 VanDerWaalsContact CG1-CD2 3.47Å; F129-L133 HydrophobicContact CE1-CD1 4.18Å; F129-L133 HydrophobicContact CE2-CD1 3.97Å; F129-L133 HydrophobicContact CZ-CD1 3.66Å; F129-L133 PolarHBondContact O-N 2.92Å; G130-L133 PolarHBondContact O-N 3.28Å; L133-Y136 PolarHBondContact O-N 3.07Å; L133-G137 PolarHBondContact O-N 3.26Å
134M94.1Very high94.2Very high54 Ų5438.4 Ų38.427%0.26620%0.197SC..Hα-helixtrans-63.4-43177.9-172173.668.900110.9I108 G130 I131 Y136 G137 L138I108-M134 HydrophobicContact CD1-CB 4.34Å; I108-M134 HydrophobicContact CD1-CE 3.61Å; I108-M134 HydrophobicContact CD1-SD 3.84Å; G130-M134 VanDerWaalsContact O-CB 3.25Å; G130-M134 WeakPolarHBondContact O-CB 3.17Å; G130-M134 PolarHBondContact O-N 3.43Å; I131-M134 PolarHBondContact O-N 2.95Å; M134-Y136 VanDerWaalsContact C-N 3.35Å; M134-Y136 PolarHBondContact O-N 3.07Å; M134-G137 PolarHBondContact O-N 2.75Å; M134-L138 HydrophobicContact CG-CD1 3.78Å; M134-L138 HydrophobicContact CG-CG 4.2Å; M134-L138 WeakPolarHBondContact O-CB 3.27Å; M134-L138 VanDerWaalsContact O-CG 3.25Å; M134-L138 WeakPolarHBondContact O-CG 3.45Å; M134-L138 PolarHBondContact O-N 3.1Å; M134-L138 HydrophobicContact SD-CD1 4.48Å
135F93.9Very high94Very high79 Ų7935 Ų3535%0.34618%0.179SC..Hα-helixtrans-57.9-46.4175.1172.5-106.6000111.3F55 I131 V132 L138 Y139F55-F135 HydrophobicContact CD2-CE1 4.07Å; F55-F135 AromaticContact CE2-CE1 3.68Å; F55-F135 HydrophobicContact CE2-CE1 3.68Å; F55-F135 HydrophobicContact CE2-CZ 4.22Å; F55-F135 HydrophobicContact CZ-CE1 4.42Å; I131-F135 VanDerWaalsContact O-CB 3.29Å; I131-F135 WeakPolarHBondContact O-CB 3.28Å; I131-F135 PolarHBondContact O-N 3.09Å; V132-F135 PolarHBondContact O-N 3.43Å; F135-L138 PolarHBondContact O-N 2.94Å; F135-Y139 HydrophobicContact CZ-CG 4.25Å; F135-Y139 WeakPolarHBondContact O-CB 3.5Å; F135-Y139 PolarHBondContact O-N 3.17Å
136Y94.6Very high93.9Very high40 Ų4032 Ų3216%0.15716%0.158CC..Hα-helixtrans-61.9-47.4176.3-72.7-2.7000112.1F55 I58 V132 L133 M134 L138 F140F55-Y136 HydrophobicContact CD2-CD1 4.21Å; F55-Y136 AromaticContact CD2-CE1 3.53Å; F55-Y136 HydrophobicContact CD2-CE1 3.53Å; F55-Y136 HydrophobicContact CE2-CE1 4.27Å; F55-Y136 HydrophobicContact CG-CE1 4.49Å; I58-Y136 HydrophobicContact CD1-CD2 4.44Å; I58-Y136 HydrophobicContact CD1-CE2 3.74Å; V132-Y136 HydrophobicContact CG1-CE1 4.34Å; V132-Y136 HydrophobicContact CG1-CE2 4.17Å; V132-Y136 PolarHBondContact O-N 3.22Å; L133-Y136 PolarHBondContact O-N 3.07Å; M134-Y136 VanDerWaalsContact C-N 3.35Å; M134-Y136 PolarHBondContact O-N 3.07Å; Y136-L138 VanDerWaalsContact C-N 3.35Å; Y136-L138 PolarHBondContact O-N 3.44Å; Y136-F140 HydrophobicContact CD1-CE2 4.43Å; Y136-F140 HydrophobicContact CG-CE2 4.48Å; Y136-F140 WeakPolarHBondContact O-CB 3.23Å; Y136-F140 VanDerWaalsContact O-CD2 3.31Å; Y136-F140 WeakPolarHBondContact O-CD2 3.44Å; Y136-F140 PolarHBondContact O-N 3.36Å; Y136-F140 VanDerWaalsContact O-N 3.07Å
137G94.5Very high93.9Very high0 Ų032.5 Ų32.50%016%0.159CC..Hα-helixtrans-59-44.5178.600000112.8S97 L133 M134 G141S97-G137 WeakPolarHBondContact CB-O 3.38Å; S97-G137 WeakPolarHBondContact O-CA 3.4Å; L133-G137 PolarHBondContact O-N 3.26Å; M134-G137 PolarHBondContact O-N 2.75Å; G137-G141 WeakPolarHBondContact O-CA 3.09Å; G137-G141 PolarHBondContact O-N 3.22Å
138L92.9Very high93.7Very high16 Ų1631.2 Ų31.28%0.08415%0.154CC..Hα-helixtrans-74.6-47.7-179.3-62.6178.4000112.2M134 F135 Y136 G141 V142 Y245 F248 L249 I252M134-L138 HydrophobicContact CG-CD1 3.78Å; M134-L138 HydrophobicContact CG-CG 4.2Å; M134-L138 WeakPolarHBondContact O-CB 3.27Å; M134-L138 VanDerWaalsContact O-CG 3.25Å; M134-L138 WeakPolarHBondContact O-CG 3.45Å; M134-L138 PolarHBondContact O-N 3.1Å; M134-L138 HydrophobicContact SD-CD1 4.48Å; F135-L138 PolarHBondContact O-N 2.94Å; Y136-L138 VanDerWaalsContact C-N 3.35Å; Y136-L138 PolarHBondContact O-N 3.44Å; L138-G141 PolarHBondContact O-N 2.84Å; L138-V142 WeakPolarHBondContact O-CG2 3.31Å; L138-V142 PolarHBondContact O-N 3.47Å; L138-Y245 HydrophobicContact CD2-CE2 4.21Å; L138-F248 HydrophobicContact CD1-CE1 3.53Å; L138-F248 HydrophobicContact CD1-CZ 3.89Å; L138-F248 HydrophobicContact CD2-CD1 4.04Å; L138-F248 HydrophobicContact CD2-CE1 3.51Å; L138-F248 HydrophobicContact CG-CE1 4.14Å; L138-L249 HydrophobicContact CD2-CD2 4.22Å; L138-I252 HydrophobicContact CD1-CD1 4.11Å; L138-I252 HydrophobicContact CD1-CG1 4.29Å
139Y93.9Very high93.4Very high0 Ų029.4 Ų29.40%014%0.142CC..Hα-helixtrans-60.6-53.5-177.5171.4-109.5000112.3M39 P43 F55 W59 F135 G141 V142 L143 V256M39-Y139 HydrophobicContact CE-CD2 4.42Å; M39-Y139 WeakPolarHBondContact O-CE2 3.45Å; M39-Y139 PolarHBondContact O-OH 2.9Å; P43-Y139 HydrophobicContact CB-CE2 4.24Å; P43-Y139 HydrophobicContact CG-CD2 4.35Å; P43-Y139 HydrophobicContact CG-CE2 3.62Å; F55-Y139 AromaticContact CE2-CD1 3.87Å; F55-Y139 HydrophobicContact CE2-CD1 3.87Å; F55-Y139 AromaticContact CE2-CE1 3.79Å; F55-Y139 HydrophobicContact CE2-CE1 3.79Å; F55-Y139 HydrophobicContact CZ-CD1 4.05Å; F55-Y139 AromaticContact CZ-CE1 3.54Å; F55-Y139 HydrophobicContact CZ-CE1 3.54Å; F55-Y139 AromaticContact CZ-CZ 4Å; W59-Y139 AromaticContact CD1-CE1 3.93Å; W59-Y139 VanDerWaalsContact CD1-OH 3.23Å; W59-Y139 PolarHBondContact NE1-OH 3.33Å; W59-Y139 VanDerWaalsContact NE1-OH 3.09Å; F135-Y139 HydrophobicContact CZ-CG 4.25Å; F135-Y139 WeakPolarHBondContact O-CB 3.5Å; F135-Y139 PolarHBondContact O-N 3.17Å; Y139-G141 VanDerWaalsContact C-N 3.26Å; Y139-G141 PolarHBondContact O-N 3.1Å; Y139-V142 PolarHBondContact O-N 3.09Å; Y139-L143 HydrophobicContact CD1-CD1 4.44Å; Y139-L143 HydrophobicContact CE1-CD1 3.7Å; Y139-L143 HydrophobicContact CE2-CD1 3.93Å; Y139-L143 HydrophobicContact CE2-CG 4.22Å; Y139-L143 VanDerWaalsContact CZ-CD1 3.43Å; Y139-L143 PolarHBondContact O-N 2.82Å; Y139-L143 VanDerWaalsContact O-N 3.17Å; Y139-L143 WeakPolarHBondContact OH-CD1 3.2Å; Y139-V256 HydrophobicContact CD2-CG1 4.44Å
140F94.7Very high93.2Very high13 Ų1325.8 Ų25.86%0.05713%0.128CC..Hα-helixtrans-69-29177.3-69.9-67.6000111.5F55 I58 W59 F62 Y136 L143 N144F55-F140 HydrophobicContact CE2-CE2 4.48Å; F55-F140 HydrophobicContact CE2-CZ 4.35Å; I58-F140 HydrophobicContact CG2-CE2 3.79Å; I58-F140 HydrophobicContact CG2-CZ 3.75Å; W59-F140 HydrophobicContact CB-CZ 4.45Å; F62-F140 HydrophobicContact CB-CD1 4.12Å; F62-F140 HydrophobicContact CB-CE1 3.74Å; F62-F140 AromaticContact CD1-CD1 3.63Å; F62-F140 HydrophobicContact CD1-CD1 3.63Å; F62-F140 AromaticContact CD1-CE1 3.76Å; F62-F140 HydrophobicContact CD1-CE1 3.76Å; F62-F140 AromaticContact CD2-CD1 3.92Å; F62-F140 HydrophobicContact CD2-CD1 3.92Å; F62-F140 HydrophobicContact CD2-CE1 4.42Å; F62-F140 AromaticContact CE1-CD1 3.98Å; F62-F140 HydrophobicContact CE1-CD1 3.98Å; F62-F140 HydrophobicContact CE2-CD1 4.24Å; F62-F140 AromaticContact CG-CD1 3.59Å; F62-F140 HydrophobicContact CG-CD1 3.59Å; F62-F140 AromaticContact CG-CE1 3.7Å; F62-F140 HydrophobicContact CG-CE1 3.7Å; F62-F140 HydrophobicContact CZ-CD1 4.27Å; Y136-F140 HydrophobicContact CD1-CE2 4.43Å; Y136-F140 HydrophobicContact CG-CE2 4.48Å; Y136-F140 WeakPolarHBondContact O-CB 3.23Å; Y136-F140 VanDerWaalsContact O-CD2 3.31Å; Y136-F140 WeakPolarHBondContact O-CD2 3.44Å; Y136-F140 PolarHBondContact O-N 3.36Å; Y136-F140 VanDerWaalsContact O-N 3.07Å; F140-L143 HydrophobicContact CD1-CD1 4.45Å; F140-L143 PolarHBondContact O-N 3.27Å; F140-N144 WeakPolarHBondContact O-CB 3.22Å; F140-N144 PolarHBondContact O-N 3.34Å
141G92.9Very high93Very high6 Ų625.9 Ų25.96%0.06213%0.129CC..Hα-helixtrans-59.3-47.4171.300000113.1S97 G137 L138 Y139 R145S97-G141 PolarHBondContact OG-N 3.42Å; G137-G141 WeakPolarHBondContact O-CA 3.09Å; G137-G141 PolarHBondContact O-N 3.22Å; L138-G141 PolarHBondContact O-N 2.84Å; Y139-G141 VanDerWaalsContact C-N 3.26Å; Y139-G141 PolarHBondContact O-N 3.1Å; G141-R145 WeakPolarHBondContact O-CB 3.44Å; G141-R145 PolarHBondContact O-N 3.19Å; G141-R145 VanDerWaalsContact O-N 3.1Å
142V92.1Very high92.7Very high0 Ų022 Ų220%011%0.109CC..Hα-helixtrans-63.7-49.5176.5-174.20000110.9M39 L138 Y139 N144 R145 D146 L249 I252 R253M39-V142 HydrophobicContact CE-CB 3.54Å; M39-V142 HydrophobicContact CE-CG1 3.45Å; M39-V142 VanDerWaalsContact CE-CG1 3.45Å; M39-V142 HydrophobicContact CE-CG2 4.03Å; M39-V142 HydrophobicContact SD-CB 4.22Å; M39-V142 HydrophobicContact SD-CG1 3.42Å; M39-V142 WeakPolarHBondContact SD-CG1 3.34Å; L138-V142 WeakPolarHBondContact O-CG2 3.31Å; L138-V142 PolarHBondContact O-N 3.47Å; Y139-V142 PolarHBondContact O-N 3.09Å; V142-N144 PolarHBondContact O-N 3.18Å; V142-R145 PolarHBondContact O-N 2.98Å; V142-D146 PolarHBondContact O-N 3.27Å; V142-D146 VanDerWaalsContact O-N 3.07Å; V142-L249 HydrophobicContact CG2-CB 3.89Å; V142-L249 HydrophobicContact CG2-CD2 3.59Å; V142-L249 HydrophobicContact CG2-CG 4.2Å; V142-L249 WeakPolarHBondContact CG2-O 3.17Å; V142-I252 HydrophobicContact CG2-CB 4.23Å; V142-I252 HydrophobicContact CG2-CG2 4.05Å; V142-R253 HydrophobicContact CG1-CB 4.27Å
143L93.8Very high92.3Very high0 Ų021.4 Ų21.40%011%0.108CC..Hα-helixtrans-58.6-47.8179.8-74.7-177.4000111.5L36 M39 W40 F62 Y139 F140 R145 D146 F147L36-L143 HydrophobicContact CD1-CD2 3.53Å; M39-L143 HydrophobicContact CB-CD2 4.03Å; W40-L143 HydrophobicContact CB-CD2 4.4Å; F62-L143 HydrophobicContact CE1-CB 4.01Å; F62-L143 HydrophobicContact CE1-CD1 4.12Å; F62-L143 HydrophobicContact CZ-CB 4.3Å; Y139-L143 HydrophobicContact CD1-CD1 4.44Å; Y139-L143 HydrophobicContact CE1-CD1 3.7Å; Y139-L143 HydrophobicContact CE2-CD1 3.93Å; Y139-L143 HydrophobicContact CE2-CG 4.22Å; Y139-L143 VanDerWaalsContact CZ-CD1 3.43Å; Y139-L143 PolarHBondContact O-N 2.82Å; Y139-L143 VanDerWaalsContact O-N 3.17Å; Y139-L143 WeakPolarHBondContact OH-CD1 3.2Å; F140-L143 HydrophobicContact CD1-CD1 4.45Å; F140-L143 PolarHBondContact O-N 3.27Å; L143-R145 VanDerWaalsContact C-N 3.29Å; L143-R145 PolarHBondContact O-N 2.88Å; L143-D146 PolarHBondContact O-N 3.25Å; L143-F147 HydrophobicContact CB-CD2 4.45Å; L143-F147 WeakPolarHBondContact O-CD2 3.46Å; L143-F147 PolarHBondContact O-N 3.36Å
144N92.7Very high91.9Very high4 Ų421.7 Ų21.72%0.02111%0.11CC..Hα-helixtrans-57.9-43179.6-175.271.4000111.7F62 F90 S93 H94 F140 V142 A148F62-N144 HydrophobicContact CZ-CB 4.32Å; F90-N144 VanDerWaalsContact CD1-OD1 3.27Å; F90-N144 WeakPolarHBondContact CD1-OD1 3.34Å; F90-N144 PolarHBondContact O-ND2 3.24Å; F90-N144 VanDerWaalsContact O-ND2 3.08Å; S93-N144 WeakPolarHBondContact CB-OD1 3.25Å; H94-N144 PolarHBondContact N-ND2 3.25Å; F140-N144 WeakPolarHBondContact O-CB 3.22Å; F140-N144 PolarHBondContact O-N 3.34Å; V142-N144 PolarHBondContact O-N 3.18Å; N144-A148 WeakPolarHBondContact O-CB 3.04Å; N144-A148 PolarHBondContact O-N 3.36Å
145R89.9Confident91.6Very high40 Ų4019.1 Ų19.115%0.15110%0.098CC..Hα-helixtrans-63.2-44.1177.5-174.9-17668167.8-3.2112.2G141 V142 L143 A148 E149 G246 D250G141-R145 WeakPolarHBondContact O-CB 3.44Å; G141-R145 PolarHBondContact O-N 3.19Å; G141-R145 VanDerWaalsContact O-N 3.1Å; V142-R145 PolarHBondContact O-N 2.98Å; L143-R145 VanDerWaalsContact C-N 3.29Å; L143-R145 PolarHBondContact O-N 2.88Å; R145-A148 PolarHBondContact O-N 3.45Å; R145-E149 PolarHBondContact O-N 3Å; R145-E149 VanDerWaalsContact O-N 3.09Å; R145-G246 PolarHBondContact NH1-O 3.2Å; R145-D250 IonicContact CZ-OD1 3.75Å; R145-D250 IonicContact NH1-OD1 2.7Å; R145-D250 PolarHBondContact NH1-OD1 3.4Å; R145-D250 IonicContact NH2-OD1 3.29Å; R145-D250 PolarHBondContact NH2-OD1 2.88Å
146D90.3Very high91.2Very high1 Ų116.4 Ų16.41%0.0059%0.09CC..Hα-helixtrans-69.7-41.7-178.7-75-18.9000111.8L36 V142 L143 E149 I150 R253L36-D146 HydrophobicContact CD1-CB 3.99Å; L36-D146 HydrophobicContact CD2-CB 4.44Å; V142-D146 PolarHBondContact O-N 3.27Å; V142-D146 VanDerWaalsContact O-N 3.07Å; L143-D146 PolarHBondContact O-N 3.25Å; D146-E149 PolarHBondContact O-N 3.34Å; D146-I150 WeakPolarHBondContact O-CG1 3.02Å; D146-I150 PolarHBondContact O-N 2.99Å; D146-I150 VanDerWaalsContact O-N 3.1Å; D146-R253 IonicContact OD1-CZ 3.91Å; D146-R253 IonicContact OD1-NH2 3.75Å; D146-R253 PolarHBondContact OD1-NH2 3.35Å; D146-R253 IonicContact OD2-CZ 3.53Å; D146-R253 IonicContact OD2-NE 2.67Å; D146-R253 PolarHBondContact OD2-NE 2.98Å; D146-R253 IonicContact OD2-NH2 3.44Å; D146-R253 PolarHBondContact OD2-NH2 3.39Å
147F93.8Very high90.7Very high19 Ų1918.7 Ų18.78%0.08311%0.112CC..Hα-helixtrans-64.9-38.9173.1-80.1-66.2000112.7L36 T66 V70 F90 L143 I150 C151L36-F147 HydrophobicContact CD1-CD2 4.18Å; L36-F147 HydrophobicContact CD1-CE2 3.85Å; L36-F147 HydrophobicContact CD1-CZ 4.14Å; L36-F147 HydrophobicContact CD2-CD1 4.1Å; L36-F147 HydrophobicContact CD2-CE1 3.9Å; L36-F147 HydrophobicContact CD2-CE2 4.44Å; L36-F147 HydrophobicContact CD2-CG 4.46Å; L36-F147 HydrophobicContact CD2-CZ 4.08Å; L36-F147 HydrophobicContact CG-CZ 4.37Å; T66-F147 HydrophobicContact CG2-CB 3.85Å; T66-F147 HydrophobicContact CG2-CD1 3.9Å; T66-F147 HydrophobicContact CG2-CD2 3.61Å; T66-F147 HydrophobicContact CG2-CE1 4.33Å; T66-F147 HydrophobicContact CG2-CE2 4.08Å; T66-F147 HydrophobicContact CG2-CG 3.52Å; T66-F147 HydrophobicContact CG2-CZ 4.42Å; V70-F147 HydrophobicContact CG2-CD1 3.74Å; V70-F147 HydrophobicContact CG2-CE1 4.25Å; F90-F147 HydrophobicContact CE1-CB 3.65Å; F90-F147 HydrophobicContact CZ-CB 3.91Å; L143-F147 HydrophobicContact CB-CD2 4.45Å; L143-F147 WeakPolarHBondContact O-CD2 3.46Å; L143-F147 PolarHBondContact O-N 3.36Å; F147-I150 PolarHBondContact O-N 3.43Å; F147-C151 WeakPolarHBondContact O-CB 3.28Å; F147-C151 PolarHBondContact O-N 3.17Å; F147-C151 PolarHBondContact O-SG 2.96Å
148A92.1Very high90Very high8 Ų822.2 Ų22.27%0.06613%0.128CC..Hα-helixtrans-59.2-47.2176.400000111.7F90 N144 R145 C151 A152 V215F90-A148 HydrophobicContact CB-CB 4.18Å; F90-A148 HydrophobicContact CD1-CB 3.65Å; F90-A148 HydrophobicContact CD2-CB 4.12Å; F90-A148 HydrophobicContact CE1-CB 4.07Å; F90-A148 HydrophobicContact CE2-CB 4.45Å; F90-A148 HydrophobicContact CG-CB 3.73Å; F90-A148 HydrophobicContact CZ-CB 4.45Å; N144-A148 WeakPolarHBondContact O-CB 3.04Å; N144-A148 PolarHBondContact O-N 3.36Å; R145-A148 PolarHBondContact O-N 3.45Å; A148-C151 PolarHBondContact O-N 3.05Å; A148-A152 VanDerWaalsContact O-CB 3.24Å; A148-A152 WeakPolarHBondContact O-CB 3.47Å; A148-A152 PolarHBondContact O-N 2.91Å; A148-V215 HydrophobicContact CB-CG1 3.69Å
149E88.5Confident89.4Confident39 Ų3922.3 Ų22.318%0.18213%0.129CC..Hα-helixtrans-64.7-43.7179.8-170167.3159.300111.5R145 D146 S153 K217R145-E149 PolarHBondContact O-N 3Å; R145-E149 VanDerWaalsContact O-N 3.09Å; D146-E149 PolarHBondContact O-N 3.34Å; E149-S153 WeakPolarHBondContact O-CB 3.31Å; E149-S153 PolarHBondContact O-N 2.86Å; E149-S153 PolarHBondContact O-OG 3.46Å; E149-K217 IonicContact OE2-NZ 3.43Å; E149-K217 PolarHBondContact OE2-NZ 2.93Å
150I90.4Very high88.4Confident45 Ų4523.9 Ų23.923%0.23115%0.145CC..Hα-helixtrans-60.4-53174.7-67.7167.9000110.3L36 D146 F147 A152 S153 T154L36-I150 HydrophobicContact CD2-CD1 3.45Å; L36-I150 VanDerWaalsContact CD2-CD1 3.45Å; D146-I150 WeakPolarHBondContact O-CG1 3.02Å; D146-I150 PolarHBondContact O-N 2.99Å; D146-I150 VanDerWaalsContact O-N 3.1Å; F147-I150 PolarHBondContact O-N 3.43Å; I150-A152 VanDerWaalsContact C-N 3.34Å; I150-A152 PolarHBondContact O-N 3.29Å; I150-S153 PolarHBondContact O-N 2.8Å; I150-S153 PolarHBondContact O-OG 3.32Å; I150-T154 PolarHBondContact O-N 3.46Å; I150-T154 PolarHBondContact O-OG1 2.91Å; I150-T154 VanDerWaalsContact O-OG1 3.05Å
151C91.9Very high87.3Confident2 Ų224.6 Ų24.61%0.01415%0.148CC..Hα-helixtrans-59.7-44.2-178.3-69.80000112.1V70 A73 I86 F90 F147 A148 T154 M155V70-C151 WeakPolarHBondContact CG2-SG 3.26Å; A73-C151 HydrophobicContact CB-CB 4.01Å; I86-C151 HydrophobicContact CG2-CB 4.26Å; F90-C151 HydrophobicContact CE2-CB 3.69Å; F90-C151 HydrophobicContact CZ-CB 4.13Å; F147-C151 WeakPolarHBondContact O-CB 3.28Å; F147-C151 PolarHBondContact O-N 3.17Å; F147-C151 PolarHBondContact O-SG 2.96Å; A148-C151 PolarHBondContact O-N 3.05Å; C151-T154 PolarHBondContact O-N 3.29Å; C151-M155 WeakPolarHBondContact O-CG 3.44Å; C151-M155 PolarHBondContact O-N 2.82Å
152A88.5Confident85.9Confident0 Ų026.4 Ų26.40%015%0.154CC..Hα-helixtrans-66.2-39.4179.200000112.3A148 I150 M155 A156A148-A152 VanDerWaalsContact O-CB 3.24Å; A148-A152 WeakPolarHBondContact O-CB 3.47Å; A148-A152 PolarHBondContact O-N 2.91Å; I150-A152 VanDerWaalsContact C-N 3.34Å; I150-A152 PolarHBondContact O-N 3.29Å; A152-M155 HydrophobicContact CB-CE 4.44Å; A152-M155 PolarHBondContact O-N 3.08Å; A152-A156 VanDerWaalsContact O-CB 3.26Å; A152-A156 WeakPolarHBondContact O-CB 3.28Å; A152-A156 PolarHBondContact O-N 3.45Å
153S87Confident84.8Confident56 Ų5628.6 Ų28.639%0.39217%0.165SC..Hα-helixtrans-64.9-40.317576.50000112.3E149 I150 A156 S157E149-S153 WeakPolarHBondContact O-CB 3.31Å; E149-S153 PolarHBondContact O-N 2.86Å; E149-S153 PolarHBondContact O-OG 3.46Å; I150-S153 PolarHBondContact O-N 2.8Å; I150-S153 PolarHBondContact O-OG 3.32Å; S153-A156 PolarHBondContact O-N 2.87Å; S153-S157 PolarHBondContact O-N 3.07Å
154T88.4Confident83.3Confident33 Ų3340.6 Ų40.620%0.20221%0.211CC..Hα-helixtrans-63.7-49.5175.6-58.90000110.4I150 C151 A156 S157 H158I150-T154 PolarHBondContact O-N 3.46Å; I150-T154 PolarHBondContact O-OG1 2.91Å; I150-T154 VanDerWaalsContact O-OG1 3.05Å; C151-T154 PolarHBondContact O-N 3.29Å; T154-A156 VanDerWaalsContact C-N 3.34Å; T154-A156 PolarHBondContact O-N 2.97Å; T154-S157 PolarHBondContact O-N 2.9Å; T154-S157 VanDerWaalsContact O-N 3.16Å; T154-S157 PolarHBondContact O-OG 3.4Å; T154-H158 PolarHBondContact O-CD2 2.72Å; T154-H158 PolarHBondContact O-N 2.93Å
155M87.6Confident82.1Confident0 Ų047.8 Ų47.80%024%0.244CC..Hα-helixtrans-58.1-45.2175.9-72.5-169.5-62.700112.2A73 I78 P83 I86 Y87 C151 A152 S157 H158 I159A73-M155 HydrophobicContact CB-CG 4.22Å; I78-M155 HydrophobicContact CD1-CB 4.26Å; I78-M155 HydrophobicContact CD1-CG 4.09Å; P83-M155 HydrophobicContact CB-SD 4.26Å; P83-M155 HydrophobicContact CG-SD 4.49Å; I86-M155 HydrophobicContact CB-CE 4.39Å; I86-M155 HydrophobicContact CB-SD 4.32Å; I86-M155 HydrophobicContact CD1-CE 4.29Å; I86-M155 HydrophobicContact CD1-CG 4.15Å; I86-M155 HydrophobicContact CD1-SD 3.3Å; I86-M155 WeakPolarHBondContact CD1-SD 3.4Å; I86-M155 HydrophobicContact CG1-SD 4.39Å; I86-M155 HydrophobicContact CG2-CE 3.8Å; I86-M155 HydrophobicContact CG2-SD 4.24Å; Y87-M155 HydrophobicContact CD1-CE 4.33Å; Y87-M155 HydrophobicContact CE1-CE 3.51Å; C151-M155 WeakPolarHBondContact O-CG 3.44Å; C151-M155 PolarHBondContact O-N 2.82Å; A152-M155 HydrophobicContact CB-CE 4.44Å; A152-M155 PolarHBondContact O-N 3.08Å; M155-S157 PolarHBondContact O-N 3.08Å; M155-H158 PolarHBondContact O-N 3.34Å; M155-H158 VanDerWaalsContact O-N 3.08Å; M155-I159 WeakPolarHBondContact O-CG1 3.4Å; M155-I159 PolarHBondContact O-N 2.96Å
156A84.9Confident80.9Confident23 Ų2348.1 Ų48.119%0.1926%0.26CS..Hα-helixtrans-58.4-38.4178.300000112.4A152 S153 T154 H158 G160 W212A152-A156 VanDerWaalsContact O-CB 3.26Å; A152-A156 WeakPolarHBondContact O-CB 3.28Å; A152-A156 PolarHBondContact O-N 3.45Å; S153-A156 PolarHBondContact O-N 2.87Å; T154-A156 VanDerWaalsContact C-N 3.34Å; T154-A156 PolarHBondContact O-N 2.97Å; A156-H158 VanDerWaalsContact C-N 3.31Å; A156-H158 PolarHBondContact O-N 3.32Å; A156-G160 PolarHBondContact O-N 3.38Å; A156-W212 HydrophobicContact CB-CH2 3.25Å; A156-W212 HydrophobicContact CB-CZ2 4.2Å; A156-W212 HydrophobicContact CB-CZ3 3.57Å
157S83.4Confident79.7Confident87 Ų8753 Ų5361%0.60829%0.286SS*.Hα-helixtrans-67.4-30.9177.377.70000113.3S153 T154 M155S153-S157 PolarHBondContact O-N 3.07Å; T154-S157 PolarHBondContact O-N 2.9Å; T154-S157 VanDerWaalsContact O-N 3.16Å; T154-S157 PolarHBondContact O-OG 3.4Å; M155-S157 PolarHBondContact O-N 3.08Å
158H81Confident78.4Confident74 Ų7455.9 Ų55.934%0.34331%0.306SS..Hα-helixtrans-82.1-30.8178.1-70.5-58.7000113.4I78 T154 M155 A156I78-H158 HydrophobicContact CD1-CB 3.73Å; I78-H158 HydrophobicContact CG1-CB 4.44Å; T154-H158 PolarHBondContact O-CD2 2.72Å; T154-H158 PolarHBondContact O-N 2.93Å; M155-H158 PolarHBondContact O-N 3.34Å; M155-H158 VanDerWaalsContact O-N 3.08Å; A156-H158 VanDerWaalsContact C-N 3.31Å; A156-H158 PolarHBondContact O-N 3.32Å
159I79.5Confident77.2Confident18 Ų1859.4 Ų59.49%0.09233%0.33CS..Hα-helixtrans-73.8-31.3179.6-70.3165.4000111.8M155 Y161 A178 W212M155-I159 WeakPolarHBondContact O-CG1 3.4Å; M155-I159 PolarHBondContact O-N 2.96Å; I159-Y161 HydrophobicContact CG2-CD2 4.01Å; I159-Y161 HydrophobicContact CG2-CE2 3.4Å; I159-Y161 VanDerWaalsContact CG2-CE2 3.4Å; I159-Y161 WeakPolarHBondContact O-CD2 3.34Å; I159-Y161 WeakPolarHBondContact O-CE2 3.18Å; I159-Y161 PolarHBondContact O-N 3.46Å; I159-Y161 VanDerWaalsContact O-N 3.13Å; I159-A178 VanDerWaalsContact CG2-O 3.26Å; I159-A178 WeakPolarHBondContact CG2-O 3.48Å; I159-W212 HydrophobicContact CD1-CZ3 4.12Å
160G72.7Confident76.2Confident34 Ų3465.8 Ų65.835%0.35135%0.352SS..  trans-36.8111.3-168.100000115.9A156A156-G160 PolarHBondContact O-N 3.38Å
161Y71.9Confident75.4Confident28 Ų2869.8 Ų69.811%0.1138%0.379CS..  trans-82.4-18.5-179.6-68.5-87.2000113.9I159 C169 R170 L172 A178 Y223I159-Y161 HydrophobicContact CG2-CD2 4.01Å; I159-Y161 HydrophobicContact CG2-CE2 3.4Å; I159-Y161 VanDerWaalsContact CG2-CE2 3.4Å; I159-Y161 WeakPolarHBondContact O-CD2 3.34Å; I159-Y161 WeakPolarHBondContact O-CE2 3.18Å; I159-Y161 PolarHBondContact O-N 3.46Å; I159-Y161 VanDerWaalsContact O-N 3.13Å; Y161-C169 PolarHBondContact O-N 3.47Å; Y161-R170 HydrophobicContact CD1-CB 3.87Å; Y161-R170 HydrophobicContact CE1-CB 4.34Å; Y161-L172 HydrophobicContact CE1-CB 4.44Å; Y161-L172 HydrophobicContact CE1-CD1 3.94Å; Y161-L172 WeakPolarHBondContact OH-CD1 3.26Å; Y161-A178 HydrophobicContact CD2-CB 4.46Å; Y161-A178 HydrophobicContact CE2-CB 3.58Å; Y161-A178 WeakPolarHBondContact OH-CA 3.33Å; Y161-A178 PolarHBondContact OH-O 2.94Å; Y161-A178 VanDerWaalsContact OH-O 3.12Å; Y161-Y223 HydrophobicContact CD1-CD2 4.12Å; Y161-Y223 HydrophobicContact CD1-CE2 4.18Å; Y161-Y223 AromaticContact CD2-CD2 3.97Å; Y161-Y223 HydrophobicContact CD2-CD2 3.97Å; Y161-Y223 HydrophobicContact CE2-CD2 4.49Å; Y161-Y223 AromaticContact CG-CD2 3.78Å; Y161-Y223 HydrophobicContact CG-CD2 3.78Å; Y161-Y223 HydrophobicContact CG-CE2 4.17Å
162F64.5Low74.6Confident44 Ų4471.7 Ų71.719%0.19339%0.389CS..BIsolated β-bridgetrans-123.3136.9-176.6-65.3-89.1000110.5G166 L167 P168 Y223 R225F162-G166 WeakPolarHBondContact CD1-O 2.97Å; F162-L167 WeakPolarHBondContact CA-O 3.43Å; F162-P168 HydrophobicContact CD1-CB 4.14Å; F162-P168 HydrophobicContact CE1-CB 3.78Å; F162-P168 HydrophobicContact CZ-CB 4.46Å; F162-Y223 WeakPolarHBondContact CD2-O 3.46Å; F162-Y223 HydrophobicContact CE2-CD1 4.38Å; F162-Y223 HydrophobicContact CE2-CD2 4.36Å; F162-Y223 HydrophobicContact CE2-CE1 4.36Å; F162-Y223 HydrophobicContact CE2-CE2 4.29Å; F162-Y223 HydrophobicContact CE2-CG 4.42Å; F162-Y223 WeakPolarHBondContact CE2-O 3.37Å; F162-Y223 HydrophobicContact CZ-CE1 4.35Å; F162-R225 PolarHBondContact O-NH2 3.47Å
163N67.4Low74.1Confident45 Ų4579.1 Ų79.124%0.24142%0.423CS..  trans-71.3-176.7172.1751.6000111E165 G166 L167 R225N163-E165 PolarHBondContact ND2-OE2 3.41Å; N163-E165 PolarHBondContact O-N 3.45Å; N163-E165 WeakPolarHBondContact OD1-CA 3.21Å; N163-E165 WeakPolarHBondContact OD1-CB 3.43Å; N163-E165 PolarHBondContact OD1-N 2.88Å; N163-G166 PolarHBondContact O-N 2.9Å; N163-G166 PolarHBondContact OD1-N 3.23Å; N163-L167 PolarHBondContact N-O 2.74Å; N163-L167 PolarHBondContact OD1-N 3.21Å; N163-R225 PolarHBondContact O-NH1 3.16Å
164R62.6Low73.7Confident253 Ų25386 Ų8696%0.95545%0.449SS*.THydrogen-bonded Turntrans-68.9-21.9176.9-80.3-176.6163.6178.5-5113.4G166R164-G166 VanDerWaalsContact C-N 3.31Å
165E67.1Low73.5Confident154 Ų15486.3 Ų86.372%0.7246%0.459SS*.THydrogen-bonded Turntrans-86.9-1.5178.4-62.6139.7-16500112.4N163 L167N163-E165 PolarHBondContact ND2-OE2 3.41Å; N163-E165 PolarHBondContact O-N 3.45Å; N163-E165 WeakPolarHBondContact OD1-CA 3.21Å; N163-E165 WeakPolarHBondContact OD1-CB 3.43Å; N163-E165 PolarHBondContact OD1-N 2.88Å; E165-L167 VanDerWaalsContact C-N 3.32Å; E165-L167 HydrophobicContact CB-CD1 4.38Å
166G65.1Low73.5Confident47 Ų4787.5 Ų87.549%0.48547%0.466SS..SBendtrans81.27.2-178.800000114.5F162 N163 R164F162-G166 WeakPolarHBondContact CD1-O 2.97Å; N163-G166 PolarHBondContact O-N 2.9Å; N163-G166 PolarHBondContact OD1-N 3.23Å; R164-G166 VanDerWaalsContact C-N 3.31Å
167L64.9Low73.8Confident104 Ų10486.4 Ų86.455%0.54546%0.457SS..  trans-76.6133.7175-72.1157.4000110.3F162 N163 E165 C169F162-L167 WeakPolarHBondContact CA-O 3.43Å; N163-L167 PolarHBondContact N-O 2.74Å; N163-L167 PolarHBondContact OD1-N 3.21Å; E165-L167 VanDerWaalsContact C-N 3.32Å; E165-L167 HydrophobicContact CB-CD1 4.38Å; L167-C169 PolarHBondContact O-N 3.37Å
168P66.1Low74Confident79 Ų7982.3 Ų82.351%0.51343%0.429SS..BIsolated β-bridgetrans-68.9118.417626.7-31.4000109.8F162F162-P168 HydrophobicContact CD1-CB 4.14Å; F162-P168 HydrophobicContact CE1-CB 3.78Å; F162-P168 HydrophobicContact CZ-CB 4.46Å
169C67.2Low74.4Confident83 Ų8379 Ų7956%0.56141%0.414SS*.SBendtrans-86.6-21.2173.5-670000112.5Y161 L167Y161-C169 PolarHBondContact O-N 3.47Å; L167-C169 PolarHBondContact O-N 3.37Å
170R69Low74.9Confident173 Ų17378.4 Ų78.465%0.65341%0.411SS*.SBendtrans-147.4132.6179.5-67.9-171.6174.1174.9-1.9110.4Y161Y161-R170 HydrophobicContact CD1-CB 3.87Å; Y161-R170 HydrophobicContact CE1-CB 4.34Å
171T72.6Confident75.5Confident128 Ų12879.1 Ų79.179%0.78542%0.418SS*.PPolyproline II helixtrans-83.3136.3169.341.10000109.5
172L76.1Confident76.3Confident43 Ų4380.8 Ų80.823%0.22543%0.429CS..PPolyproline II helixtrans-93.9126.7175.5-173.175.4000107.7Y161 V176 A178 Y223Y161-L172 HydrophobicContact CE1-CB 4.44Å; Y161-L172 HydrophobicContact CE1-CD1 3.94Å; Y161-L172 WeakPolarHBondContact OH-CD1 3.26Å; L172-V176 HydrophobicContact CD1-CB 4.34Å; L172-V176 HydrophobicContact CD1-CG1 4.25Å; L172-V176 WeakPolarHBondContact CD2-O 3.27Å; L172-A178 HydrophobicContact CD1-CB 4Å; L172-A178 HydrophobicContact CD2-CB 3.71Å; L172-Y223 HydrophobicContact CB-CD2 4.01Å; L172-Y223 HydrophobicContact CB-CE2 3.58Å; L172-Y223 HydrophobicContact CD2-CD2 4.09Å; L172-Y223 HydrophobicContact CD2-CE2 4.4Å
173E78.1Confident77.4Confident155 Ų15582.2 Ų82.272%0.72445%0.449SS*.PPolyproline II helixtrans-63.7143.9173.4-72.7177.6178.600110.8G175 V176E173-G175 PolarHBondContact O-N 2.93Å; E173-V176 HydrophobicContact CB-CG2 3.88Å; E173-V176 PolarHBondContact O-N 2.79Å; E173-V176 VanDerWaalsContact O-N 3.15Å
174E78.1Confident78.3Confident201 Ų20180.8 Ų80.894%0.93944%0.441SS*.THydrogen-bonded Turntrans-60133.4178.1-70.4-170.8173.400110.6V176E174-V176 VanDerWaalsContact C-N 3.33Å
175G83.7Confident79Confident39 Ų3972.5 Ų72.540%0.40243%0.427SS..THydrogen-bonded Turntrans78.99-178.300000114.8E173 A183 I184E173-G175 PolarHBondContact O-N 2.93Å; G175-A183 CarbonylContact O-C 3.59Å; G175-A183 WeakPolarHBondContact O-CA 3.24Å; G175-I184 WeakPolarHBondContact O-CB 3.15Å; G175-I184 WeakPolarHBondContact O-CG1 3.42Å; G175-I184 PolarHBondContact O-N 3.33Å
176V88.4Confident78.8Confident26 Ų2671.6 Ų71.616%0.15843%0.427CS..BIsolated β-bridgetrans-99.2137.1172.6179.50000111.3L172 E173 E174 A178 G181L172-V176 HydrophobicContact CD1-CB 4.34Å; L172-V176 HydrophobicContact CD1-CG1 4.25Å; L172-V176 WeakPolarHBondContact CD2-O 3.27Å; E173-V176 HydrophobicContact CB-CG2 3.88Å; E173-V176 PolarHBondContact O-N 2.79Å; E173-V176 VanDerWaalsContact O-N 3.15Å; E174-V176 VanDerWaalsContact C-N 3.33Å; V176-A178 PolarHBondContact O-N 3.42Å; V176-G181 VanDerWaalsContact CG1-C 3.48Å; V176-G181 WeakPolarHBondContact CG1-O 3.36Å
177C90.4Very high78.3Confident0 Ų072 Ų720%043%0.431CS..  trans-77115.9177.2-178.50000111.1V179 C180 G181 N182 I184 H205C177-V179 PolarHBondContact O-N 3.22Å; C177-C180 PolarHBondContact O-N 2.89Å; C177-G181 WeakPolarHBondContact O-CA 3.2Å; C177-G181 PolarHBondContact O-N 3.38Å; C177-N182 PolarHBondContact N-O 3.06Å; C177-I184 HydrophobicContact CB-CD1 4.06Å; C177-I184 HydrophobicContact CB-CG1 3.87Å; C177-H205 VanDerWaalsContact CB-ND1 3.33Å; C177-H205 WeakPolarHBondContact CB-ND1 3.26Å
178A88.1Confident77.3Confident1 Ų173.9 Ų73.91%0.00844%0.442CS..THydrogen-bonded Turntrans-63.2-16.9-176.800000115.1I159 Y161 L172 V176 F204I159-A178 VanDerWaalsContact CG2-O 3.26Å; I159-A178 WeakPolarHBondContact CG2-O 3.48Å; Y161-A178 HydrophobicContact CD2-CB 4.46Å; Y161-A178 HydrophobicContact CE2-CB 3.58Å; Y161-A178 WeakPolarHBondContact OH-CA 3.33Å; Y161-A178 PolarHBondContact OH-O 2.94Å; Y161-A178 VanDerWaalsContact OH-O 3.12Å; L172-A178 HydrophobicContact CD1-CB 4Å; L172-A178 HydrophobicContact CD2-CB 3.71Å; V176-A178 PolarHBondContact O-N 3.42Å; A178-F204 HydrophobicContact CB-CE1 3.75Å
179V89.1Confident76.5Confident5 Ų578.8 Ų78.83%0.0346%0.458CS..THydrogen-bonded Turntrans-83.4-42.3178178.70000111.3P83 Y87 C177 F204 C208 P222P83-V179 HydrophobicContact CB-CG1 4.26Å; P83-V179 WeakPolarHBondContact CG-O 3.36Å; Y87-V179 HydrophobicContact CE2-CG1 4.07Å; C177-V179 PolarHBondContact O-N 3.22Å; V179-F204 HydrophobicContact CG2-CD1 4.1Å; V179-F204 HydrophobicContact CG2-CE1 4.4Å; V179-C208 HydrophobicContact CB-CB 3.96Å; V179-C208 HydrophobicContact CG1-CB 3.98Å; V179-P222 HydrophobicContact CG2-CB 4.03Å; V179-P222 HydrophobicContact CG2-CG 3.54Å
180C89.4Confident75.4Confident4 Ų482.7 Ų82.73%0.02747%0.473CS..THydrogen-bonded Turntrans-115.40.6-172.282.80000113.8G80 P83 C177 N182 H205G80-C180 CarbonylContact C-O 3.58Å; G80-C180 WeakPolarHBondContact CA-O 3.44Å; G80-C180 WeakPolarHBondContact O-CB 3.26Å; P83-C180 HydrophobicContact CG-CB 4.44Å; C177-C180 PolarHBondContact O-N 2.89Å; C180-N182 PolarHBondContact O-N 3.17Å; C180-N182 PolarHBondContact O-OD1 3.46Å; C180-H205 PolarHBondContact SG-ND1 2.97Å
181G85.5Confident74.6Confident49 Ų4979.9 Ų79.951%0.50548%0.48SS..  trans61.45.7178.100000116.3V176 C177V176-G181 VanDerWaalsContact CG1-C 3.48Å; V176-G181 WeakPolarHBondContact CG1-O 3.36Å; C177-G181 WeakPolarHBondContact O-CA 3.2Å; C177-G181 PolarHBondContact O-N 3.38Å
182N87.8Confident74.1Confident63 Ų6377.2 Ų77.234%0.33747%0.471SS..  trans-96.2151.2179-60.5-25.3000110.5G80 C177 C180G80-N182 PolarHBondContact O-ND2 3.39Å; C177-N182 PolarHBondContact N-O 3.06Å; C180-N182 PolarHBondContact O-N 3.17Å; C180-N182 PolarHBondContact O-OD1 3.46Å
183A88.4Confident74.2Confident75 Ų7578.6 Ų78.662%0.6248%0.476SS*.BIsolated β-bridgetrans-58.8140.5172.600000111.8G175 H205G175-A183 CarbonylContact O-C 3.59Å; G175-A183 WeakPolarHBondContact O-CA 3.24Å; A183-H205 PolarHBondContact O-CE1 2.94Å; A183-H205 PolarHBondContact O-NE2 2.86Å
184I86.9Confident74.6Confident15 Ų1578.4 Ų78.48%0.07747%0.473CS..  trans-92.9104.2174.9-57.8168.9000105.7G175 C177 N186 K195 V203G175-I184 WeakPolarHBondContact O-CB 3.15Å; G175-I184 WeakPolarHBondContact O-CG1 3.42Å; G175-I184 PolarHBondContact O-N 3.33Å; C177-I184 HydrophobicContact CB-CD1 4.06Å; C177-I184 HydrophobicContact CB-CG1 3.87Å; I184-N186 PolarHBondContact O-N 2.88Å; I184-K195 HydrophobicContact CG2-CB 4.23Å; I184-K195 HydrophobicContact CG2-CD 4.35Å; I184-V203 HydrophobicContact CD1-CB 4.33Å; I184-V203 HydrophobicContact CD1-CG1 4.23Å; I184-V203 WeakPolarHBondContact CD1-O 3.43Å; I184-V203 HydrophobicContact CG2-CG1 4.37Å
185A76.5Confident75.1Confident78 Ų7874.3 Ų74.365%0.64545%0.452SS*.  trans-58.8126.8-176.900000111.3G187A185-G187 PolarHBondContact O-N 3.05Å
186N63.6Low75.4Confident136 Ų13674.7 Ų74.773%0.72744%0.442SS*.  trans-89.676171.7-77.4-26.9000109.3I184I184-N186 PolarHBondContact O-N 2.88Å
187G53.4Low75.5Confident56 Ų5681.4 Ų81.458%0.57746%0.464SS*.SBendtrans100.93.4149.700000120.5A185A185-G187 PolarHBondContact O-N 3.05Å
188D45.8Very low75.5Confident143 Ų14381.8 Ų81.877%0.76547%0.467SS*.  trans-97.9137.1179.8-79.1-20.3000115.3N190D188-N190 PolarHBondContact O-N 3.44Å
189E49.2Very low75.5Confident182 Ų18285.4 Ų85.485%0.8549%0.488SS*.THydrogen-bonded Turntrans-78.21.9-144.4-67.3-179.6137.200117.6
190N43.8Very low75.5Confident164 Ų16485.8 Ų85.888%0.87749%0.491SS*.THydrogen-bonded Turntrans-101.10.8-167-101.9-12.3000117.1D188D188-N190 PolarHBondContact O-N 3.44Å
191S52.5Low75.5Confident114 Ų11489.7 Ų89.780%0.79752%0.515SS*.SBendtrans-175.349.816444.30000110.4E193S191-E193 VanDerWaalsContact C-N 3.32Å; S191-E193 PolarHBondContact O-N 2.81Å
192A61.4Low75.7Confident73 Ų7389.7 Ų89.760%0.60350%0.502SS*.  trans-61.990.1-172.700000111.6K194A192-K194 PolarHBondContact O-N 2.89Å
193E78.3Confident75.9Confident71 Ų7188.8 Ų88.833%0.33250%0.498SS..  trans-59.6122.5172.3-173.1176.9-173.600108.2R84 S191 K195 H205R84-E193 IonicContact CZ-OE1 3.22Å; R84-E193 IonicContact CZ-OE2 3.02Å; R84-E193 IonicContact NE-OE1 3.89Å; R84-E193 VanDerWaalsContact NH1-CD 3.26Å; R84-E193 IonicContact NH1-OE1 3.18Å; R84-E193 PolarHBondContact NH1-OE1 2.7Å; R84-E193 IonicContact NH1-OE2 2.68Å; R84-E193 PolarHBondContact NH1-OE2 2.87Å; R84-E193 VanDerWaalsContact NH2-CD 3.35Å; R84-E193 IonicContact NH2-OE1 3.29Å; R84-E193 PolarHBondContact NH2-OE1 2.88Å; R84-E193 IonicContact NH2-OE2 2.67Å; R84-E193 PolarHBondContact NH2-OE2 3.23Å; S191-E193 VanDerWaalsContact C-N 3.32Å; S191-E193 PolarHBondContact O-N 2.81Å; E193-K195 PolarHBondContact O-N 3.49Å; E193-H205 IonicContact OE1-CG 3.13Å; E193-H205 IonicContact OE2-CD2 2.75Å; E193-H205 PolarHBondContact OE2-CD2 3.07Å; E193-H205 VanDerWaalsContact OE2-CD2 3.29Å; E193-H205 IonicContact OE2-CG 3.78Å; E193-H205 IonicContact OE2-NE2 3.28Å
194K86.8Confident76Confident151 Ų15185.3 Ų85.366%0.65747%0.469SS*.  trans-55.1136.7-177.5-67.6-178.8178.5-177.10110.3A192 E206A192-K194 PolarHBondContact O-N 2.89Å; K194-E206 HydrophobicContact CB-CB 3.92Å; K194-E206 WeakPolarHBondContact CB-OE2 3.39Å; K194-E206 WeakPolarHBondContact CD-OE2 3.01Å; K194-E206 WeakPolarHBondContact O-CB 3.27Å; K194-E206 PolarHBondContact O-N 3.46Å
195K88.5Confident76.3Confident116 Ų11684.9 Ų84.950%0.50447%0.467SS..EExtended strand (participates in β ladder)trans-104.9148.617563.5-174177.2-173.10110.5I184 E193 V203 F204I184-K195 HydrophobicContact CG2-CB 4.23Å; I184-K195 HydrophobicContact CG2-CD 4.35Å; E193-K195 PolarHBondContact O-N 3.49Å; K195-V203 HydrophobicContact CB-CG1 4.05Å; K195-V203 HydrophobicContact CD-CG1 4.25Å; K195-V203 HydrophobicContact CG-CG1 4.45Å; K195-F204 CarbonylContact C-O 3.57Å; K195-F204 WeakPolarHBondContact CA-O 3.23Å
196Y88.8Confident76.9Confident46 Ų4682.9 Ų82.918%0.1844%0.444CS..EExtended strand (participates in β ladder)trans-127.5130.2176.5-164.5-89.5000109.6L198 V203 F204 Q232 M233Y196-L198 HydrophobicContact CD1-CD2 3.91Å; Y196-L198 HydrophobicContact CE1-CD2 3.92Å; Y196-V203 WeakPolarHBondContact O-CA 3.27Å; Y196-F204 PolarHBondContact N-O 3.44Å; Y196-F204 PolarHBondContact O-N 3.06Å; Y196-Q232 PolarHBondContact OH-O 3.41Å; Y196-M233 HydrophobicContact CD1-CE 4.05Å; Y196-M233 HydrophobicContact CD1-CG 4.4Å; Y196-M233 HydrophobicContact CD1-SD 4.44Å; Y196-M233 HydrophobicContact CE1-CE 4.13Å; Y196-M233 HydrophobicContact CE1-CG 3.56Å; Y196-M233 HydrophobicContact CE1-SD 4.08Å; Y196-M233 HydrophobicContact CE2-CG 4.43Å; Y196-M233 HydrophobicContact CG-CE 4.38Å; Y196-M233 WeakPolarHBondContact OH-CG 3.5Å
197R90.6Very high78.1Confident167 Ų16779.7 Ų79.763%0.6342%0.424SS*.EExtended strand (participates in β ladder)trans-101.1124.4175.1175.6176.6-86-136.7-2.4108.5V203R197-V203 HydrophobicContact CB-CG2 4.2Å; R197-V203 HydrophobicContact CG-CG2 4.3Å
198L90.2Very high79.9Confident9 Ų977 Ų775%0.04740%0.396CS..  trans-77.9168.7174.8-61.8-179.3000111.4Y196 C200 T201 H202 F204 I209 C221 V228 M233Y196-L198 HydrophobicContact CD1-CD2 3.91Å; Y196-L198 HydrophobicContact CE1-CD2 3.92Å; L198-C200 PolarHBondContact O-N 3.48Å; L198-T201 WeakPolarHBondContact O-CA 3.42Å; L198-T201 PolarHBondContact O-N 2.93Å; L198-H202 PolarHBondContact N-O 3.45Å; L198-F204 HydrophobicContact CD1-CD2 3.97Å; L198-F204 HydrophobicContact CD1-CE2 3.43Å; L198-F204 VanDerWaalsContact CD1-CE2 3.43Å; L198-F204 HydrophobicContact CD1-CZ 4.33Å; L198-F204 HydrophobicContact CG-CD2 4.12Å; L198-F204 HydrophobicContact CG-CE2 3.98Å; L198-I209 HydrophobicContact CD1-CD1 4.14Å; L198-I209 HydrophobicContact CD2-CG1 4.14Å; L198-C221 HydrophobicContact CD1-CB 4.05Å; L198-V228 HydrophobicContact CD1-CG2 3.93Å; L198-V228 HydrophobicContact CD2-CG1 3.74Å; L198-V228 HydrophobicContact CD2-CG2 4.22Å; L198-M233 HydrophobicContact CD2-SD 4.14Å
199T89.4Confident82Confident76 Ų7670.2 Ų70.247%0.46636%0.36SS..THydrogen-bonded Turntrans-57.4-37172.950.60000112.3T201T199-T201 PolarHBondContact O-N 2.92Å
200C89.5Confident83.9Confident13 Ų1364.8 Ų64.89%0.08833%0.332CS..THydrogen-bonded Turntrans-71.411.1173.568.20000114.1L198 H202 C221 E226L198-C200 PolarHBondContact O-N 3.48Å; C200-H202 PolarHBondContact O-N 3.49Å; C200-H202 PolarHBondContact O-ND1 3.32Å; C200-H202 PolarHBondContact SG-ND1 3.36Å; C200-C221 VanDerWaalsContact SG-SG 3.66Å; C200-E226 HydrophobicContact CB-CB 4.05Å; C200-E226 HydrophobicContact CB-CG 4.4Å; C200-E226 WeakPolarHBondContact CB-OE2 3.18Å
201T89.4Confident86.1Confident86 Ų8657.3 Ų57.353%0.52829%0.293SS..SBendtrans66.4-9.7179.573.10000117.2L198 T199L198-T201 WeakPolarHBondContact O-CA 3.42Å; L198-T201 PolarHBondContact O-N 2.93Å; T199-T201 PolarHBondContact O-N 2.92Å
202H89.7Confident87.8Confident50 Ų5052.4 Ų52.423%0.23126%0.257CS..  trans-63.1136.9173.7-64.799.5000111.8L198 C200 F204 Y223 C224L198-H202 PolarHBondContact N-O 3.45Å; C200-H202 PolarHBondContact O-N 3.49Å; C200-H202 PolarHBondContact O-ND1 3.32Å; C200-H202 PolarHBondContact SG-ND1 3.36Å; H202-F204 HydrophobicContact CB-CD2 4.5Å; H202-F204 HydrophobicContact CB-CE2 3.5Å; H202-F204 VanDerWaalsContact CB-CE2 3.5Å; H202-F204 HydrophobicContact CB-CZ 3.82Å; H202-Y223 AromaticContact CD2-CD1 3.59Å; H202-Y223 AromaticContact CE1-CD1 3.61Å; H202-Y223 AromaticContact NE2-CD1 3.09Å; H202-Y223 WeakPolarHBondContact NE2-CD1 3.37Å; H202-Y223 AromaticContact NE2-CE1 3.4Å; H202-Y223 WeakPolarHBondContact NE2-CE1 3.19Å; H202-C224 PolarHBondContact ND1-SG 3.31Å
203V91Very high89.1Confident43 Ų4349.3 Ų49.326%0.26123%0.231SC..EExtended strand (participates in β ladder)trans-108.4137-177.3-173.30000109.8I184 K195 Y196 R197I184-V203 HydrophobicContact CD1-CB 4.33Å; I184-V203 HydrophobicContact CD1-CG1 4.23Å; I184-V203 WeakPolarHBondContact CD1-O 3.43Å; I184-V203 HydrophobicContact CG2-CG1 4.37Å; K195-V203 HydrophobicContact CB-CG1 4.05Å; K195-V203 HydrophobicContact CD-CG1 4.25Å; K195-V203 HydrophobicContact CG-CG1 4.45Å; Y196-V203 WeakPolarHBondContact O-CA 3.27Å; R197-V203 HydrophobicContact CB-CG2 4.2Å; R197-V203 HydrophobicContact CG-CG2 4.3Å
204F91.6Very high89.3Confident2 Ų249.3 Ų49.31%0.00923%0.233CC..EExtended strand (participates in β ladder)trans-135.6161.5178.8-57.4-92.7000110.4A178 V179 K195 Y196 L198 H202 E206 I209 P222A178-F204 HydrophobicContact CB-CE1 3.75Å; V179-F204 HydrophobicContact CG2-CD1 4.1Å; V179-F204 HydrophobicContact CG2-CE1 4.4Å; K195-F204 CarbonylContact C-O 3.57Å; K195-F204 WeakPolarHBondContact CA-O 3.23Å; Y196-F204 PolarHBondContact N-O 3.44Å; Y196-F204 PolarHBondContact O-N 3.06Å; L198-F204 HydrophobicContact CD1-CD2 3.97Å; L198-F204 HydrophobicContact CD1-CE2 3.43Å; L198-F204 VanDerWaalsContact CD1-CE2 3.43Å; L198-F204 HydrophobicContact CD1-CZ 4.33Å; L198-F204 HydrophobicContact CG-CD2 4.12Å; L198-F204 HydrophobicContact CG-CE2 3.98Å; H202-F204 HydrophobicContact CB-CD2 4.5Å; H202-F204 HydrophobicContact CB-CE2 3.5Å; H202-F204 VanDerWaalsContact CB-CE2 3.5Å; H202-F204 HydrophobicContact CB-CZ 3.82Å; F204-E206 PolarHBondContact O-N 2.71Å; F204-I209 HydrophobicContact CB-CB 3.84Å; F204-I209 HydrophobicContact CB-CG2 4.2Å; F204-I209 HydrophobicContact CD2-CD1 4.16Å; F204-I209 HydrophobicContact CD2-CG1 4.38Å; F204-I209 HydrophobicContact CE2-CD1 4.46Å; F204-I209 HydrophobicContact CG-CB 4.24Å; F204-I209 HydrophobicContact CG-CD1 4.28Å; F204-I209 HydrophobicContact CG-CG1 4.49Å; F204-P222 HydrophobicContact CE1-CB 4.27Å; F204-P222 HydrophobicContact CE1-CG 3.95Å; F204-P222 HydrophobicContact CZ-CG 4.26Å
205H91.5Very high89.2Confident7 Ų743.2 Ų43.23%0.03221%0.208CC..EExtended strand (participates in β ladder)trans-60.3129.7160.3-63.4111.3000109R84 C177 C180 A183 E193 F207 C208 I209R84-H205 PolarHBondContact NH2-CE1 3.37Å; R84-H205 VanDerWaalsContact NH2-CE1 3.27Å; R84-H205 PolarHBondContact NH2-ND1 2.89Å; R84-H205 VanDerWaalsContact NH2-ND1 3.17Å; R84-H205 PolarHBondContact NH2-NE2 3.44Å; C177-H205 VanDerWaalsContact CB-ND1 3.33Å; C177-H205 WeakPolarHBondContact CB-ND1 3.26Å; C180-H205 PolarHBondContact SG-ND1 2.97Å; A183-H205 PolarHBondContact O-CE1 2.94Å; A183-H205 PolarHBondContact O-NE2 2.86Å; E193-H205 IonicContact OE1-CG 3.13Å; E193-H205 IonicContact OE2-CD2 2.75Å; E193-H205 PolarHBondContact OE2-CD2 3.07Å; E193-H205 VanDerWaalsContact OE2-CD2 3.29Å; E193-H205 IonicContact OE2-CG 3.78Å; E193-H205 IonicContact OE2-NE2 3.28Å; H205-F207 PolarHBondContact O-N 2.9Å; H205-C208 HydrophobicContact CB-CB 3.99Å; H205-C208 PolarHBondContact O-N 3.34Å; H205-I209 WeakPolarHBondContact O-CG2 3.46Å; H205-I209 PolarHBondContact O-N 3.02Å
206E89.1Confident88.8Confident35 Ų3538.1 Ų38.116%0.16419%0.189CC..Hα-helixtrans-54.6-43.5-177.9-176.1179.1-17100110.8K194 F204 C208 I209 R210K194-E206 HydrophobicContact CB-CB 3.92Å; K194-E206 WeakPolarHBondContact CB-OE2 3.39Å; K194-E206 WeakPolarHBondContact CD-OE2 3.01Å; K194-E206 WeakPolarHBondContact O-CB 3.27Å; K194-E206 PolarHBondContact O-N 3.46Å; F204-E206 PolarHBondContact O-N 2.71Å; E206-C208 VanDerWaalsContact C-N 3.35Å; E206-C208 PolarHBondContact O-N 2.78Å; E206-I209 WeakPolarHBondContact O-CG2 3.45Å; E206-R210 HydrophobicContact CG-CG 4.26Å; E206-R210 VanDerWaalsContact O-CB 3.27Å; E206-R210 WeakPolarHBondContact O-CB 3.5Å; E206-R210 VanDerWaalsContact O-CG 3.23Å; E206-R210 WeakPolarHBondContact O-CG 3.16Å; E206-R210 PolarHBondContact O-N 2.92Å; E206-R210 IonicContact OE1-CZ 3.84Å; E206-R210 IonicContact OE1-NE 3.35Å; E206-R210 PolarHBondContact OE1-NE 3.46Å; E206-R210 IonicContact OE1-NH2 2.69Å; E206-R210 PolarHBondContact OE1-NH2 3.44Å
207F89.5Confident88.5Confident69 Ų6941.2 Ų41.230%0.30320%0.203SC..Hα-helixtrans-61.7-41.4177.2-175.6-102.9000112.7R84 K88 L91 H205 G211R84-F207 HydrophobicContact CB-CD1 4.49Å; R84-F207 HydrophobicContact CB-CE1 4.15Å; R84-F207 HydrophobicContact CG-CD1 4.27Å; R84-F207 HydrophobicContact CG-CE1 4.42Å; K88-F207 HydrophobicContact CB-CZ 4.33Å; L91-F207 HydrophobicContact CD2-CE2 4.49Å; H205-F207 PolarHBondContact O-N 2.9Å; F207-G211 PolarHBondContact O-N 3.33Å
208C91.3Very high88.2Confident0 Ų034.9 Ų34.90%018%0.182CC..Hα-helixtrans-70-43.8-177.9-65.50000111.8V179 H205 E206 G211 W212V179-C208 HydrophobicContact CB-CB 3.96Å; V179-C208 HydrophobicContact CG1-CB 3.98Å; H205-C208 HydrophobicContact CB-CB 3.99Å; H205-C208 PolarHBondContact O-N 3.34Å; E206-C208 VanDerWaalsContact C-N 3.35Å; E206-C208 PolarHBondContact O-N 2.78Å; C208-G211 PolarHBondContact O-N 2.96Å; C208-W212 WeakPolarHBondContact O-CB 3.29Å; C208-W212 PolarHBondContact O-N 3.43Å
209I90.4Very high88Confident0 Ų038.9 Ų38.90%020%0.2CC..Hα-helixtrans-71.8-36.7178.7-168.963.3000111.8L198 F204 H205 E206 W212 C213 P222 M233L198-I209 HydrophobicContact CD1-CD1 4.14Å; L198-I209 HydrophobicContact CD2-CG1 4.14Å; F204-I209 HydrophobicContact CB-CB 3.84Å; F204-I209 HydrophobicContact CB-CG2 4.2Å; F204-I209 HydrophobicContact CD2-CD1 4.16Å; F204-I209 HydrophobicContact CD2-CG1 4.38Å; F204-I209 HydrophobicContact CE2-CD1 4.46Å; F204-I209 HydrophobicContact CG-CB 4.24Å; F204-I209 HydrophobicContact CG-CD1 4.28Å; F204-I209 HydrophobicContact CG-CG1 4.49Å; H205-I209 WeakPolarHBondContact O-CG2 3.46Å; H205-I209 PolarHBondContact O-N 3.02Å; E206-I209 WeakPolarHBondContact O-CG2 3.45Å; I209-W212 WeakPolarHBondContact O-CB 3.07Å; I209-W212 PolarHBondContact O-N 2.91Å; I209-C213 PolarHBondContact O-N 2.94Å; I209-C213 PolarHBondContact O-SG 2.91Å; I209-C213 VanDerWaalsContact O-SG 3.32Å; I209-P222 HydrophobicContact CD1-CG 4.12Å; I209-M233 HydrophobicContact CB-CE 4.38Å; I209-M233 HydrophobicContact CG1-CE 3.97Å; I209-M233 HydrophobicContact CG1-SD 4.31Å; I209-M233 HydrophobicContact CG2-CE 3.68Å
210R88.6Confident88Confident68 Ų6838.6 Ų38.626%0.25720%0.195SC..Hα-helixtrans-62.6-44.6171.4-75-178.1178.9-129.7-1.3111.3E206 W212 C213 I214 M233 E239E206-R210 HydrophobicContact CG-CG 4.26Å; E206-R210 VanDerWaalsContact O-CB 3.27Å; E206-R210 WeakPolarHBondContact O-CB 3.5Å; E206-R210 VanDerWaalsContact O-CG 3.23Å; E206-R210 WeakPolarHBondContact O-CG 3.16Å; E206-R210 PolarHBondContact O-N 2.92Å; E206-R210 IonicContact OE1-CZ 3.84Å; E206-R210 IonicContact OE1-NE 3.35Å; E206-R210 PolarHBondContact OE1-NE 3.46Å; E206-R210 IonicContact OE1-NH2 2.69Å; E206-R210 PolarHBondContact OE1-NH2 3.44Å; R210-W212 VanDerWaalsContact C-N 3.32Å; R210-W212 PolarHBondContact O-N 2.96Å; R210-C213 PolarHBondContact O-N 3.36Å; R210-I214 HydrophobicContact CB-CD1 4.28Å; R210-I214 VanDerWaalsContact O-CB 3.28Å; R210-I214 WeakPolarHBondContact O-CB 3.21Å; R210-I214 VanDerWaalsContact O-CG1 3.26Å; R210-I214 WeakPolarHBondContact O-CG1 3.45Å; R210-I214 PolarHBondContact O-N 3.27Å; R210-M233 HydrophobicContact CG-CE 4.17Å; R210-E239 IonicContact CZ-OE1 3.51Å; R210-E239 IonicContact NH1-OE1 2.84Å; R210-E239 PolarHBondContact NH1-OE1 3.27Å; R210-E239 IonicContact NH1-OE2 3.9Å
211G89.1Confident88Confident7 Ų738 Ų387%0.07219%0.191CC..Hα-helixtrans-58.4-44.7175.300000112.1F207 C208 V215 G216F207-G211 PolarHBondContact O-N 3.33Å; C208-G211 PolarHBondContact O-N 2.96Å; G211-V215 WeakPolarHBondContact O-CA 3.41Å; G211-V215 WeakPolarHBondContact O-CB 3.35Å; G211-V215 PolarHBondContact O-N 3.34Å; G211-G216 PolarHBondContact O-N 3.3Å
212W88.8Confident88Confident11 Ų1134.3 Ų34.34%0.04217%0.169CC..Hα-helixtrans-58.6-49.6175.7179.5-96.5000112.9A156 I159 C208 I209 R210 G216 N218 I220 P222A156-W212 HydrophobicContact CB-CH2 3.25Å; A156-W212 HydrophobicContact CB-CZ2 4.2Å; A156-W212 HydrophobicContact CB-CZ3 3.57Å; I159-W212 HydrophobicContact CD1-CZ3 4.12Å; C208-W212 WeakPolarHBondContact O-CB 3.29Å; C208-W212 PolarHBondContact O-N 3.43Å; I209-W212 WeakPolarHBondContact O-CB 3.07Å; I209-W212 PolarHBondContact O-N 2.91Å; R210-W212 VanDerWaalsContact C-N 3.32Å; R210-W212 PolarHBondContact O-N 2.96Å; W212-G216 WeakPolarHBondContact O-CA 3.08Å; W212-G216 PolarHBondContact O-N 3.21Å; W212-N218 HydrophobicContact CD2-CB 4.19Å; W212-N218 HydrophobicContact CG-CB 4.21Å; W212-N218 HydrophobicContact CZ2-CB 4.2Å; W212-N218 PolarHBondContact O-N 3.05Å; W212-I220 PolarHBondContact NE1-O 3.37Å; W212-P222 HydrophobicContact CD2-CB 4.47Å; W212-P222 HydrophobicContact CD2-CG 3.88Å; W212-P222 HydrophobicContact CG-CG 3.98Å; W212-P222 HydrophobicContact CH2-CB 4.41Å; W212-P222 HydrophobicContact CZ2-CB 4.11Å; W212-P222 HydrophobicContact CZ2-CG 4.21Å
213C88Confident87.8Confident8 Ų834.1 Ų34.15%0.05417%0.166CC..Hα-helixtrans-73.6-41.7-177.1-63.20000113I209 R210 K217 N218 L230 F234I209-C213 PolarHBondContact O-N 2.94Å; I209-C213 PolarHBondContact O-SG 2.91Å; I209-C213 VanDerWaalsContact O-SG 3.32Å; R210-C213 PolarHBondContact O-N 3.36Å; C213-K217 VanDerWaalsContact O-CA 3.23Å; C213-K217 WeakPolarHBondContact O-CA 3.3Å; C213-K217 PolarHBondContact O-N 3.04Å; C213-N218 WeakPolarHBondContact CA-O 3.32Å; C213-L230 HydrophobicContact CB-CD2 3.94Å; C213-F234 HydrophobicContact CB-CZ 4.12Å
214I83.8Confident87.6Confident72 Ų7234.3 Ų34.337%0.36917%0.169SC..Hα-helixtrans-83.7-59.1-175.4-58172.1000110.9R210 K217 F234R210-I214 HydrophobicContact CB-CD1 4.28Å; R210-I214 VanDerWaalsContact O-CB 3.28Å; R210-I214 WeakPolarHBondContact O-CB 3.21Å; R210-I214 VanDerWaalsContact O-CG1 3.26Å; R210-I214 WeakPolarHBondContact O-CG1 3.45Å; R210-I214 PolarHBondContact O-N 3.27Å; I214-K217 PolarHBondContact O-N 3.13Å; I214-F234 HydrophobicContact CD1-CD1 4.47Å; I214-F234 HydrophobicContact CD1-CE1 3.61Å; I214-F234 HydrophobicContact CD1-CZ 4.06Å; I214-F234 HydrophobicContact CG1-CE1 3.6Å; I214-F234 HydrophobicContact CG1-CE2 4.49Å; I214-F234 HydrophobicContact CG1-CZ 3.48Å; I214-F234 VanDerWaalsContact CG1-CZ 3.48Å
215V83.5Confident87.3Confident23 Ų2339.7 Ų39.714%0.13919%0.189CC..THydrogen-bonded Turntrans-71.4-40.3-173.3-174.10000109.8Y87 F90 A148 G211Y87-V215 HydrophobicContact CD1-CB 3.92Å; Y87-V215 HydrophobicContact CD1-CG1 4.1Å; Y87-V215 HydrophobicContact CD1-CG2 4.02Å; Y87-V215 HydrophobicContact CE1-CB 4.2Å; Y87-V215 HydrophobicContact CE1-CG1 4.49Å; F90-V215 HydrophobicContact CB-CG1 3.99Å; F90-V215 HydrophobicContact CD2-CG1 4.25Å; F90-V215 HydrophobicContact CG-CG1 4.35Å; A148-V215 HydrophobicContact CB-CG1 3.69Å; G211-V215 WeakPolarHBondContact O-CA 3.41Å; G211-V215 WeakPolarHBondContact O-CB 3.35Å; G211-V215 PolarHBondContact O-N 3.34Å
216G80.7Confident87.2Confident9 Ų943.9 Ų43.99%0.09321%0.209CC..SBendtrans-84.4-8.3177.900000116G211 W212 N218G211-G216 PolarHBondContact O-N 3.3Å; W212-G216 WeakPolarHBondContact O-CA 3.08Å; W212-G216 PolarHBondContact O-N 3.21Å; G216-N218 PolarHBondContact O-N 3.29Å; G216-N218 VanDerWaalsContact O-N 3.07Å; G216-N218 PolarHBondContact O-OD1 2.95Å
217K82.1Confident87.2Confident111 Ų11149 Ų4948%0.48323%0.23SC..  trans49.130.9-171.7-58.3177-176.4163.50112.5E149 C213 I214E149-K217 IonicContact OE2-NZ 3.43Å; E149-K217 PolarHBondContact OE2-NZ 2.93Å; C213-K217 VanDerWaalsContact O-CA 3.23Å; C213-K217 WeakPolarHBondContact O-CA 3.3Å; C213-K217 PolarHBondContact O-N 3.04Å; I214-K217 PolarHBondContact O-N 3.13Å
218N84.7Confident87.1Confident34 Ų3446.1 Ų46.118%0.18222%0.218CC..  trans-88.8119.9-178.8-68.6-45.9000109.4W212 C213 G216 I220W212-N218 HydrophobicContact CD2-CB 4.19Å; W212-N218 HydrophobicContact CG-CB 4.21Å; W212-N218 HydrophobicContact CZ2-CB 4.2Å; W212-N218 PolarHBondContact O-N 3.05Å; C213-N218 WeakPolarHBondContact CA-O 3.32Å; G216-N218 PolarHBondContact O-N 3.29Å; G216-N218 VanDerWaalsContact O-N 3.07Å; G216-N218 PolarHBondContact O-OD1 2.95Å; N218-I220 VanDerWaalsContact C-N 3.32Å
219E87Confident86.8Confident93 Ų9349.9 Ų49.944%0.43524%0.238SC..  trans-9415.1177.5-48.2-162.4154.600113.2K227 V228 L230E219-K227 WeakPolarHBondContact O-CA 3.5Å; E219-K227 WeakPolarHBondContact O-CG 3.38Å; E219-K227 VanDerWaalsContact OE2-CE 3.28Å; E219-K227 WeakPolarHBondContact OE2-CE 3.32Å; E219-K227 IonicContact OE2-NZ 2.68Å; E219-K227 PolarHBondContact OE2-NZ 2.9Å; E219-V228 PolarHBondContact O-N 2.83Å; E219-L230 HydrophobicContact CB-CD1 4.48Å; E219-L230 HydrophobicContact CG-CD1 3.95Å
220I88.9Confident86.2Confident70 Ų7051.9 Ų51.936%0.35925%0.249SC..BIsolated β-bridgetrans-124.1147.7-174.258169.4000111.6W212 N218 R225 E226W212-I220 PolarHBondContact NE1-O 3.37Å; N218-I220 VanDerWaalsContact C-N 3.32Å; I220-R225 HydrophobicContact CD1-CG 4.42Å; I220-E226 CarbonylContact C-O 3.58Å; I220-E226 WeakPolarHBondContact CA-O 3.5Å
221C89.9Confident85.6Confident0 Ų056.4 Ų56.40%027%0.27CS..  trans-59.4129.2172.9179.50000109.8L198 C200 Y223 C224 R225 E226 V228L198-C221 HydrophobicContact CD1-CB 4.05Å; C200-C221 VanDerWaalsContact SG-SG 3.66Å; C221-Y223 PolarHBondContact O-N 3.13Å; C221-Y223 VanDerWaalsContact O-N 3.13Å; C221-C224 VanDerWaalsContact CB-SG 3.55Å; C221-R225 VanDerWaalsContact O-CA 3.26Å; C221-R225 WeakPolarHBondContact O-CA 3.49Å; C221-R225 PolarHBondContact O-N 2.99Å; C221-E226 PolarHBondContact N-O 3.39Å; C221-V228 HydrophobicContact CB-CG2 4.48Å
222P88.5Confident85.1Confident9 Ų961 Ų616%0.05829%0.29CS..THydrogen-bonded Turntrans-57.4-28.2178.7-22.929000114.1V179 F204 I209 W212V179-P222 HydrophobicContact CG2-CB 4.03Å; V179-P222 HydrophobicContact CG2-CG 3.54Å; F204-P222 HydrophobicContact CE1-CB 4.27Å; F204-P222 HydrophobicContact CE1-CG 3.95Å; F204-P222 HydrophobicContact CZ-CG 4.26Å; I209-P222 HydrophobicContact CD1-CG 4.12Å; W212-P222 HydrophobicContact CD2-CB 4.47Å; W212-P222 HydrophobicContact CD2-CG 3.88Å; W212-P222 HydrophobicContact CG-CG 3.98Å; W212-P222 HydrophobicContact CH2-CB 4.41Å; W212-P222 HydrophobicContact CZ2-CB 4.11Å; W212-P222 HydrophobicContact CZ2-CG 4.21Å
223Y86.2Confident84.4Confident46 Ų4660.9 Ų60.918%0.1829%0.29CS..THydrogen-bonded Turntrans-92.3-76.9-179.3-174.7-103.1000111.2Y161 F162 L172 H202 C221 R225Y161-Y223 HydrophobicContact CD1-CD2 4.12Å; Y161-Y223 HydrophobicContact CD1-CE2 4.18Å; Y161-Y223 AromaticContact CD2-CD2 3.97Å; Y161-Y223 HydrophobicContact CD2-CD2 3.97Å; Y161-Y223 HydrophobicContact CE2-CD2 4.49Å; Y161-Y223 AromaticContact CG-CD2 3.78Å; Y161-Y223 HydrophobicContact CG-CD2 3.78Å; Y161-Y223 HydrophobicContact CG-CE2 4.17Å; F162-Y223 WeakPolarHBondContact CD2-O 3.46Å; F162-Y223 HydrophobicContact CE2-CD1 4.38Å; F162-Y223 HydrophobicContact CE2-CD2 4.36Å; F162-Y223 HydrophobicContact CE2-CE1 4.36Å; F162-Y223 HydrophobicContact CE2-CE2 4.29Å; F162-Y223 HydrophobicContact CE2-CG 4.42Å; F162-Y223 WeakPolarHBondContact CE2-O 3.37Å; F162-Y223 HydrophobicContact CZ-CE1 4.35Å; L172-Y223 HydrophobicContact CB-CD2 4.01Å; L172-Y223 HydrophobicContact CB-CE2 3.58Å; L172-Y223 HydrophobicContact CD2-CD2 4.09Å; L172-Y223 HydrophobicContact CD2-CE2 4.4Å; H202-Y223 AromaticContact CD2-CD1 3.59Å; H202-Y223 AromaticContact CE1-CD1 3.61Å; H202-Y223 AromaticContact NE2-CD1 3.09Å; H202-Y223 WeakPolarHBondContact NE2-CD1 3.37Å; H202-Y223 AromaticContact NE2-CE1 3.4Å; H202-Y223 WeakPolarHBondContact NE2-CE1 3.19Å; C221-Y223 PolarHBondContact O-N 3.13Å; C221-Y223 VanDerWaalsContact O-N 3.13Å; Y223-R225 VanDerWaalsContact C-N 3.33Å; Y223-R225 PolarHBondContact O-N 3.31Å
224C86.3Confident83.5Confident46 Ų4661.6 Ų61.631%0.31129%0.292SS..THydrogen-bonded Turntrans-80.7-4.2-172.262.50000115.6H202 C221 E226H202-C224 PolarHBondContact ND1-SG 3.31Å; C221-C224 VanDerWaalsContact CB-SG 3.55Å; C224-E226 PolarHBondContact O-N 3.08Å; C224-E226 VanDerWaalsContact O-N 3.08Å
225R85.6Confident82.6Confident115 Ų11565.9 Ų65.943%0.43431%0.311SS..  trans60.110.2-176-56.8-174.2170.5153.64.5116.2F162 N163 I220 C221 Y223F162-R225 PolarHBondContact O-NH2 3.47Å; N163-R225 PolarHBondContact O-NH1 3.16Å; I220-R225 HydrophobicContact CD1-CG 4.42Å; C221-R225 VanDerWaalsContact O-CA 3.26Å; C221-R225 WeakPolarHBondContact O-CA 3.49Å; C221-R225 PolarHBondContact O-N 2.99Å; Y223-R225 VanDerWaalsContact C-N 3.33Å; Y223-R225 PolarHBondContact O-N 3.31Å
226E88.8Confident81.5Confident96 Ų9669.3 Ų69.345%0.44933%0.328SS..PPolyproline II helixtrans-62.3143.4170.3-166.8-178.7142.900110.6C200 I220 C221 C224 V228C200-E226 HydrophobicContact CB-CB 4.05Å; C200-E226 HydrophobicContact CB-CG 4.4Å; C200-E226 WeakPolarHBondContact CB-OE2 3.18Å; I220-E226 CarbonylContact C-O 3.58Å; I220-E226 WeakPolarHBondContact CA-O 3.5Å; C221-E226 PolarHBondContact N-O 3.39Å; C224-E226 PolarHBondContact O-N 3.08Å; C224-E226 VanDerWaalsContact O-N 3.08Å; E226-V228 PolarHBondContact O-N 3.44Å
227K89.5Confident80Confident143 Ų14373.5 Ų73.562%0.62235%0.354SS*.BIsolated β-bridgetrans-65.3132.4179.4-169.8172.8-175.8167.80110.4E219E219-K227 WeakPolarHBondContact O-CA 3.5Å; E219-K227 WeakPolarHBondContact O-CG 3.38Å; E219-K227 VanDerWaalsContact OE2-CE 3.28Å; E219-K227 WeakPolarHBondContact OE2-CE 3.32Å; E219-K227 IonicContact OE2-NZ 2.68Å; E219-K227 PolarHBondContact OE2-NZ 2.9Å
228V87.7Confident78.4Confident7 Ų779.7 Ų79.74%0.04237%0.374CS..PPolyproline II helixtrans-89133.9178.4179.20000110.1L198 E219 C221 E226 L230 M233L198-V228 HydrophobicContact CD1-CG2 3.93Å; L198-V228 HydrophobicContact CD2-CG1 3.74Å; L198-V228 HydrophobicContact CD2-CG2 4.22Å; E219-V228 PolarHBondContact O-N 2.83Å; C221-V228 HydrophobicContact CB-CG2 4.48Å; E226-V228 PolarHBondContact O-N 3.44Å; V228-L230 HydrophobicContact CG1-CD2 4.33Å; V228-L230 PolarHBondContact O-N 3.27Å; V228-M233 HydrophobicContact CG1-CG 4.32Å; V228-M233 HydrophobicContact CG1-SD 3.7Å
229D84.6Confident77.1Confident80 Ų8080.7 Ų80.743%0.42838%0.378SS..  trans-75.793169.9-170.2-4.2000111K231 Q232 M233D229-K231 PolarHBondContact O-N 3.49Å; D229-K231 WeakPolarHBondContact OD1-CB 3.5Å; D229-K231 PolarHBondContact OD1-N 3.15Å; D229-Q232 HydrophobicContact CB-CB 4.4Å; D229-Q232 PolarHBondContact O-N 2.93Å; D229-M233 PolarHBondContact O-N 3.15Å
230L78.5Confident75.5Confident42 Ų4282.4 Ų82.422%0.2238%0.384CS..Hα-helixtrans-62.2-25.4178.7-58.8179.7000112.9C213 E219 V228 Q232 M233 F234C213-L230 HydrophobicContact CB-CD2 3.94Å; E219-L230 HydrophobicContact CB-CD1 4.48Å; E219-L230 HydrophobicContact CG-CD1 3.95Å; V228-L230 HydrophobicContact CG1-CD2 4.33Å; V228-L230 PolarHBondContact O-N 3.27Å; L230-Q232 VanDerWaalsContact C-N 3.33Å; L230-M233 PolarHBondContact O-N 3.47Å; L230-F234 HydrophobicContact CB-CD2 4.01Å; L230-F234 HydrophobicContact CB-CE2 3.94Å; L230-F234 HydrophobicContact CD2-CE2 3.9Å; L230-F234 HydrophobicContact CG-CE2 4.38Å; L230-F234 WeakPolarHBondContact O-CD2 3.47Å; L230-F234 PolarHBondContact O-N 3.37Å
231K76.4Confident73.8Confident162 Ų16283.5 Ų83.570%0.70440%0.396SS*.Hα-helixtrans-68.9-36.7179.8-65.4179.7-179.1175.80111.3D229 F234D229-K231 PolarHBondContact O-N 3.49Å; D229-K231 WeakPolarHBondContact OD1-CB 3.5Å; D229-K231 PolarHBondContact OD1-N 3.15Å; K231-F234 CarbonylContact O-C 3.56Å
232Q76.7Confident72.1Confident105 Ų10588 Ų8849%0.49142%0.417SS..Hα-helixtrans-72.2-32.3177.2-166.4-179.39.400111.8Y196 D229 L230Y196-Q232 PolarHBondContact OH-O 3.41Å; D229-Q232 HydrophobicContact CB-CB 4.4Å; D229-Q232 PolarHBondContact O-N 2.93Å; L230-Q232 VanDerWaalsContact C-N 3.33Å
233M74.2Confident70.5Confident8 Ų895.5 Ų95.54%0.03945%0.453CS..Hα-helixtrans-72.3-38.4175.6-74.1-160.173.100113.2Y196 L198 I209 R210 V228 D229 L230Y196-M233 HydrophobicContact CD1-CE 4.05Å; Y196-M233 HydrophobicContact CD1-CG 4.4Å; Y196-M233 HydrophobicContact CD1-SD 4.44Å; Y196-M233 HydrophobicContact CE1-CE 4.13Å; Y196-M233 HydrophobicContact CE1-CG 3.56Å; Y196-M233 HydrophobicContact CE1-SD 4.08Å; Y196-M233 HydrophobicContact CE2-CG 4.43Å; Y196-M233 HydrophobicContact CG-CE 4.38Å; Y196-M233 WeakPolarHBondContact OH-CG 3.5Å; L198-M233 HydrophobicContact CD2-SD 4.14Å; I209-M233 HydrophobicContact CB-CE 4.38Å; I209-M233 HydrophobicContact CG1-CE 3.97Å; I209-M233 HydrophobicContact CG1-SD 4.31Å; I209-M233 HydrophobicContact CG2-CE 3.68Å; R210-M233 HydrophobicContact CG-CE 4.17Å; V228-M233 HydrophobicContact CG1-CG 4.32Å; V228-M233 HydrophobicContact CG1-SD 3.7Å; D229-M233 PolarHBondContact O-N 3.15Å; L230-M233 PolarHBondContact O-N 3.47Å
234F69.7Low69.2Low23 Ų23100 Ų10010%0.10148%0.477CS..  trans-110.575.7-176-50.4-55.6000110.4C213 I214 L230 K231 N236 E239C213-F234 HydrophobicContact CB-CZ 4.12Å; I214-F234 HydrophobicContact CD1-CD1 4.47Å; I214-F234 HydrophobicContact CD1-CE1 3.61Å; I214-F234 HydrophobicContact CD1-CZ 4.06Å; I214-F234 HydrophobicContact CG1-CE1 3.6Å; I214-F234 HydrophobicContact CG1-CE2 4.49Å; I214-F234 HydrophobicContact CG1-CZ 3.48Å; I214-F234 VanDerWaalsContact CG1-CZ 3.48Å; L230-F234 HydrophobicContact CB-CD2 4.01Å; L230-F234 HydrophobicContact CB-CE2 3.94Å; L230-F234 HydrophobicContact CD2-CE2 3.9Å; L230-F234 HydrophobicContact CG-CE2 4.38Å; L230-F234 WeakPolarHBondContact O-CD2 3.47Å; L230-F234 PolarHBondContact O-N 3.37Å; K231-F234 CarbonylContact O-C 3.56Å; F234-N236 VanDerWaalsContact C-N 3.26Å; F234-N236 PolarHBondContact O-N 3.42Å; F234-E239 HydrophobicContact CB-CB 4.23Å; F234-E239 HydrophobicContact CD1-CB 4.4Å
235Q64.8Low68.6Low161 Ų16199.7 Ų99.775%0.75247%0.47SS*.  trans-68.3-29.2179.4-65.8-171.2-19.800112.2P237Q235-P237 WeakPolarHBondContact O-CD 3.27Å
236N60.3Low68.1Low96 Ų9695.2 Ų95.251%0.51346%0.459SS..SBendtrans-80.3122.6179.3-73.8-28000110.2F234 W238 E239F234-N236 VanDerWaalsContact C-N 3.26Å; F234-N236 PolarHBondContact O-N 3.42Å; N236-W238 PolarHBondContact O-N 2.87Å; N236-W238 VanDerWaalsContact O-N 3.1Å; N236-E239 HydrophobicContact CB-CB 4.38Å; N236-E239 HydrophobicContact CB-CG 3.98Å; N236-E239 WeakPolarHBondContact O-CB 3.3Å; N236-E239 PolarHBondContact O-N 2.78Å
237P50.2Low67.7Low96 Ų9696.7 Ų96.762%0.62347%0.466SS*.G310 helixtrans-55.3-31.7176.1-22.831.7000112.5Q235 E239 K240Q235-P237 WeakPolarHBondContact O-CD 3.27Å; P237-E239 VanDerWaalsContact C-N 3.26Å; P237-E239 PolarHBondContact O-N 3.14Å; P237-K240 WeakPolarHBondContact O-CB 3.5Å; P237-K240 PolarHBondContact O-N 3.48Å
238W48.4Very low67.3Low242 Ų24294 Ų9492%0.91746%0.455SS*.G310 helixtrans-69.2-15.6176.5-57.4101.9000114.4N236N236-W238 PolarHBondContact O-N 2.87Å; N236-W238 VanDerWaalsContact O-N 3.1Å
239E55.9Low67Low55 Ų5593.8 Ų93.826%0.25745%0.453SS..G310 helixtrans-86.7-12.8173.7-74.1-177.4158.600112.6R210 F234 N236 P237 P241R210-E239 IonicContact CZ-OE1 3.51Å; R210-E239 IonicContact NH1-OE1 2.84Å; R210-E239 PolarHBondContact NH1-OE1 3.27Å; R210-E239 IonicContact NH1-OE2 3.9Å; F234-E239 HydrophobicContact CB-CB 4.23Å; F234-E239 HydrophobicContact CD1-CB 4.4Å; N236-E239 HydrophobicContact CB-CB 4.38Å; N236-E239 HydrophobicContact CB-CG 3.98Å; N236-E239 WeakPolarHBondContact O-CB 3.3Å; N236-E239 PolarHBondContact O-N 2.78Å; P237-E239 VanDerWaalsContact C-N 3.26Å; P237-E239 PolarHBondContact O-N 3.14Å; E239-P241 WeakPolarHBondContact O-CD 3.45Å; E239-P241 VanDerWaalsContact O-N 3.15Å
240K55.1Low67Low129 Ų12991.9 Ų91.956%0.56144%0.443SS*.SBendtrans-70.1106.7170.1-71.5-180179.91710107.4P237 E242P237-K240 WeakPolarHBondContact O-CB 3.5Å; P237-K240 PolarHBondContact O-N 3.48Å; K240-E242 VanDerWaalsContact C-N 3.33Å; K240-E242 PolarHBondContact O-N 2.87Å
241P53.2Low67.3Low93 Ų9395.3 Ų95.360%0.60446%0.457SS*.  trans-71.699.7-180-7.126.4000106.8E239 M243E239-P241 WeakPolarHBondContact O-CD 3.45Å; E239-P241 VanDerWaalsContact O-N 3.15Å; P241-M243 PolarHBondContact O-N 3.23Å; P241-M243 VanDerWaalsContact O-N 3.07Å
242E54.1Low67.9Low95 Ų9588.7 Ų88.744%0.44443%0.429SS..  trans8.288.2152.3-58.8-176.1-145.600114.4K240 M244 Y245 G246K240-E242 VanDerWaalsContact C-N 3.33Å; K240-E242 PolarHBondContact O-N 2.87Å; E242-M244 PolarHBondContact O-N 2.83Å; E242-M244 VanDerWaalsContact O-N 3.09Å; E242-Y245 VanDerWaalsContact CB-CB 3.42Å; E242-Y245 PolarHBondContact O-N 3.04Å; E242-Y245 WeakPolarHBondContact OE2-CB 3Å; E242-G246 PolarHBondContact O-N 3.29Å
243M54.3Low68.5Low165 Ų16584.1 Ų84.181%0.81341%0.407SS*.Hα-helixtrans-50.4-33.3165.4-77.3-178.6-172.800110.6P241 G246 Q247P241-M243 PolarHBondContact O-N 3.23Å; P241-M243 VanDerWaalsContact O-N 3.07Å; M243-G246 PolarHBondContact O-N 2.67Å; M243-Q247 WeakPolarHBondContact O-CG 2.97Å; M243-Q247 PolarHBondContact O-N 3.1Å
244M58.9Low69.1Low141 Ų14184.8 Ų84.870%0.69541%0.409SS*.Hα-helixtrans-62.2-48.7173.9-62.1-59-71.300112.7E242 G246 Q247 F248E242-M244 PolarHBondContact O-N 2.83Å; E242-M244 VanDerWaalsContact O-N 3.09Å; M244-G246 VanDerWaalsContact C-N 3.28Å; M244-G246 PolarHBondContact O-N 3.03Å; M244-Q247 PolarHBondContact O-N 3.4Å; M244-F248 WeakPolarHBondContact O-CB 3.47Å; M244-F248 PolarHBondContact O-N 3.14Å
245Y74.3Confident70Confident39 Ų3987.2 Ų87.215%0.15342%0.423CS..Hα-helixtrans-61.6-39.8174.9-171.9-116.1000111.1L138 E242 Q247 F248 L249L138-Y245 HydrophobicContact CD2-CE2 4.21Å; E242-Y245 VanDerWaalsContact CB-CB 3.42Å; E242-Y245 PolarHBondContact O-N 3.04Å; E242-Y245 WeakPolarHBondContact OE2-CB 3Å; Y245-Q247 PolarHBondContact O-N 3.5Å; Y245-F248 PolarHBondContact O-N 2.86Å; Y245-L249 HydrophobicContact CD1-CD1 3.81Å; Y245-L249 HydrophobicContact CD1-CG 4.19Å; Y245-L249 HydrophobicContact CD2-CG 4.49Å; Y245-L249 HydrophobicContact CE1-CD1 3.41Å; Y245-L249 VanDerWaalsContact CE1-CD1 3.41Å; Y245-L249 HydrophobicContact CE1-CD2 4.32Å; Y245-L249 HydrophobicContact CE1-CG 3.96Å; Y245-L249 HydrophobicContact CE2-CD2 4.1Å; Y245-L249 HydrophobicContact CE2-CG 4.25Å; Y245-L249 HydrophobicContact CG-CG 4.44Å; Y245-L249 WeakPolarHBondContact O-CB 3.35Å; Y245-L249 VanDerWaalsContact O-CG 3.29Å; Y245-L249 WeakPolarHBondContact O-CG 3.4Å; Y245-L249 PolarHBondContact O-N 2.98Å
246G74.1Confident71.1Confident21 Ų2180.8 Ų80.822%0.21639%0.394CS..Hα-helixtrans-57.8-47.2174.700000113.1R145 E242 M243 M244 D250R145-G246 PolarHBondContact NH1-O 3.2Å; E242-G246 PolarHBondContact O-N 3.29Å; M243-G246 PolarHBondContact O-N 2.67Å; M244-G246 VanDerWaalsContact C-N 3.28Å; M244-G246 PolarHBondContact O-N 3.03Å; G246-D250 PolarHBondContact O-N 3Å; G246-D250 VanDerWaalsContact O-N 3.15Å
247Q79.6Confident72.6Confident127 Ų12776.2 Ų76.259%0.59337%0.37SS*.Hα-helixtrans-67.2-39.5176.2-71.9177.2-5.300112.2M243 M244 Y245 D250 F251M243-Q247 WeakPolarHBondContact O-CG 2.97Å; M243-Q247 PolarHBondContact O-N 3.1Å; M244-Q247 PolarHBondContact O-N 3.4Å; Y245-Q247 PolarHBondContact O-N 3.5Å; Q247-D250 WeakPolarHBondContact O-CB 3.41Å; Q247-D250 PolarHBondContact O-N 2.94Å; Q247-F251 PolarHBondContact O-N 2.79Å
248F81.4Confident74.5Confident88 Ų8872.9 Ų72.939%0.38635%0.345SS..Hα-helixtrans-63.1-44.3177.1-177.4-112.9000111.9L138 M244 Y245 D250 F251 I252L138-F248 HydrophobicContact CD1-CE1 3.53Å; L138-F248 HydrophobicContact CD1-CZ 3.89Å; L138-F248 HydrophobicContact CD2-CD1 4.04Å; L138-F248 HydrophobicContact CD2-CE1 3.51Å; L138-F248 HydrophobicContact CG-CE1 4.14Å; M244-F248 WeakPolarHBondContact O-CB 3.47Å; M244-F248 PolarHBondContact O-N 3.14Å; Y245-F248 PolarHBondContact O-N 2.86Å; F248-D250 VanDerWaalsContact C-N 3.28Å; F248-D250 PolarHBondContact O-N 2.97Å; F248-F251 WeakPolarHBondContact O-CB 3.09Å; F248-F251 PolarHBondContact O-N 3.39Å; F248-I252 HydrophobicContact CD1-CG1 4.46Å; F248-I252 HydrophobicContact CE1-CD1 4.43Å; F248-I252 HydrophobicContact CE1-CG1 4.16Å; F248-I252 HydrophobicContact CE2-CD1 4.48Å; F248-I252 HydrophobicContact CZ-CD1 4.08Å; F248-I252 HydrophobicContact CZ-CG1 4.25Å; F248-I252 WeakPolarHBondContact O-CG1 3.49Å; F248-I252 PolarHBondContact O-N 3.36Å
249L82.5Confident76.5Confident2 Ų263.7 Ų63.71%0.0131%0.312CS..Hα-helixtrans-62-34.2173.5-72.2-172.8000112.5L138 V142 Y245 F251 I252 R253L138-L249 HydrophobicContact CD2-CD2 4.22Å; V142-L249 HydrophobicContact CG2-CB 3.89Å; V142-L249 HydrophobicContact CG2-CD2 3.59Å; V142-L249 HydrophobicContact CG2-CG 4.2Å; V142-L249 WeakPolarHBondContact CG2-O 3.17Å; Y245-L249 HydrophobicContact CD1-CD1 3.81Å; Y245-L249 HydrophobicContact CD1-CG 4.19Å; Y245-L249 HydrophobicContact CD2-CG 4.49Å; Y245-L249 HydrophobicContact CE1-CD1 3.41Å; Y245-L249 VanDerWaalsContact CE1-CD1 3.41Å; Y245-L249 HydrophobicContact CE1-CD2 4.32Å; Y245-L249 HydrophobicContact CE1-CG 3.96Å; Y245-L249 HydrophobicContact CE2-CD2 4.1Å; Y245-L249 HydrophobicContact CE2-CG 4.25Å; Y245-L249 HydrophobicContact CG-CG 4.44Å; Y245-L249 WeakPolarHBondContact O-CB 3.35Å; Y245-L249 VanDerWaalsContact O-CG 3.29Å; Y245-L249 WeakPolarHBondContact O-CG 3.4Å; Y245-L249 PolarHBondContact O-N 2.98Å; L249-F251 VanDerWaalsContact C-N 3.33Å; L249-I252 PolarHBondContact O-N 3.45Å; L249-R253 WeakPolarHBondContact O-CB 3.43Å; L249-R253 PolarHBondContact O-N 2.82Å
250D83.2Confident78.1Confident40 Ų4062.7 Ų62.721%0.21431%0.311CS..Hα-helixtrans-65.5-35.3172.5-817.8000112.3K24 R145 G246 Q247 F248 R253 Y254K24-D250 IonicContact NZ-OD2 3.85Å; K24-D250 PolarHBondContact NZ-OD2 3.43Å; R145-D250 IonicContact CZ-OD1 3.75Å; R145-D250 IonicContact NH1-OD1 2.7Å; R145-D250 PolarHBondContact NH1-OD1 3.4Å; R145-D250 IonicContact NH2-OD1 3.29Å; R145-D250 PolarHBondContact NH2-OD1 2.88Å; G246-D250 PolarHBondContact O-N 3Å; G246-D250 VanDerWaalsContact O-N 3.15Å; Q247-D250 WeakPolarHBondContact O-CB 3.41Å; Q247-D250 PolarHBondContact O-N 2.94Å; F248-D250 VanDerWaalsContact C-N 3.28Å; F248-D250 PolarHBondContact O-N 2.97Å; D250-R253 WeakPolarHBondContact O-CB 3.38Å; D250-R253 IonicContact OD1-CZ 2.78Å; D250-R253 IonicContact OD1-NH1 3.82Å; D250-R253 PolarHBondContact OD1-NH1 3.24Å; D250-R253 IonicContact OD1-NH2 2.9Å; D250-R253 IonicContact OD2-NH1 2.71Å; D250-Y254 PolarHBondContact O-N 2.99Å
251F86.4Confident79.8Confident114 Ų11458.6 Ų58.650%0.530%0.296SS..Hα-helixtrans-68.2-44.7173.9175-104.5000111.8Q247 F248 L249 R253 Y254 L255Q247-F251 PolarHBondContact O-N 2.79Å; F248-F251 WeakPolarHBondContact O-CB 3.09Å; F248-F251 PolarHBondContact O-N 3.39Å; L249-F251 VanDerWaalsContact C-N 3.33Å; F251-R253 VanDerWaalsContact C-N 3.28Å; F251-R253 PolarHBondContact O-N 3.23Å; F251-Y254 WeakPolarHBondContact O-CB 3.16Å; F251-Y254 PolarHBondContact O-N 3.01Å; F251-Y254 VanDerWaalsContact O-N 3.07Å; F251-L255 HydrophobicContact CD1-CD1 3.94Å; F251-L255 HydrophobicContact CD1-CG 4.43Å; F251-L255 HydrophobicContact CE1-CD1 3.27Å; F251-L255 HydrophobicContact CE1-CG 3.96Å; F251-L255 HydrophobicContact CE2-CD1 4.46Å; F251-L255 HydrophobicContact CE2-CG 4.35Å; F251-L255 HydrophobicContact CZ-CD1 3.59Å; F251-L255 HydrophobicContact CZ-CD2 4.18Å; F251-L255 HydrophobicContact CZ-CG 3.91Å; F251-L255 PolarHBondContact O-N 3.21Å
252I87.7Confident81.6Confident23 Ų2354.8 Ų54.812%0.11827%0.271CS..Hα-helixtrans-59.1-41174.7-64.2-60000111.1L138 V142 F248 L249 Y254 L255 V256L138-I252 HydrophobicContact CD1-CD1 4.11Å; L138-I252 HydrophobicContact CD1-CG1 4.29Å; V142-I252 HydrophobicContact CG2-CB 4.23Å; V142-I252 HydrophobicContact CG2-CG2 4.05Å; F248-I252 HydrophobicContact CD1-CG1 4.46Å; F248-I252 HydrophobicContact CE1-CD1 4.43Å; F248-I252 HydrophobicContact CE1-CG1 4.16Å; F248-I252 HydrophobicContact CE2-CD1 4.48Å; F248-I252 HydrophobicContact CZ-CD1 4.08Å; F248-I252 HydrophobicContact CZ-CG1 4.25Å; F248-I252 WeakPolarHBondContact O-CG1 3.49Å; F248-I252 PolarHBondContact O-N 3.36Å; L249-I252 PolarHBondContact O-N 3.45Å; I252-Y254 VanDerWaalsContact C-N 3.27Å; I252-Y254 PolarHBondContact O-N 2.91Å; I252-L255 PolarHBondContact O-N 3.04Å; I252-V256 HydrophobicContact CG2-CG2 3.95Å; I252-V256 WeakPolarHBondContact O-CB 3.19Å; I252-V256 WeakPolarHBondContact O-CG2 3.26Å; I252-V256 PolarHBondContact O-N 3.12Å
253R89.5Confident83.3Confident8 Ų852.9 Ų52.93%0.0327%0.265CS..Hα-helixtrans-53.5-45.9173.7174.5-175-61.9133.3-4.1111.7T35 M39 V142 D146 L249 D250 F251 A257T35-R253 HydrophobicContact CG2-CG 3.21Å; M39-R253 HydrophobicContact CG-CG 4.28Å; M39-R253 HydrophobicContact SD-CB 3.75Å; M39-R253 HydrophobicContact SD-CG 3.55Å; M39-R253 VanDerWaalsContact SD-CG 3.55Å; V142-R253 HydrophobicContact CG1-CB 4.27Å; D146-R253 IonicContact OD1-CZ 3.91Å; D146-R253 IonicContact OD1-NH2 3.75Å; D146-R253 PolarHBondContact OD1-NH2 3.35Å; D146-R253 IonicContact OD2-CZ 3.53Å; D146-R253 IonicContact OD2-NE 2.67Å; D146-R253 PolarHBondContact OD2-NE 2.98Å; D146-R253 IonicContact OD2-NH2 3.44Å; D146-R253 PolarHBondContact OD2-NH2 3.39Å; L249-R253 WeakPolarHBondContact O-CB 3.43Å; L249-R253 PolarHBondContact O-N 2.82Å; D250-R253 WeakPolarHBondContact O-CB 3.38Å; D250-R253 IonicContact OD1-CZ 2.78Å; D250-R253 IonicContact OD1-NH1 3.82Å; D250-R253 PolarHBondContact OD1-NH1 3.24Å; D250-R253 IonicContact OD1-NH2 2.9Å; D250-R253 IonicContact OD2-NH1 2.71Å; F251-R253 VanDerWaalsContact C-N 3.28Å; F251-R253 PolarHBondContact O-N 3.23Å; R253-A257 WeakPolarHBondContact O-CB 3.49Å; R253-A257 PolarHBondContact O-N 3.38Å
254Y88.3Confident85.1Confident23 Ų2349.2 Ų49.29%0.0925%0.252CS..Iπ-helixtrans-64.5-45.7177.9172-101000112.1Q17 L20 D250 F251 I252 V256 W258 Q259 I262Q17-Y254 HydrophobicContact CG-CE2 4.04Å; Q17-Y254 WeakPolarHBondContact CG-OH 3.47Å; Q17-Y254 PolarHBondContact NE2-OH 2.89Å; Q17-Y254 VanDerWaalsContact NE2-OH 3.15Å; L20-Y254 HydrophobicContact CD1-CD2 4.04Å; L20-Y254 HydrophobicContact CD1-CE2 4Å; D250-Y254 PolarHBondContact O-N 2.99Å; F251-Y254 WeakPolarHBondContact O-CB 3.16Å; F251-Y254 PolarHBondContact O-N 3.01Å; F251-Y254 VanDerWaalsContact O-N 3.07Å; I252-Y254 VanDerWaalsContact C-N 3.27Å; I252-Y254 PolarHBondContact O-N 2.91Å; Y254-V256 PolarHBondContact O-N 3.49Å; Y254-W258 HydrophobicContact CD2-CB 3.71Å; Y254-W258 HydrophobicContact CD2-CG 4.45Å; Y254-W258 HydrophobicContact CE2-CB 4.03Å; Y254-W258 PolarHBondContact O-N 2.99Å; Y254-Q259 HydrophobicContact CD1-CG 4.27Å; Y254-Q259 HydrophobicContact CE1-CG 3.79Å; Y254-Q259 VanDerWaalsContact CE1-NE2 3.29Å; Y254-Q259 PolarHBondContact O-N 3.24Å; Y254-Q259 PolarHBondContact OH-NE2 3.5Å; Y254-I262 HydrophobicContact CE2-CD1 4.13Å
255L87.6Confident86.7Confident73 Ų7349 Ų4938%0.38225%0.247SC..Iπ-helixtrans-63.4-39178.7-72.9-178.1000113.3F251 I252 Q259F251-L255 HydrophobicContact CD1-CD1 3.94Å; F251-L255 HydrophobicContact CD1-CG 4.43Å; F251-L255 HydrophobicContact CE1-CD1 3.27Å; F251-L255 HydrophobicContact CE1-CG 3.96Å; F251-L255 HydrophobicContact CE2-CD1 4.46Å; F251-L255 HydrophobicContact CE2-CG 4.35Å; F251-L255 HydrophobicContact CZ-CD1 3.59Å; F251-L255 HydrophobicContact CZ-CD2 4.18Å; F251-L255 HydrophobicContact CZ-CG 3.91Å; F251-L255 PolarHBondContact O-N 3.21Å; I252-L255 PolarHBondContact O-N 3.04Å; L255-Q259 HydrophobicContact CD2-CG 4.13Å; L255-Q259 WeakPolarHBondContact O-CB 3.48Å
256V88.9Confident87.5Confident27 Ų2747.4 Ų47.416%0.16424%0.242CC..Iπ-helixtrans-86.2-39.6-174.1176.40000112.2P43 Y139 I252 Y254 P260P43-V256 HydrophobicContact CG-CG1 3.76Å; Y139-V256 HydrophobicContact CD2-CG1 4.44Å; I252-V256 HydrophobicContact CG2-CG2 3.95Å; I252-V256 WeakPolarHBondContact O-CB 3.19Å; I252-V256 WeakPolarHBondContact O-CG2 3.26Å; I252-V256 PolarHBondContact O-N 3.12Å; Y254-V256 PolarHBondContact O-N 3.49Å; V256-P260 WeakPolarHBondContact O-CG 3.38Å
257A89.8Confident88.3Confident0 Ų051.5 Ų51.50%026%0.255CS..Iπ-helixtrans-94-50.3-177.400000113.3T35 W38 M39 I42 R253 V261T35-A257 HydrophobicContact CG2-CB 3.89Å; W38-A257 HydrophobicContact CB-CB 3.91Å; M39-A257 HydrophobicContact CG-CB 3.63Å; I42-A257 VanDerWaalsContact CD1-O 3.24Å; I42-A257 WeakPolarHBondContact CD1-O 3.3Å; R253-A257 WeakPolarHBondContact O-CB 3.49Å; R253-A257 PolarHBondContact O-N 3.38Å; A257-V261 VanDerWaalsContact O-CG2 3.27Å; A257-V261 WeakPolarHBondContact O-CG2 3.4Å
258W90.7Very high88.9Confident26 Ų2647.1 Ų47.110%0.09825%0.245CC..Iπ-helixtrans-90.4-33.4-165.2-73.4108.8000113.6L20 W23 T35 Y254 V261 I262L20-W258 HydrophobicContact CD1-CB 3.74Å; L20-W258 HydrophobicContact CD1-CD2 3.65Å; L20-W258 HydrophobicContact CD1-CE3 4.06Å; L20-W258 HydrophobicContact CD1-CG 3.48Å; L20-W258 VanDerWaalsContact CD1-CG 3.48Å; L20-W258 HydrophobicContact CD2-CD2 3.45Å; L20-W258 VanDerWaalsContact CD2-CD2 3.45Å; L20-W258 HydrophobicContact CD2-CE3 3.73Å; L20-W258 HydrophobicContact CD2-CG 4.07Å; L20-W258 HydrophobicContact CD2-CH2 3.84Å; L20-W258 HydrophobicContact CD2-CZ2 3.52Å; L20-W258 HydrophobicContact CD2-CZ3 3.92Å; L20-W258 HydrophobicContact CG-CD2 4.19Å; L20-W258 HydrophobicContact CG-CE3 4.44Å; L20-W258 HydrophobicContact CG-CG 4.44Å; W23-W258 HydrophobicContact CE3-CH2 4.48Å; W23-W258 HydrophobicContact CE3-CZ2 4.39Å; W23-W258 HydrophobicContact CH2-CH2 4.49Å; W23-W258 AromaticContact CZ3-CH2 3.64Å; W23-W258 HydrophobicContact CZ3-CH2 3.64Å; W23-W258 AromaticContact CZ3-CZ2 3.71Å; W23-W258 HydrophobicContact CZ3-CZ2 3.71Å; T35-W258 VanDerWaalsContact CG2-NE1 3.28Å; T35-W258 PolarHBondContact OG1-NE1 3.09Å; T35-W258 VanDerWaalsContact OG1-NE1 3.15Å; Y254-W258 HydrophobicContact CD2-CB 3.71Å; Y254-W258 HydrophobicContact CD2-CG 4.45Å; Y254-W258 HydrophobicContact CE2-CB 4.03Å; Y254-W258 PolarHBondContact O-N 2.99Å; W258-V261 HydrophobicContact CE3-CB 4.32Å; W258-V261 HydrophobicContact CE3-CG1 4.24Å; W258-V261 HydrophobicContact CZ3-CG1 4.2Å; W258-V261 PolarHBondContact O-N 3.18Å; W258-I262 WeakPolarHBondContact O-CB 3.45Å; W258-I262 VanDerWaalsContact O-CG1 3.25Å; W258-I262 WeakPolarHBondContact O-CG1 3.13Å; W258-I262 PolarHBondContact O-N 3.43Å
259Q89.8Confident89.4Confident48 Ų4845.1 Ų45.122%0.22424%0.239CC..Hα-helixtrans-58.9-49.1174.7-81.4-71.3-9.100112.7Y254 L255 V261 I262 V263Y254-Q259 HydrophobicContact CD1-CG 4.27Å; Y254-Q259 HydrophobicContact CE1-CG 3.79Å; Y254-Q259 VanDerWaalsContact CE1-NE2 3.29Å; Y254-Q259 PolarHBondContact O-N 3.24Å; Y254-Q259 PolarHBondContact OH-NE2 3.5Å; L255-Q259 HydrophobicContact CD2-CG 4.13Å; L255-Q259 WeakPolarHBondContact O-CB 3.48Å; Q259-V261 VanDerWaalsContact C-N 3.31Å; Q259-V261 PolarHBondContact O-N 3.23Å; Q259-I262 PolarHBondContact O-N 2.78Å; Q259-V263 WeakPolarHBondContact O-CB 3.43Å; Q259-V263 VanDerWaalsContact O-CG2 3.31Å; Q259-V263 WeakPolarHBondContact O-CG2 3.33Å; Q259-V263 PolarHBondContact O-N 3.19Å
260P90.5Very high89.8Confident35 Ų3545.6 Ų45.623%0.22724%0.242CC..Hα-helixtrans-59-41.2175.3-26.636.7000112.8I42 V256 V263 T264I42-P260 HydrophobicContact CD1-CB 4.4Å; I42-P260 HydrophobicContact CG2-CB 4.25Å; I42-P260 HydrophobicContact CG2-CG 4.18Å; V256-P260 WeakPolarHBondContact O-CG 3.38Å; P260-V263 PolarHBondContact O-N 3.23Å; P260-T264 WeakPolarHBondContact O-CB 3.35Å; P260-T264 PolarHBondContact O-N 3.42Å; P260-T264 PolarHBondContact O-OG1 3.17Å
261V90.3Very high90.2Very high42 Ų4250.7 Ų50.726%0.25526%0.263SS..Hα-helixtrans-62.4-45.7177.7172.70000111.3W38 I42 A257 W258 Q259 F265W38-V261 HydrophobicContact CD2-CG2 4.24Å; W38-V261 HydrophobicContact CE3-CG2 4.36Å; I42-V261 HydrophobicContact CD1-CG2 3.98Å; A257-V261 VanDerWaalsContact O-CG2 3.27Å; A257-V261 WeakPolarHBondContact O-CG2 3.4Å; W258-V261 HydrophobicContact CE3-CB 4.32Å; W258-V261 HydrophobicContact CE3-CG1 4.24Å; W258-V261 HydrophobicContact CZ3-CG1 4.2Å; W258-V261 PolarHBondContact O-N 3.18Å; Q259-V261 VanDerWaalsContact C-N 3.31Å; Q259-V261 PolarHBondContact O-N 3.23Å; V261-F265 VanDerWaalsContact O-CB 3.29Å; V261-F265 WeakPolarHBondContact O-CB 3.42Å; V261-F265 PolarHBondContact O-N 3.42Å
262I91.3Very high90.5Very high14 Ų1451 Ų517%0.07227%0.274CS..Hα-helixtrans-65-44.9178.6-67.2165.2000110.5A12 V13 Y254 W258 Q259 F265 V266A12-I262 HydrophobicContact CB-CG2 4.28Å; V13-I262 HydrophobicContact CG2-CG2 3.92Å; Y254-I262 HydrophobicContact CE2-CD1 4.13Å; W258-I262 WeakPolarHBondContact O-CB 3.45Å; W258-I262 VanDerWaalsContact O-CG1 3.25Å; W258-I262 WeakPolarHBondContact O-CG1 3.13Å; W258-I262 PolarHBondContact O-N 3.43Å; Q259-I262 PolarHBondContact O-N 2.78Å; I262-F265 WeakPolarHBondContact O-CB 3.34Å; I262-F265 PolarHBondContact O-N 3.05Å; I262-V266 HydrophobicContact CG2-CG2 4.44Å; I262-V266 VanDerWaalsContact O-CG2 3.3Å; I262-V266 WeakPolarHBondContact O-CG2 3.48Å; I262-V266 PolarHBondContact O-N 3.39Å
263V90.8Very high90.6Very high54 Ų5454.8 Ų54.833%0.32729%0.294SS..Hα-helixtrans-65.2-44.8-180172.10000111.2L9 Q259 P260 F265 V266 Q267L9-V263 HydrophobicContact CD1-CG2 4.38Å; Q259-V263 WeakPolarHBondContact O-CB 3.43Å; Q259-V263 VanDerWaalsContact O-CG2 3.31Å; Q259-V263 WeakPolarHBondContact O-CG2 3.33Å; Q259-V263 PolarHBondContact O-N 3.19Å; P260-V263 PolarHBondContact O-N 3.23Å; V263-F265 VanDerWaalsContact C-N 3.3Å; V263-F265 PolarHBondContact O-N 3.45Å; V263-V266 PolarHBondContact O-N 3.27Å; V263-Q267 WeakPolarHBondContact O-CG 3.45Å; V263-Q267 PolarHBondContact O-N 3.49Å
264T90.8Very high90.4Very high88 Ų8857.2 Ų57.254%0.5432%0.321SS..Hα-helixtrans-62.9-38.2175.6-62.50000111.6P260 Q267 G268P260-T264 WeakPolarHBondContact O-CB 3.35Å; P260-T264 PolarHBondContact O-N 3.42Å; P260-T264 PolarHBondContact O-OG1 3.17Å; T264-Q267 PolarHBondContact O-N 3.29Å; T264-G268 PolarHBondContact O-N 2.68Å
265F92.1Very high90.1Very high136 Ų13657.1 Ų57.160%0.59632%0.322SS*.Hα-helixtrans-61.9-46.9173.1173.8-100.6000111.8V261 I262 V263 Q267 G268 V269V261-F265 VanDerWaalsContact O-CB 3.29Å; V261-F265 WeakPolarHBondContact O-CB 3.42Å; V261-F265 PolarHBondContact O-N 3.42Å; I262-F265 WeakPolarHBondContact O-CB 3.34Å; I262-F265 PolarHBondContact O-N 3.05Å; V263-F265 VanDerWaalsContact C-N 3.3Å; V263-F265 PolarHBondContact O-N 3.45Å; F265-Q267 PolarHBondContact O-N 2.67Å; F265-G268 PolarHBondContact O-N 3.29Å; F265-V269 HydrophobicContact CD1-CG2 4.42Å; F265-V269 HydrophobicContact CE1-CG2 3.96Å; F265-V269 HydrophobicContact CE2-CG2 4.27Å; F265-V269 HydrophobicContact CZ-CG2 3.88Å; F265-V269 WeakPolarHBondContact O-CG2 3.38Å; F265-V269 PolarHBondContact O-N 3.37Å
266V92.1Very high89.2Confident6 Ų661 Ų614%0.03634%0.338CS..Hα-helixtrans-63.5-40.3178.6169.20000111.9I8 L9 A12 I262 V263 G268 V269 N270I8-V266 HydrophobicContact CG2-CG1 4.13Å; L9-V266 HydrophobicContact CB-CG1 4.11Å; L9-V266 HydrophobicContact CD1-CB 4.24Å; L9-V266 HydrophobicContact CD1-CG1 4.07Å; L9-V266 HydrophobicContact CD1-CG2 4.06Å; A12-V266 HydrophobicContact CB-CG2 3.26Å; I262-V266 HydrophobicContact CG2-CG2 4.44Å; I262-V266 VanDerWaalsContact O-CG2 3.3Å; I262-V266 WeakPolarHBondContact O-CG2 3.48Å; I262-V266 PolarHBondContact O-N 3.39Å; V263-V266 PolarHBondContact O-N 3.27Å; V266-G268 VanDerWaalsContact C-N 3.34Å; V266-G268 PolarHBondContact O-N 3.45Å; V266-V269 PolarHBondContact O-N 2.91Å; V266-N270 PolarHBondContact O-N 3.44Å; V266-N270 PolarHBondContact O-ND2 3.1Å
267Q90.4Very high89.2Confident107 Ų10762.8 Ų62.850%0.535%0.347SS..Hα-helixtrans-58.8-46.4173-75.2176.4-26.300110.9V263 T264 F265 V269 N270 F271V263-Q267 WeakPolarHBondContact O-CG 3.45Å; V263-Q267 PolarHBondContact O-N 3.49Å; T264-Q267 PolarHBondContact O-N 3.29Å; F265-Q267 PolarHBondContact O-N 2.67Å; Q267-V269 VanDerWaalsContact C-N 3.31Å; Q267-V269 PolarHBondContact O-N 2.73Å; Q267-N270 PolarHBondContact O-N 3.35Å; Q267-F271 WeakPolarHBondContact O-CB 3.49Å; Q267-F271 PolarHBondContact O-N 3.03Å
268G92.5Very high89.2Confident36 Ų3666.1 Ų66.137%0.37137%0.365SS..Hα-helixtrans-58.1-40.4174.500000113.4T264 F265 V266 V272T264-G268 PolarHBondContact O-N 2.68Å; F265-G268 PolarHBondContact O-N 3.29Å; V266-G268 VanDerWaalsContact C-N 3.34Å; V266-G268 PolarHBondContact O-N 3.45Å; G268-V272 VanDerWaalsContact O-CG2 3.29Å; G268-V272 WeakPolarHBondContact O-CG2 2.78Å; G268-V272 PolarHBondContact O-N 3.18Å; G268-V272 VanDerWaalsContact O-N 3.11Å
269V91.7Very high89.1Confident45 Ų4568.3 Ų68.327%0.27338%0.38SS..Hα-helixtrans-66.5-45.5176.2172.10000111.6I8 F265 V266 Q267 F271 V272 L273I8-V269 HydrophobicContact CG2-CG1 4.23Å; F265-V269 HydrophobicContact CD1-CG2 4.42Å; F265-V269 HydrophobicContact CE1-CG2 3.96Å; F265-V269 HydrophobicContact CE2-CG2 4.27Å; F265-V269 HydrophobicContact CZ-CG2 3.88Å; F265-V269 WeakPolarHBondContact O-CG2 3.38Å; F265-V269 PolarHBondContact O-N 3.37Å; V266-V269 PolarHBondContact O-N 2.91Å; Q267-V269 VanDerWaalsContact C-N 3.31Å; Q267-V269 PolarHBondContact O-N 2.73Å; V269-F271 VanDerWaalsContact C-N 3.34Å; V269-F271 PolarHBondContact O-N 3.07Å; V269-V272 PolarHBondContact O-N 2.89Å; V269-L273 HydrophobicContact CG1-CD1 3.76Å; V269-L273 HydrophobicContact CG1-CG 4.36Å; V269-L273 WeakPolarHBondContact O-CB 3.38Å; V269-L273 VanDerWaalsContact O-CG 3.31Å; V269-L273 WeakPolarHBondContact O-CG 3.34Å; V269-L273 PolarHBondContact O-N 2.72Å
270N91Very high89.1Confident12 Ų1269.5 Ų69.56%0.06439%0.389CS..Hα-helixtrans-63.8-40.2179.1-73.2-27.7000111.8I8 V266 Q267 L273 G274 L275 E276I8-N270 WeakPolarHBondContact CD1-OD1 3.4Å; V266-N270 PolarHBondContact O-N 3.44Å; V266-N270 PolarHBondContact O-ND2 3.1Å; Q267-N270 PolarHBondContact O-N 3.35Å; N270-L273 CarbonylContact O-C 3.47Å; N270-L273 PolarHBondContact O-N 3.15Å; N270-G274 PolarHBondContact O-N 3.38Å; N270-L275 HydrophobicContact CB-CB 4.33Å; N270-L275 PolarHBondContact O-N 3.18Å; N270-E276 HydrophobicContact CB-CG 4.28Å
271F91.4Very high89Confident147 Ų14771.6 Ų71.665%0.64540%0.399SS*.Hα-helixtrans-58.1-47.8173.4-179.3-100.8000111.7Q267 V269 L273 G274 E276Q267-F271 WeakPolarHBondContact O-CB 3.49Å; Q267-F271 PolarHBondContact O-N 3.03Å; V269-F271 VanDerWaalsContact C-N 3.34Å; V269-F271 PolarHBondContact O-N 3.07Å; F271-L273 VanDerWaalsContact C-N 3.3Å; F271-L273 PolarHBondContact O-N 2.7Å; F271-G274 PolarHBondContact O-N 3.27Å; F271-G274 VanDerWaalsContact O-N 3.14Å; F271-E276 WeakPolarHBondContact CD2-OE2 3.49Å
272V92.4Very high88.9Confident121 Ų12173.6 Ų73.673%0.73341%0.409SS*.Hα-helixtrans-64.8-34.4178.5170.90000112.1G268 V269 G274G268-V272 VanDerWaalsContact O-CG2 3.29Å; G268-V272 WeakPolarHBondContact O-CG2 2.78Å; G268-V272 PolarHBondContact O-N 3.18Å; G268-V272 VanDerWaalsContact O-N 3.11Å; V269-V272 PolarHBondContact O-N 2.89Å; V272-G274 VanDerWaalsContact C-N 3.27Å; V272-G274 PolarHBondContact O-N 3.46Å
273L90Very high88.7Confident103 Ų10377.9 Ų77.954%0.53943%0.433SS..THydrogen-bonded Turntrans-81.2-3.4177.4-67174.9000113.6I8 V269 N270 F271 L275I8-L273 HydrophobicContact CD1-CD1 3.91Å; V269-L273 HydrophobicContact CG1-CD1 3.76Å; V269-L273 HydrophobicContact CG1-CG 4.36Å; V269-L273 WeakPolarHBondContact O-CB 3.38Å; V269-L273 VanDerWaalsContact O-CG 3.31Å; V269-L273 WeakPolarHBondContact O-CG 3.34Å; V269-L273 PolarHBondContact O-N 2.72Å; N270-L273 CarbonylContact O-C 3.47Å; N270-L273 PolarHBondContact O-N 3.15Å; F271-L273 VanDerWaalsContact C-N 3.3Å; F271-L273 PolarHBondContact O-N 2.7Å; L273-L275 HydrophobicContact CB-CD1 3.71Å; L273-L275 HydrophobicContact CB-CG 3.87Å; L273-L275 HydrophobicContact CD1-CD1 3.86Å; L273-L275 HydrophobicContact CG-CD1 4.46Å; L273-L275 PolarHBondContact O-N 3.26Å
274G86.7Confident88.6Confident58 Ų5879.7 Ų79.760%0.59844%0.441SS*.THydrogen-bonded Turntrans63.530.3-176.800000113.2N270 F271 V272N270-G274 PolarHBondContact O-N 3.38Å; F271-G274 PolarHBondContact O-N 3.27Å; F271-G274 VanDerWaalsContact O-N 3.14Å; V272-G274 VanDerWaalsContact C-N 3.27Å; V272-G274 PolarHBondContact O-N 3.46Å
275L80.9Confident88.4Confident21 Ų2179 Ų7911%0.1143%0.433CS..  trans-92.1-3.9-177.4-71.4169.8000113.4Q4 M5 I8 N270 L273Q4-L275 HydrophobicContact CB-CD1 4.48Å; Q4-L275 HydrophobicContact CB-CD2 4.32Å; M5-L275 WeakPolarHBondContact CE-O 3.35Å; M5-L275 HydrophobicContact CG-CB 4.05Å; I8-L275 HydrophobicContact CD1-CD1 3.47Å; I8-L275 VanDerWaalsContact CD1-CD1 3.47Å; N270-L275 HydrophobicContact CB-CB 4.33Å; N270-L275 PolarHBondContact O-N 3.18Å; L273-L275 HydrophobicContact CB-CD1 3.71Å; L273-L275 HydrophobicContact CB-CG 3.87Å; L273-L275 HydrophobicContact CD1-CD1 3.86Å; L273-L275 HydrophobicContact CG-CD1 4.46Å; L273-L275 PolarHBondContact O-N 3.26Å
276E69.4Low88Confident156 Ų15673.8 Ų73.873%0.72942%0.418SS*.  trans-74.40178.5-62.6-168.1165.900113.5N270 F271N270-E276 HydrophobicContact CB-CG 4.28Å; F271-E276 WeakPolarHBondContact CD2-OE2 3.49Å

Retrieved 276 of 276 residues in 158.4 ms (Link to these results)

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