A0A077ZCF2_TRITR Loading...

AP 3 complex subunit beta 2

AlphaFold DB , UniProt , Accession A0A077ZCF2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 747 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
1M46.8Very low71.9Confident194 Ų19485.5 Ų85.596%0.95647%0.471SS*.  0-53.80-88.1-165.7-96.600113.9G3 T4 I5M1-G3 PolarHBondContact O-N 2.95Å; M1-T4 WeakPolarHBondContact CA-OG1 3.42Å; M1-T4 PolarHBondContact O-N 3.2Å; M1-T4 PolarHBondContact O-OG1 2.87Å; M1-I5 WeakPolarHBondContact O-CG1 3.3Å; M1-I5 PolarHBondContact O-N 2.94Å; M1-I5 VanDerWaalsContact O-N 3.08Å
2A55.4Low73.4Confident70 Ų7081.1 Ų81.158%0.57945%0.454SS*.Hα-helixtrans-60-40.9-17600000114K6A2-K6 WeakPolarHBondContact O-CG 2.95Å; A2-K6 PolarHBondContact O-N 2.97Å
3G57.4Low74.7Confident43 Ų4380 Ų8044%0.44345%0.45SS..Hα-helixtrans-65.9-39.9176.800000113.8M1 K6 N7M1-G3 PolarHBondContact O-N 2.95Å; G3-K6 PolarHBondContact O-N 3.27Å; G3-N7 PolarHBondContact O-N 3.37Å; G3-N7 PolarHBondContact O-OD1 3.13Å
4T58.9Low75.8Confident59 Ų5974.6 Ų74.636%0.36242%0.421SS..Hα-helixtrans-67.4-38.2178.752.40000112M1 N7 F8 Y40M1-T4 WeakPolarHBondContact CA-OG1 3.42Å; M1-T4 PolarHBondContact O-N 3.2Å; M1-T4 PolarHBondContact O-OG1 2.87Å; T4-N7 PolarHBondContact O-N 2.96Å; T4-F8 PolarHBondContact O-N 3.26Å; T4-Y40 HydrophobicContact CG2-CE1 4.14Å; T4-Y40 WeakPolarHBondContact CG2-OH 3.29Å
5I61.3Low76.8Confident102 Ų10272 Ų7252%0.52340%0.404SS..Hα-helixtrans-62.5-44.2174.1-65.3165000110.2M1 N7 F8 V9M1-I5 WeakPolarHBondContact O-CG1 3.3Å; M1-I5 PolarHBondContact O-N 2.94Å; M1-I5 VanDerWaalsContact O-N 3.08Å; I5-N7 PolarHBondContact O-N 2.72Å; I5-F8 PolarHBondContact O-N 2.83Å; I5-V9 HydrophobicContact CG2-CG2 4.4Å; I5-V9 VanDerWaalsContact O-CG2 3.26Å; I5-V9 WeakPolarHBondContact O-CG2 3.28Å; I5-V9 PolarHBondContact O-N 3.34Å
6K78Confident77.6Confident149 Ų14973.5 Ų73.565%0.64841%0.41SS*.Hα-helixtrans-59.8-45.7177.2-71.5176.1-178.4-175.60112.1A2 G3 F8 V9 V10A2-K6 WeakPolarHBondContact O-CG 2.95Å; A2-K6 PolarHBondContact O-N 2.97Å; G3-K6 PolarHBondContact O-N 3.27Å; K6-F8 PolarHBondContact O-N 2.71Å; K6-V9 PolarHBondContact O-N 3.09Å; K6-V10 WeakPolarHBondContact O-CG2 3.25Å; K6-V10 PolarHBondContact O-N 3.45Å; K6-V10 VanDerWaalsContact O-N 3.1Å
7N83.3Confident78.4Confident32 Ų3274.1 Ų74.117%0.17141%0.405CS..Hα-helixtrans-63.6-43180-66-12.3000112.1G3 T4 I5 V10 L11 L36 S39 V43G3-N7 PolarHBondContact O-N 3.37Å; G3-N7 PolarHBondContact O-OD1 3.13Å; T4-N7 PolarHBondContact O-N 2.96Å; I5-N7 PolarHBondContact O-N 2.72Å; N7-V10 PolarHBondContact O-N 2.92Å; N7-L11 PolarHBondContact O-N 2.83Å; N7-L36 HydrophobicContact CB-CD2 4.03Å; N7-L36 WeakPolarHBondContact OD1-CD2 3.14Å; N7-S39 PolarHBondContact ND2-OG 2.71Å; N7-V43 HydrophobicContact CB-CG1 4.45Å
8F83Confident79Confident149 Ų14971.6 Ų71.665%0.65439%0.389SS*.Hα-helixtrans-62-44.9177.4178.8-98.3000111.9T4 I5 K6 V10 L11 A12T4-F8 PolarHBondContact O-N 3.26Å; I5-F8 PolarHBondContact O-N 2.83Å; K6-F8 PolarHBondContact O-N 2.71Å; F8-V10 VanDerWaalsContact C-N 3.33Å; F8-V10 PolarHBondContact O-N 3.37Å; F8-L11 PolarHBondContact O-N 2.74Å; F8-A12 WeakPolarHBondContact O-CB 3.34Å; F8-A12 PolarHBondContact O-N 3.01Å
9V88.6Confident79.5Confident77 Ų7772 Ų7247%0.46739%0.385SS..Hα-helixtrans-60.9-42.81781730000111I5 K6 L11 A12 V13I5-V9 HydrophobicContact CG2-CG2 4.4Å; I5-V9 VanDerWaalsContact O-CG2 3.26Å; I5-V9 WeakPolarHBondContact O-CG2 3.28Å; I5-V9 PolarHBondContact O-N 3.34Å; K6-V9 PolarHBondContact O-N 3.09Å; V9-L11 PolarHBondContact O-N 3.26Å; V9-A12 PolarHBondContact O-N 2.73Å; V9-V13 HydrophobicContact CG1-CG2 4.36Å; V9-V13 WeakPolarHBondContact O-CB 3.31Å; V9-V13 VanDerWaalsContact O-CG2 3.26Å; V9-V13 WeakPolarHBondContact O-CG2 3.49Å; V9-V13 PolarHBondContact O-N 2.62Å
10V89.6Confident79.9Confident45 Ų4574.5 Ų74.527%0.27340%0.398SS..Hα-helixtrans-63-43.9177.7175.10000111.4K6 N7 F8 V13 A14 P32 L36K6-V10 WeakPolarHBondContact O-CG2 3.25Å; K6-V10 PolarHBondContact O-N 3.45Å; K6-V10 VanDerWaalsContact O-N 3.1Å; N7-V10 PolarHBondContact O-N 2.92Å; F8-V10 VanDerWaalsContact C-N 3.33Å; F8-V10 PolarHBondContact O-N 3.37Å; V10-V13 PolarHBondContact O-N 3.3Å; V10-A14 WeakPolarHBondContact O-CB 3.36Å; V10-A14 PolarHBondContact O-N 3.45Å; V10-P32 HydrophobicContact CG1-CB 3.78Å; V10-L36 HydrophobicContact CB-CD1 4.11Å; V10-L36 HydrophobicContact CB-CD2 4.13Å; V10-L36 HydrophobicContact CB-CG 4.45Å; V10-L36 HydrophobicContact CG1-CD1 3.82Å; V10-L36 HydrophobicContact CG1-CD2 4.19Å; V10-L36 HydrophobicContact CG1-CG 4.06Å; V10-L36 HydrophobicContact CG2-CD2 4.46Å
11L88.9Confident80.3Confident21 Ų2172 Ų7211%0.1139%0.388CS..Hα-helixtrans-65.6-41.3178.3-169.366.1000111.8N7 F8 V9 A14 Q15 L33 I46 T50N7-L11 PolarHBondContact O-N 2.83Å; F8-L11 PolarHBondContact O-N 2.74Å; V9-L11 PolarHBondContact O-N 3.26Å; L11-A14 PolarHBondContact O-N 2.7Å; L11-Q15 VanDerWaalsContact O-CB 3.31Å; L11-Q15 WeakPolarHBondContact O-CB 3.41Å; L11-Q15 PolarHBondContact O-N 2.83Å; L11-L33 HydrophobicContact CD1-CD2 3.91Å; L11-I46 HydrophobicContact CD2-CG2 3.92Å; L11-T50 HydrophobicContact CD1-CG2 4.11Å
12A89.2Confident82.2Confident32 Ų3266.5 Ų66.526%0.26437%0.366SS..Hα-helixtrans-64.9-38.8176.300000112.3F8 V9 Q15 L16F8-A12 WeakPolarHBondContact O-CB 3.34Å; F8-A12 PolarHBondContact O-N 3.01Å; V9-A12 PolarHBondContact O-N 2.73Å; A12-Q15 WeakPolarHBondContact O-CB 3.4Å; A12-Q15 PolarHBondContact O-N 3.28Å; A12-L16 WeakPolarHBondContact O-CB 3.27Å; A12-L16 PolarHBondContact O-N 2.63Å
13V90.6Very high83.6Confident67 Ų6769.2 Ų69.241%0.40637%0.367SS..Hα-helixtrans-68.2-41.6174172.90000110.8V9 V10 Q15 L16 Y17V9-V13 HydrophobicContact CG1-CG2 4.36Å; V9-V13 WeakPolarHBondContact O-CB 3.31Å; V9-V13 VanDerWaalsContact O-CG2 3.26Å; V9-V13 WeakPolarHBondContact O-CG2 3.49Å; V9-V13 PolarHBondContact O-N 2.62Å; V10-V13 PolarHBondContact O-N 3.3Å; V13-Q15 VanDerWaalsContact C-N 3.31Å; V13-Q15 PolarHBondContact O-N 2.75Å; V13-L16 WeakPolarHBondContact O-CB 3.47Å; V13-L16 PolarHBondContact O-N 2.74Å; V13-Y17 HydrophobicContact CG1-CD2 3.86Å; V13-Y17 HydrophobicContact CG1-CE2 3.84Å; V13-Y17 VanDerWaalsContact O-CD2 3.3Å; V13-Y17 WeakPolarHBondContact O-CD2 3.32Å; V13-Y17 PolarHBondContact O-N 3.28Å
14A90.9Very high84.9Confident5 Ų574.1 Ų74.14%0.04138%0.383CS..Hα-helixtrans-61.6-41.5175.700000111.7V10 L11 Y17 Y18 I29 L33V10-A14 WeakPolarHBondContact O-CB 3.36Å; V10-A14 PolarHBondContact O-N 3.45Å; L11-A14 PolarHBondContact O-N 2.7Å; A14-Y17 PolarHBondContact O-N 2.97Å; A14-Y18 WeakPolarHBondContact O-CB 3.34Å; A14-Y18 PolarHBondContact O-N 3.35Å; A14-I29 HydrophobicContact CB-CB 4.11Å; A14-I29 HydrophobicContact CB-CD1 4.41Å; A14-I29 HydrophobicContact CB-CG2 4.42Å; A14-L33 HydrophobicContact CB-CD1 4.43Å; A14-L33 HydrophobicContact CB-CD2 3.76Å; A14-L33 HydrophobicContact CB-CG 4.11Å
15Q90.2Very high86.3Confident35 Ų3576.2 Ų76.216%0.16439%0.389CS..Hα-helixtrans-60.1-46.7172.8-178.5-16745.100111.3L11 A12 V13 Y17 Y18 Y19 Q312 L313L11-Q15 VanDerWaalsContact O-CB 3.31Å; L11-Q15 WeakPolarHBondContact O-CB 3.41Å; L11-Q15 PolarHBondContact O-N 2.83Å; A12-Q15 WeakPolarHBondContact O-CB 3.4Å; A12-Q15 PolarHBondContact O-N 3.28Å; V13-Q15 VanDerWaalsContact C-N 3.31Å; V13-Q15 PolarHBondContact O-N 2.75Å; Q15-Y17 VanDerWaalsContact C-N 3.35Å; Q15-Y17 PolarHBondContact O-N 3.34Å; Q15-Y18 PolarHBondContact O-N 3.18Å; Q15-Y19 HydrophobicContact CG-CD2 3.94Å; Q15-Y19 HydrophobicContact CG-CE2 3.77Å; Q15-Y19 WeakPolarHBondContact O-CD2 3.44Å; Q15-Y19 PolarHBondContact O-N 3.08Å; Q15-Y19 VanDerWaalsContact O-N 3.15Å; Q15-Q312 HydrophobicContact CG-CG 4.27Å; Q15-L313 VanDerWaalsContact CD-O 3.31Å; Q15-L313 HydrophobicContact CG-CB 4.37Å; Q15-L313 PolarHBondContact NE2-O 3.35Å
16L89.8Confident87.5Confident96 Ų9671.4 Ų71.450%0.50336%0.364SS..Hα-helixtrans-58.3-46.8176.6-175.670.1000111.7A12 V13 Y19 L20A12-L16 WeakPolarHBondContact O-CB 3.27Å; A12-L16 PolarHBondContact O-N 2.63Å; V13-L16 WeakPolarHBondContact O-CB 3.47Å; V13-L16 PolarHBondContact O-N 2.74Å; L16-Y19 PolarHBondContact O-N 2.78Å; L16-L20 HydrophobicContact CD1-CD1 3.42Å; L16-L20 VanDerWaalsContact CD1-CD1 3.42Å; L16-L20 HydrophobicContact CD1-CG 4.18Å; L16-L20 HydrophobicContact CG-CD1 4.35Å; L16-L20 WeakPolarHBondContact O-CB 3.38Å; L16-L20 PolarHBondContact O-N 2.92Å
17Y90.9Very high88.1Confident84 Ų8468.1 Ų68.133%0.32935%0.353SS..Hα-helixtrans-63.7-42.8177.9-90.6-115.7000111.5V13 A14 Q15 Y19 A21 I29V13-Y17 HydrophobicContact CG1-CD2 3.86Å; V13-Y17 HydrophobicContact CG1-CE2 3.84Å; V13-Y17 VanDerWaalsContact O-CD2 3.3Å; V13-Y17 WeakPolarHBondContact O-CD2 3.32Å; V13-Y17 PolarHBondContact O-N 3.28Å; A14-Y17 PolarHBondContact O-N 2.97Å; Q15-Y17 VanDerWaalsContact C-N 3.35Å; Q15-Y17 PolarHBondContact O-N 3.34Å; Y17-Y19 VanDerWaalsContact C-N 3.29Å; Y17-Y19 PolarHBondContact O-N 3.26Å; Y17-A21 HydrophobicContact CD1-CB 3.76Å; Y17-A21 HydrophobicContact CE1-CB 4.5Å; Y17-A21 HydrophobicContact CG-CB 4.04Å; Y17-A21 WeakPolarHBondContact O-CA 3.42Å; Y17-A21 WeakPolarHBondContact O-CB 3.36Å; Y17-A21 PolarHBondContact O-N 2.87Å; Y17-I29 VanDerWaalsContact CB-CG2 3.45Å; Y17-I29 HydrophobicContact CD1-CG2 4Å; Y17-I29 HydrophobicContact CG-CG2 3.86Å
18Y89.7Confident88.3Confident28 Ų2869.8 Ų69.811%0.1137%0.368CS..Hα-helixtrans-56.9-42.3178-177.6-97.3000112.7A14 Q15 V26 I54 E57 L313A14-Y18 WeakPolarHBondContact O-CB 3.34Å; A14-Y18 PolarHBondContact O-N 3.35Å; Q15-Y18 PolarHBondContact O-N 3.18Å; Y18-V26 HydrophobicContact CD2-CG1 4.48Å; Y18-I54 HydrophobicContact CD2-CD1 4.38Å; Y18-I54 HydrophobicContact CD2-CG1 3.96Å; Y18-I54 HydrophobicContact CD2-CG2 4.15Å; Y18-I54 HydrophobicContact CE2-CB 4.26Å; Y18-I54 HydrophobicContact CE2-CG1 3.87Å; Y18-I54 HydrophobicContact CE2-CG2 3.84Å; Y18-E57 PolarHBondContact OH-OE2 3.26Å; Y18-L313 HydrophobicContact CD1-CD1 3.42Å; Y18-L313 VanDerWaalsContact CD1-CD1 3.42Å; Y18-L313 HydrophobicContact CD1-CG 4.34Å; Y18-L313 HydrophobicContact CD2-CD1 4.07Å; Y18-L313 HydrophobicContact CE1-CD1 3.73Å; Y18-L313 HydrophobicContact CE1-CG 4.43Å; Y18-L313 HydrophobicContact CE2-CD1 4.31Å; Y18-L313 HydrophobicContact CG-CD1 3.59Å
19Y88Confident88.8Confident80 Ų8063 Ų6331%0.31434%0.338SS..Hα-helixtrans-87.9-29.1-177-69.8-65.7000114.5Q15 L16 Y17 Q312 L313 L330Q15-Y19 HydrophobicContact CG-CD2 3.94Å; Q15-Y19 HydrophobicContact CG-CE2 3.77Å; Q15-Y19 WeakPolarHBondContact O-CD2 3.44Å; Q15-Y19 PolarHBondContact O-N 3.08Å; Q15-Y19 VanDerWaalsContact O-N 3.15Å; L16-Y19 PolarHBondContact O-N 2.78Å; Y17-Y19 VanDerWaalsContact C-N 3.29Å; Y17-Y19 PolarHBondContact O-N 3.26Å; Y19-Q312 HydrophobicContact CD2-CG 4.43Å; Y19-Q312 HydrophobicContact CE2-CG 3.68Å; Y19-Q312 WeakPolarHBondContact OH-CA 2.98Å; Y19-L313 HydrophobicContact CE2-CB 4.44Å; Y19-L313 HydrophobicContact CE2-CG 4.37Å; Y19-L313 PolarHBondContact OH-N 3.07Å; Y19-L313 VanDerWaalsContact OH-N 3.14Å; Y19-L330 HydrophobicContact CD1-CD1 4.05Å; Y19-L330 HydrophobicContact CD2-CD1 4.04Å; Y19-L330 HydrophobicContact CE1-CD1 4.09Å; Y19-L330 HydrophobicContact CE2-CD1 4.1Å; Y19-L330 HydrophobicContact CG-CD1 4.04Å
20L87.6Confident89Confident122 Ų12259.3 Ų59.364%0.63932%0.316SS*.Hα-helixtrans-121.6-18.6-169.7-57.3-174000115.1L16L16-L20 HydrophobicContact CD1-CD1 3.42Å; L16-L20 VanDerWaalsContact CD1-CD1 3.42Å; L16-L20 HydrophobicContact CD1-CG 4.18Å; L16-L20 HydrophobicContact CG-CD1 4.35Å; L16-L20 WeakPolarHBondContact O-CB 3.38Å; L16-L20 PolarHBondContact O-N 2.92Å
21A87.3Confident89.2Confident23 Ų2363.4 Ų63.419%0.1933%0.327CS..SBendtrans-76.7150.4-175.800000111.6Y17 E25 V26Y17-A21 HydrophobicContact CD1-CB 3.76Å; Y17-A21 HydrophobicContact CE1-CB 4.5Å; Y17-A21 HydrophobicContact CG-CB 4.04Å; Y17-A21 WeakPolarHBondContact O-CA 3.42Å; Y17-A21 WeakPolarHBondContact O-CB 3.36Å; Y17-A21 PolarHBondContact O-N 2.87Å; A21-E25 HydrophobicContact CB-CB 4.17Å; A21-V26 HydrophobicContact CB-CG2 4.15Å
22P88.6Confident89.4Confident77 Ų7764.3 Ų64.350%0.533%0.334SS..  trans-55.5148167.8-21.232.2000111.1D24 E25 V26P22-D24 PolarHBondContact O-N 2.98Å; P22-E25 PolarHBondContact O-N 3.16Å; P22-V26 PolarHBondContact O-N 3.06Å
23E83.8Confident89.6Confident128 Ų12862.8 Ų62.860%0.59832%0.321SS*.Hα-helixtrans-54.7-35.7-172.3-56.8-150.4113.200113.9E25 V26 R58E23-E25 VanDerWaalsContact C-N 3.31Å; E23-E25 PolarHBondContact O-N 3.22Å; E23-V26 PolarHBondContact O-N 2.74Å; E23-R58 IonicContact OE1-CZ 3.3Å; E23-R58 IonicContact OE1-NH1 3.03Å; E23-R58 PolarHBondContact OE1-NH1 3.24Å; E23-R58 IonicContact OE1-NH2 2.73Å; E23-R58 PolarHBondContact OE1-NH2 2.61Å
24D84.1Confident89.8Confident146 Ų14660.6 Ų60.678%0.78131%0.307SS*.Hα-helixtrans-67-30.7178.2-63-38.1000112.9P22P22-D24 PolarHBondContact O-N 2.98Å
25E88.3Confident89.8Confident102 Ų10267.6 Ų67.648%0.47733%0.332SS..Hα-helixtrans-86.7-24.2-178.5-65.8-167.7170.100112.8A21 P22 E23 N27 S28A21-E25 HydrophobicContact CB-CB 4.17Å; P22-E25 PolarHBondContact O-N 3.16Å; E23-E25 VanDerWaalsContact C-N 3.31Å; E23-E25 PolarHBondContact O-N 3.22Å; E25-N27 PolarHBondContact O-N 3.03Å; E25-S28 VanDerWaalsContact O-CB 3.24Å; E25-S28 WeakPolarHBondContact O-CB 3.48Å; E25-S28 PolarHBondContact O-N 3.32Å; E25-S28 PolarHBondContact O-OG 3.01Å
26V88.2Confident89.9Confident1 Ų166.4 Ų66.41%0.00633%0.327CS..Hα-helixtrans-56.6-37.9178.4-179.40000110.8Y18 A21 P22 E23 S28 I29 M61Y18-V26 HydrophobicContact CD2-CG1 4.48Å; A21-V26 HydrophobicContact CB-CG2 4.15Å; P22-V26 PolarHBondContact O-N 3.06Å; E23-V26 PolarHBondContact O-N 2.74Å; V26-S28 PolarHBondContact O-N 2.83Å; V26-I29 HydrophobicContact CG1-CD1 4.13Å; V26-I29 VanDerWaalsContact O-CG1 3.23Å; V26-I29 WeakPolarHBondContact O-CG1 3.36Å; V26-I29 PolarHBondContact O-N 3.01Å; V26-I29 VanDerWaalsContact O-N 3.12Å; V26-M61 HydrophobicContact CG1-SD 4.4Å
27N89.2Confident90Very high80 Ų8063.1 Ų63.143%0.42831%0.31SS..G310 helixtrans-58.1-23179.7-63.9-36.5000113.6E25 I29 A30 M61E25-N27 PolarHBondContact O-N 3.03Å; N27-I29 PolarHBondContact O-N 3.24Å; N27-A30 PolarHBondContact O-N 3.21Å; N27-M61 HydrophobicContact CB-CB 4.36Å; N27-M61 VanDerWaalsContact OD1-CB 3.28Å; N27-M61 WeakPolarHBondContact OD1-CB 3.43Å
28S88.9Confident89.9Confident67 Ų6768.6 Ų68.647%0.46933%0.33SS..G310 helixtrans-65.1-21.8179.7720000113.6E25 V26 A30 P32E25-S28 VanDerWaalsContact O-CB 3.24Å; E25-S28 WeakPolarHBondContact O-CB 3.48Å; E25-S28 PolarHBondContact O-N 3.32Å; E25-S28 PolarHBondContact O-OG 3.01Å; V26-S28 PolarHBondContact O-N 2.83Å; S28-A30 VanDerWaalsContact C-N 3.33Å; S28-A30 PolarHBondContact O-N 2.81Å; S28-P32 WeakPolarHBondContact O-CD 3.26Å
29I92.6Very high89.8Confident6 Ų668.5 Ų68.53%0.03133%0.333CS..G310 helixtrans-76.9-17.3-176.777.7-169.5000113.5A14 Y17 V26 N27 R31 P32 L33 I54 M61A14-I29 HydrophobicContact CB-CB 4.11Å; A14-I29 HydrophobicContact CB-CD1 4.41Å; A14-I29 HydrophobicContact CB-CG2 4.42Å; Y17-I29 VanDerWaalsContact CB-CG2 3.45Å; Y17-I29 HydrophobicContact CD1-CG2 4Å; Y17-I29 HydrophobicContact CG-CG2 3.86Å; V26-I29 HydrophobicContact CG1-CD1 4.13Å; V26-I29 VanDerWaalsContact O-CG1 3.23Å; V26-I29 WeakPolarHBondContact O-CG1 3.36Å; V26-I29 PolarHBondContact O-N 3.01Å; V26-I29 VanDerWaalsContact O-N 3.12Å; N27-I29 PolarHBondContact O-N 3.24Å; I29-R31 PolarHBondContact O-N 3.46Å; I29-P32 VanDerWaalsContact O-CD 3.27Å; I29-P32 WeakPolarHBondContact O-CD 3.43Å; I29-L33 HydrophobicContact CD1-CD1 4.48Å; I29-L33 HydrophobicContact CG1-CD1 4.09Å; I29-L33 WeakPolarHBondContact O-CG 3.11Å; I29-L33 PolarHBondContact O-N 3.49Å; I29-I54 HydrophobicContact CD1-CD1 4.46Å; I29-M61 HydrophobicContact CD1-CE 3.91Å; I29-M61 HydrophobicContact CG1-CE 3.58Å; I29-M61 HydrophobicContact CG1-SD 4.35Å
30A92.9Very high89.8Confident1 Ų170.2 Ų70.21%0.00834%0.34CS..Hα-helixtrans-57.6-48-177.600000112.2N27 S28 L33 L34 M61 F62 F65N27-A30 PolarHBondContact O-N 3.21Å; S28-A30 VanDerWaalsContact C-N 3.33Å; S28-A30 PolarHBondContact O-N 2.81Å; A30-L33 PolarHBondContact O-N 3.38Å; A30-L34 WeakPolarHBondContact O-CD1 3.47Å; A30-L34 VanDerWaalsContact O-CG 3.28Å; A30-L34 WeakPolarHBondContact O-CG 3.35Å; A30-L34 PolarHBondContact O-N 3.02Å; A30-M61 HydrophobicContact CB-CE 4.35Å; A30-M61 HydrophobicContact CB-CG 4.4Å; A30-M61 WeakPolarHBondContact CB-O 3.43Å; A30-F62 HydrophobicContact CB-CD1 4.12Å; A30-F62 HydrophobicContact CB-CE1 4.08Å; A30-F65 HydrophobicContact CB-CD2 4.17Å; A30-F65 HydrophobicContact CB-CE2 3.74Å
31R93.5Very high89.7Confident130 Ų13071 Ų7149%0.49133%0.334SS..Hα-helixtrans-63.4-49.9179-70.7180-178.9137.8-3.4112.7I29 L33 L34 R35 F65I29-R31 PolarHBondContact O-N 3.46Å; R31-L33 VanDerWaalsContact C-N 3.35Å; R31-L33 PolarHBondContact O-N 3.4Å; R31-L34 PolarHBondContact O-N 3.07Å; R31-R35 WeakPolarHBondContact O-CG 3.28Å; R31-R35 PolarHBondContact O-N 3.1Å; R31-F65 HydrophobicContact CG-CE1 3.76Å; R31-F65 HydrophobicContact CG-CE2 4.3Å; R31-F65 HydrophobicContact CG-CZ 3.38Å
32P92.9Very high89.7Confident41 Ų4174.1 Ų74.127%0.26635%0.345SS..Hα-helixtrans-52.8-46.4172.7-28.532.7000114.1V10 S28 I29 L34 R35 L36V10-P32 HydrophobicContact CG1-CB 3.78Å; S28-P32 WeakPolarHBondContact O-CD 3.26Å; I29-P32 VanDerWaalsContact O-CD 3.27Å; I29-P32 WeakPolarHBondContact O-CD 3.43Å; P32-L34 PolarHBondContact O-N 3.5Å; P32-R35 PolarHBondContact O-N 3.38Å; P32-L36 PolarHBondContact O-N 3.32Å
33L93.7Very high89.8Confident0 Ų071.1 Ų71.10%033%0.326CS..Hα-helixtrans-61.3-44.7178.6-70.1174.4000111.5L11 A14 I29 A30 R31 R35 L36 V47 I51 I54 M61 F62L11-L33 HydrophobicContact CD1-CD2 3.91Å; A14-L33 HydrophobicContact CB-CD1 4.43Å; A14-L33 HydrophobicContact CB-CD2 3.76Å; A14-L33 HydrophobicContact CB-CG 4.11Å; I29-L33 HydrophobicContact CD1-CD1 4.48Å; I29-L33 HydrophobicContact CG1-CD1 4.09Å; I29-L33 WeakPolarHBondContact O-CG 3.11Å; I29-L33 PolarHBondContact O-N 3.49Å; A30-L33 PolarHBondContact O-N 3.38Å; R31-L33 VanDerWaalsContact C-N 3.35Å; R31-L33 PolarHBondContact O-N 3.4Å; L33-R35 VanDerWaalsContact C-N 3.31Å; L33-R35 PolarHBondContact O-N 3.06Å; L33-L36 WeakPolarHBondContact O-CB 3.35Å; L33-L36 PolarHBondContact O-N 3.44Å; L33-L36 VanDerWaalsContact O-N 3.08Å; L33-V47 HydrophobicContact CB-CG1 4.43Å; L33-V47 HydrophobicContact CD2-CG1 4.48Å; L33-V47 WeakPolarHBondContact O-CG1 3.22Å; L33-I51 HydrophobicContact CB-CD1 4.17Å; L33-I51 HydrophobicContact CB-CG1 4.27Å; L33-I51 HydrophobicContact CD1-CG1 4.21Å; L33-I54 HydrophobicContact CD1-CD1 3.96Å; L33-M61 HydrophobicContact CD1-CE 4.5Å; L33-F62 HydrophobicContact CD1-CE1 4.46Å; L33-F62 HydrophobicContact CD1-CZ 4.2Å
34L94.1Very high90.1Very high21 Ų2167.2 Ų67.211%0.1131%0.307CS..Hα-helixtrans-62.8-35177.6-72165.9000113.2A30 R31 P32 L36 L37 F65 F69A30-L34 WeakPolarHBondContact O-CD1 3.47Å; A30-L34 VanDerWaalsContact O-CG 3.28Å; A30-L34 WeakPolarHBondContact O-CG 3.35Å; A30-L34 PolarHBondContact O-N 3.02Å; R31-L34 PolarHBondContact O-N 3.07Å; P32-L34 PolarHBondContact O-N 3.5Å; L34-L36 PolarHBondContact O-N 3.28Å; L34-L37 HydrophobicContact CD2-CD1 3.8Å; L34-L37 VanDerWaalsContact O-CB 3.29Å; L34-L37 WeakPolarHBondContact O-CB 3.27Å; L34-L37 PolarHBondContact O-N 3.06Å; L34-L37 VanDerWaalsContact O-N 3.09Å; L34-F65 HydrophobicContact CD1-CB 3.31Å; L34-F65 HydrophobicContact CD1-CD1 3.46Å; L34-F65 VanDerWaalsContact CD1-CD1 3.46Å; L34-F65 HydrophobicContact CD1-CD2 3.55Å; L34-F65 HydrophobicContact CD1-CE1 4.14Å; L34-F65 HydrophobicContact CD1-CE2 4.21Å; L34-F65 HydrophobicContact CD1-CG 3.12Å; L34-F65 HydrophobicContact CD1-CZ 4.48Å; L34-F65 HydrophobicContact CD2-CB 4.49Å; L34-F69 HydrophobicContact CD2-CE1 3.74Å; L34-F69 HydrophobicContact CD2-CE2 4.35Å; L34-F69 HydrophobicContact CD2-CZ 3.57Å
35R92.1Very high90.5Very high151 Ų15161.3 Ų61.357%0.5728%0.277SS*.Hα-helixtrans-62.8-31.3175.2-70.7179.2-167125.9-2.7112.1R31 P32 L33 L37 R38R31-R35 WeakPolarHBondContact O-CG 3.28Å; R31-R35 PolarHBondContact O-N 3.1Å; P32-R35 PolarHBondContact O-N 3.38Å; L33-R35 VanDerWaalsContact C-N 3.31Å; L33-R35 PolarHBondContact O-N 3.06Å; R35-L37 PolarHBondContact O-N 3.23Å; R35-R38 PolarHBondContact O-N 3.39Å
36L91.7Very high90.6Very high10 Ų1059.4 Ų59.45%0.05227%0.27CS..Hα-helixtrans-68-19.4176.6-59.8-179.4000112.9N7 V10 P32 L33 L34 R38 S39 V43 V47N7-L36 HydrophobicContact CB-CD2 4.03Å; N7-L36 WeakPolarHBondContact OD1-CD2 3.14Å; V10-L36 HydrophobicContact CB-CD1 4.11Å; V10-L36 HydrophobicContact CB-CD2 4.13Å; V10-L36 HydrophobicContact CB-CG 4.45Å; V10-L36 HydrophobicContact CG1-CD1 3.82Å; V10-L36 HydrophobicContact CG1-CD2 4.19Å; V10-L36 HydrophobicContact CG1-CG 4.06Å; V10-L36 HydrophobicContact CG2-CD2 4.46Å; P32-L36 PolarHBondContact O-N 3.32Å; L33-L36 WeakPolarHBondContact O-CB 3.35Å; L33-L36 PolarHBondContact O-N 3.44Å; L33-L36 VanDerWaalsContact O-N 3.08Å; L34-L36 PolarHBondContact O-N 3.28Å; L36-R38 PolarHBondContact O-N 3.46Å; L36-S39 WeakPolarHBondContact O-CB 3.22Å; L36-S39 PolarHBondContact O-N 3.11Å; L36-V43 HydrophobicContact CB-CG1 4.37Å; L36-V47 HydrophobicContact CB-CB 4.5Å; L36-V47 HydrophobicContact CB-CG1 4.2Å; L36-V47 HydrophobicContact CB-CG2 3.74Å; L36-V47 HydrophobicContact CD1-CG2 3.69Å; L36-V47 HydrophobicContact CG-CG2 4.39Å
37L91.3Very high90.9Very high28 Ų2859.4 Ų59.415%0.14727%0.27CS..THydrogen-bonded Turntrans-66.6-15.4174.9-57.4-177.2000113L34 R35 S39 Q44 V47 L48 F69L34-L37 HydrophobicContact CD2-CD1 3.8Å; L34-L37 VanDerWaalsContact O-CB 3.29Å; L34-L37 WeakPolarHBondContact O-CB 3.27Å; L34-L37 PolarHBondContact O-N 3.06Å; L34-L37 VanDerWaalsContact O-N 3.09Å; R35-L37 PolarHBondContact O-N 3.23Å; L37-S39 PolarHBondContact O-N 3.4Å; L37-Q44 WeakPolarHBondContact O-CG 3.18Å; L37-Q44 PolarHBondContact O-NE2 3.03Å; L37-Q44 VanDerWaalsContact O-NE2 3.12Å; L37-V47 HydrophobicContact CD2-CB 4.18Å; L37-V47 HydrophobicContact CD2-CG1 3.8Å; L37-L48 HydrophobicContact CD1-CD2 4.06Å; L37-L48 HydrophobicContact CD2-CD1 4.37Å; L37-L48 HydrophobicContact CD2-CD2 3.74Å; L37-L48 HydrophobicContact CD2-CG 3.63Å; L37-F69 HydrophobicContact CD1-CE1 4.46Å
38R89.6Confident91.2Very high199 Ų19955.7 Ų55.775%0.75125%0.25SC*.THydrogen-bonded Turntrans-78.8-5172-59.1-178.8-178.3178.8-2.8113.2R35 L36R35-R38 PolarHBondContact O-N 3.39Å; L36-R38 PolarHBondContact O-N 3.46Å
39S88.5Confident91.4Very high25 Ų2553 Ų5318%0.17523%0.23CC..SBendtrans-78178.5175.8-168.40000111.2N7 L36 L37 Q44N7-S39 PolarHBondContact ND2-OG 2.71Å; L36-S39 WeakPolarHBondContact O-CB 3.22Å; L36-S39 PolarHBondContact O-N 3.11Å; L37-S39 PolarHBondContact O-N 3.4Å; S39-Q44 WeakPolarHBondContact O-CG 3.37Å; S39-Q44 PolarHBondContact O-NE2 3.25Å
40Y87.2Confident91.5Very high116 Ų11652.9 Ų52.946%0.45523%0.23SC..  trans-62.2158.8174.959.8-90.2000113.3T4 E42 V43 Q44T4-Y40 HydrophobicContact CG2-CE1 4.14Å; T4-Y40 WeakPolarHBondContact CG2-OH 3.29Å; Y40-E42 VanDerWaalsContact C-N 3.33Å; Y40-E42 HydrophobicContact CD2-CB 3.97Å; Y40-E42 VanDerWaalsContact CD2-OE2 3.22Å; Y40-E42 WeakPolarHBondContact CD2-OE2 3.39Å; Y40-E42 HydrophobicContact CE2-CB 3.84Å; Y40-E42 PolarHBondContact O-N 3.09Å; Y40-E42 VanDerWaalsContact O-N 3.16Å; Y40-V43 HydrophobicContact CD1-CG2 4.2Å; Y40-V43 HydrophobicContact CD2-CG2 4.12Å; Y40-V43 HydrophobicContact CE1-CG2 3.6Å; Y40-V43 HydrophobicContact CE2-CB 4.45Å; Y40-V43 HydrophobicContact CE2-CG2 3.58Å; Y40-V43 HydrophobicContact CG-CG2 4.44Å; Y40-V43 WeakPolarHBondContact O-CB 3.4Å; Y40-V43 PolarHBondContact O-N 3.26Å; Y40-V43 WeakPolarHBondContact OH-CG2 3.36Å; Y40-Q44 PolarHBondContact O-N 3.48Å; Y40-Q44 VanDerWaalsContact O-N 3.16Å
41R86.1Confident91.6Very high138 Ų13852.8 Ų52.852%0.52123%0.23SC..Hα-helixtrans-47.2-46.3-170.2-178-176.964.3172.50.3114.4V43 Q44 C45R41-V43 VanDerWaalsContact C-N 3.3Å; R41-V43 PolarHBondContact O-N 3.45Å; R41-Q44 WeakPolarHBondContact O-CB 3.47Å; R41-Q44 PolarHBondContact O-N 2.9Å; R41-Q44 VanDerWaalsContact O-N 3.12Å; R41-C45 PolarHBondContact O-N 3.12Å; R41-C45 PolarHBondContact O-SG 3.45Å
42E87.7Confident91.7Very high90 Ų9046.6 Ų46.642%0.42121%0.206SC..Hα-helixtrans-65.2-35.1-176.5-64.867.7-152.600111.6Y40 I46Y40-E42 VanDerWaalsContact C-N 3.33Å; Y40-E42 HydrophobicContact CD2-CB 3.97Å; Y40-E42 VanDerWaalsContact CD2-OE2 3.22Å; Y40-E42 WeakPolarHBondContact CD2-OE2 3.39Å; Y40-E42 HydrophobicContact CE2-CB 3.84Å; Y40-E42 PolarHBondContact O-N 3.09Å; Y40-E42 VanDerWaalsContact O-N 3.16Å; E42-I46 WeakPolarHBondContact O-CG1 3.41Å; E42-I46 PolarHBondContact O-N 3.36Å
43V89.1Confident91.6Very high14 Ų1445 Ų459%0.08520%0.196CC..Hα-helixtrans-70.1-40.2173.1172.10000110.5N7 L36 Y40 R41 C45 I46 V47N7-V43 HydrophobicContact CB-CG1 4.45Å; L36-V43 HydrophobicContact CB-CG1 4.37Å; Y40-V43 HydrophobicContact CD1-CG2 4.2Å; Y40-V43 HydrophobicContact CD2-CG2 4.12Å; Y40-V43 HydrophobicContact CE1-CG2 3.6Å; Y40-V43 HydrophobicContact CE2-CB 4.45Å; Y40-V43 HydrophobicContact CE2-CG2 3.58Å; Y40-V43 HydrophobicContact CG-CG2 4.44Å; Y40-V43 WeakPolarHBondContact O-CB 3.4Å; Y40-V43 PolarHBondContact O-N 3.26Å; Y40-V43 WeakPolarHBondContact OH-CG2 3.36Å; R41-V43 VanDerWaalsContact C-N 3.3Å; R41-V43 PolarHBondContact O-N 3.45Å; V43-C45 VanDerWaalsContact C-N 3.33Å; V43-C45 PolarHBondContact O-N 3.33Å; V43-I46 PolarHBondContact O-N 3.08Å; V43-V47 HydrophobicContact CG1-CG2 3.94Å; V43-V47 WeakPolarHBondContact O-CB 3.26Å; V43-V47 WeakPolarHBondContact O-CG2 3.48Å; V43-V47 PolarHBondContact O-N 3.39Å
44Q91.1Very high91.6Very high45 Ų4545.1 Ų45.121%0.2120%0.197CC..Hα-helixtrans-58.1-46.9176-59.9177.6600111L37 S39 Y40 R41 I46 V47 L48 V79L37-Q44 WeakPolarHBondContact O-CG 3.18Å; L37-Q44 PolarHBondContact O-NE2 3.03Å; L37-Q44 VanDerWaalsContact O-NE2 3.12Å; S39-Q44 WeakPolarHBondContact O-CG 3.37Å; S39-Q44 PolarHBondContact O-NE2 3.25Å; Y40-Q44 PolarHBondContact O-N 3.48Å; Y40-Q44 VanDerWaalsContact O-N 3.16Å; R41-Q44 WeakPolarHBondContact O-CB 3.47Å; R41-Q44 PolarHBondContact O-N 2.9Å; R41-Q44 VanDerWaalsContact O-N 3.12Å; Q44-I46 PolarHBondContact O-N 3.4Å; Q44-V47 PolarHBondContact O-N 2.9Å; Q44-L48 VanDerWaalsContact O-CB 3.23Å; Q44-L48 WeakPolarHBondContact O-CB 3.37Å; Q44-L48 WeakPolarHBondContact O-CG 3.48Å; Q44-L48 PolarHBondContact O-N 2.89Å; Q44-V79 HydrophobicContact CB-CG2 4.38Å
45C91.4Very high91.6Very high22 Ų2244.2 Ų44.215%0.14919%0.192CC..Hα-helixtrans-59.1-46.7178.1-68.20000112.2R41 V43 T49R41-C45 PolarHBondContact O-N 3.12Å; R41-C45 PolarHBondContact O-SG 3.45Å; V43-C45 VanDerWaalsContact C-N 3.33Å; V43-C45 PolarHBondContact O-N 3.33Å; C45-T49 WeakPolarHBondContact O-CB 3.37Å; C45-T49 PolarHBondContact O-N 3.27Å; C45-T49 PolarHBondContact O-OG1 2.63Å
46I91.4Very high91.6Very high62 Ų6239.3 Ų39.332%0.31818%0.179SC..Hα-helixtrans-63.1-49.3179.4-65.5165.6000110.4L11 E42 V43 Q44 T49 T50 L319L11-I46 HydrophobicContact CD2-CG2 3.92Å; E42-I46 WeakPolarHBondContact O-CG1 3.41Å; E42-I46 PolarHBondContact O-N 3.36Å; V43-I46 PolarHBondContact O-N 3.08Å; Q44-I46 PolarHBondContact O-N 3.4Å; I46-T49 WeakPolarHBondContact O-CB 3.36Å; I46-T49 PolarHBondContact O-N 3.25Å; I46-T50 PolarHBondContact O-N 3.16Å; I46-T50 PolarHBondContact O-OG1 3.12Å; I46-L319 HydrophobicContact CG1-CD2 4.28Å
47V94Very high91.3Very high2 Ų243.6 Ų43.61%0.01220%0.199CC..Hα-helixtrans-65.2-43.1-177.5172.50000111.1L33 L36 L37 V43 Q44 T49 T50 I51L33-V47 HydrophobicContact CB-CG1 4.43Å; L33-V47 HydrophobicContact CD2-CG1 4.48Å; L33-V47 WeakPolarHBondContact O-CG1 3.22Å; L36-V47 HydrophobicContact CB-CB 4.5Å; L36-V47 HydrophobicContact CB-CG1 4.2Å; L36-V47 HydrophobicContact CB-CG2 3.74Å; L36-V47 HydrophobicContact CD1-CG2 3.69Å; L36-V47 HydrophobicContact CG-CG2 4.39Å; L37-V47 HydrophobicContact CD2-CB 4.18Å; L37-V47 HydrophobicContact CD2-CG1 3.8Å; V43-V47 HydrophobicContact CG1-CG2 3.94Å; V43-V47 WeakPolarHBondContact O-CB 3.26Å; V43-V47 WeakPolarHBondContact O-CG2 3.48Å; V43-V47 PolarHBondContact O-N 3.39Å; Q44-V47 PolarHBondContact O-N 2.9Å; V47-T49 VanDerWaalsContact C-N 3.33Å; V47-T49 PolarHBondContact O-N 3.32Å; V47-T50 WeakPolarHBondContact O-CB 3.21Å; V47-T50 PolarHBondContact O-N 3.44Å; V47-I51 HydrophobicContact CG1-CD1 3.83Å; V47-I51 HydrophobicContact CG1-CG1 4.36Å; V47-I51 VanDerWaalsContact O-CG1 3.29Å; V47-I51 WeakPolarHBondContact O-CG1 3.42Å; V47-I51 PolarHBondContact O-N 3.42Å
48L96Very high91.2Very high1 Ų145.8 Ų45.81%0.00521%0.205CC..Hα-helixtrans-65.3-36176-72.2169000112L37 Q44 T50 I51 A52 F69 V79 L82 K83 I86L37-L48 HydrophobicContact CD1-CD2 4.06Å; L37-L48 HydrophobicContact CD2-CD1 4.37Å; L37-L48 HydrophobicContact CD2-CD2 3.74Å; L37-L48 HydrophobicContact CD2-CG 3.63Å; Q44-L48 VanDerWaalsContact O-CB 3.23Å; Q44-L48 WeakPolarHBondContact O-CB 3.37Å; Q44-L48 WeakPolarHBondContact O-CG 3.48Å; Q44-L48 PolarHBondContact O-N 2.89Å; L48-T50 VanDerWaalsContact C-N 3.32Å; L48-T50 PolarHBondContact O-N 3.39Å; L48-I51 PolarHBondContact O-N 3.35Å; L48-A52 VanDerWaalsContact O-CB 3.29Å; L48-A52 WeakPolarHBondContact O-CB 3.49Å; L48-A52 PolarHBondContact O-N 2.95Å; L48-F69 HydrophobicContact CD2-CD1 4.29Å; L48-F69 HydrophobicContact CD2-CE1 4.41Å; L48-V79 HydrophobicContact CD1-CB 4.3Å; L48-V79 HydrophobicContact CD1-CG1 3.76Å; L48-V79 HydrophobicContact CD1-CG2 4.23Å; L48-L82 HydrophobicContact CB-CB 3.82Å; L48-L82 HydrophobicContact CB-CD1 3.77Å; L48-L82 HydrophobicContact CB-CG 4.35Å; L48-L82 HydrophobicContact CD1-CB 4.36Å; L48-K83 HydrophobicContact CD1-CG 4.33Å; L48-K83 HydrophobicContact CD2-CG 4.29Å; L48-I86 HydrophobicContact CB-CD1 4.35Å; L48-I86 HydrophobicContact CD2-CD1 3.65Å
49T93.9Very high91.3Very high10 Ų1037.5 Ų37.56%0.06118%0.177CC..Hα-helixtrans-61.5-43.2172.5-57.80000110.7C45 I46 V47 A52 S53 F305 L319C45-T49 WeakPolarHBondContact O-CB 3.37Å; C45-T49 PolarHBondContact O-N 3.27Å; C45-T49 PolarHBondContact O-OG1 2.63Å; I46-T49 WeakPolarHBondContact O-CB 3.36Å; I46-T49 PolarHBondContact O-N 3.25Å; V47-T49 VanDerWaalsContact C-N 3.33Å; V47-T49 PolarHBondContact O-N 3.32Å; T49-A52 PolarHBondContact O-N 3.37Å; T49-S53 PolarHBondContact O-N 3.06Å; T49-S53 VanDerWaalsContact O-N 3.1Å; T49-F305 HydrophobicContact CG2-CE1 3.76Å; T49-F305 HydrophobicContact CG2-CZ 4.49Å; T49-L319 HydrophobicContact CG2-CD1 3.85Å
50T93.3Very high91.4Very high4 Ų438.9 Ų38.93%0.02519%0.191CC..Hα-helixtrans-63.9-45.5174.5-58.20000111.9L11 I46 V47 L48 A52 S53 I54 L313L11-T50 HydrophobicContact CD1-CG2 4.11Å; I46-T50 PolarHBondContact O-N 3.16Å; I46-T50 PolarHBondContact O-OG1 3.12Å; V47-T50 WeakPolarHBondContact O-CB 3.21Å; V47-T50 PolarHBondContact O-N 3.44Å; L48-T50 VanDerWaalsContact C-N 3.32Å; L48-T50 PolarHBondContact O-N 3.39Å; T50-A52 VanDerWaalsContact C-N 3.33Å; T50-A52 PolarHBondContact O-N 2.99Å; T50-S53 PolarHBondContact O-N 3.5Å; T50-I54 HydrophobicContact CG2-CD1 3.84Å; T50-I54 HydrophobicContact CG2-CG1 4.44Å; T50-I54 WeakPolarHBondContact O-CG1 3.36Å; T50-I54 PolarHBondContact O-N 3.48Å; T50-L313 HydrophobicContact CG2-CB 4.11Å; T50-L313 HydrophobicContact CG2-CD1 4.33Å; T50-L313 HydrophobicContact CG2-CD2 4.45Å
51I95.6Very high91.7Very high0 Ų033.9 Ų33.90%017%0.171CC..Hα-helixtrans-61.2-42.6176.5-68.3169.8000110.7L33 V47 L48 S53 I54 S55 F62 F69 I86L33-I51 HydrophobicContact CB-CD1 4.17Å; L33-I51 HydrophobicContact CB-CG1 4.27Å; L33-I51 HydrophobicContact CD1-CG1 4.21Å; V47-I51 HydrophobicContact CG1-CD1 3.83Å; V47-I51 HydrophobicContact CG1-CG1 4.36Å; V47-I51 VanDerWaalsContact O-CG1 3.29Å; V47-I51 WeakPolarHBondContact O-CG1 3.42Å; V47-I51 PolarHBondContact O-N 3.42Å; L48-I51 PolarHBondContact O-N 3.35Å; I51-S53 PolarHBondContact O-N 2.91Å; I51-I54 PolarHBondContact O-N 3.36Å; I51-S55 VanDerWaalsContact O-CB 3.26Å; I51-S55 WeakPolarHBondContact O-CB 3.33Å; I51-S55 PolarHBondContact O-N 3.16Å; I51-S55 PolarHBondContact O-OG 3.42Å; I51-F62 HydrophobicContact CB-CE1 4.5Å; I51-F62 HydrophobicContact CB-CE2 4.47Å; I51-F62 HydrophobicContact CB-CZ 4.06Å; I51-F62 HydrophobicContact CD1-CE1 4.42Å; I51-F62 HydrophobicContact CG1-CE1 4.03Å; I51-F62 HydrophobicContact CG1-CZ 3.84Å; I51-F62 HydrophobicContact CG2-CD1 4.2Å; I51-F62 HydrophobicContact CG2-CD2 4.12Å; I51-F62 HydrophobicContact CG2-CE1 3.85Å; I51-F62 HydrophobicContact CG2-CE2 3.74Å; I51-F62 HydrophobicContact CG2-CG 4.32Å; I51-F62 HydrophobicContact CG2-CZ 3.58Å; I51-F69 HydrophobicContact CD1-CE1 4.14Å; I51-F69 HydrophobicContact CG2-CE1 3.88Å; I51-F69 HydrophobicContact CG2-CZ 3.97Å; I51-I86 HydrophobicContact CB-CD1 3.94Å; I51-I86 HydrophobicContact CG2-CD1 3.53Å; I51-I86 HydrophobicContact CG2-CG1 3.89Å; I51-I86 HydrophobicContact CG2-CG2 3.99Å
52A94.8Very high92.1Very high0 Ų027.3 Ų27.30%015%0.147CC..Hα-helixtrans-58-47176.700000111L48 T49 T50 S55 T56 L82 I86 F305L48-A52 VanDerWaalsContact O-CB 3.29Å; L48-A52 WeakPolarHBondContact O-CB 3.49Å; L48-A52 PolarHBondContact O-N 2.95Å; T49-A52 PolarHBondContact O-N 3.37Å; T50-A52 VanDerWaalsContact C-N 3.33Å; T50-A52 PolarHBondContact O-N 2.99Å; A52-S55 WeakPolarHBondContact CA-OG 3.29Å; A52-S55 PolarHBondContact O-N 3.23Å; A52-S55 PolarHBondContact O-OG 3.44Å; A52-T56 PolarHBondContact O-N 2.85Å; A52-L82 HydrophobicContact CB-CD2 4.5Å; A52-I86 HydrophobicContact CB-CD1 4.48Å; A52-I86 HydrophobicContact CB-CG1 3.93Å; A52-F305 HydrophobicContact CB-CD1 3.79Å; A52-F305 HydrophobicContact CB-CD2 4.13Å; A52-F305 HydrophobicContact CB-CE1 3.72Å; A52-F305 HydrophobicContact CB-CE2 4.08Å; A52-F305 HydrophobicContact CB-CG 4Å; A52-F305 HydrophobicContact CB-CZ 3.89Å
53S92.5Very high92.4Very high8 Ų825.2 Ų25.26%0.05614%0.137CC..Hα-helixtrans-63.4-42.4173.3-760000113.9T49 T50 I51 S55 T56 H318T49-S53 PolarHBondContact O-N 3.06Å; T49-S53 VanDerWaalsContact O-N 3.1Å; T50-S53 PolarHBondContact O-N 3.5Å; I51-S53 PolarHBondContact O-N 2.91Å; S53-S55 VanDerWaalsContact C-N 3.26Å; S53-S55 PolarHBondContact O-N 2.8Å; S53-T56 PolarHBondContact O-N 2.79Å; S53-T56 PolarHBondContact O-OG1 2.91Å; S53-H318 WeakPolarHBondContact CB-NE2 3.35Å; S53-H318 PolarHBondContact OG-NE2 3.43Å
54I93Very high92.6Very high1 Ų129.5 Ų29.51%0.00517%0.165CC..Hα-helixtrans-65.8-35.8177.8-63.9165.4000110.4Y18 I29 L33 T50 I51 T56 E57 R58 M61 F62 L313Y18-I54 HydrophobicContact CD2-CD1 4.38Å; Y18-I54 HydrophobicContact CD2-CG1 3.96Å; Y18-I54 HydrophobicContact CD2-CG2 4.15Å; Y18-I54 HydrophobicContact CE2-CB 4.26Å; Y18-I54 HydrophobicContact CE2-CG1 3.87Å; Y18-I54 HydrophobicContact CE2-CG2 3.84Å; I29-I54 HydrophobicContact CD1-CD1 4.46Å; L33-I54 HydrophobicContact CD1-CD1 3.96Å; T50-I54 HydrophobicContact CG2-CD1 3.84Å; T50-I54 HydrophobicContact CG2-CG1 4.44Å; T50-I54 WeakPolarHBondContact O-CG1 3.36Å; T50-I54 PolarHBondContact O-N 3.48Å; I51-I54 PolarHBondContact O-N 3.36Å; I54-T56 PolarHBondContact O-N 3.24Å; I54-E57 PolarHBondContact O-N 2.92Å; I54-R58 HydrophobicContact CG2-CB 4.24Å; I54-R58 PolarHBondContact O-N 3.37Å; I54-M61 HydrophobicContact CD1-CE 4.44Å; I54-M61 HydrophobicContact CG2-CE 3.58Å; I54-M61 HydrophobicContact CG2-SD 4.03Å; I54-F62 HydrophobicContact CB-CE2 3.97Å; I54-F62 HydrophobicContact CB-CZ 4.42Å; I54-F62 HydrophobicContact CG2-CE2 3.77Å; I54-F62 HydrophobicContact CG2-CZ 4.31Å; I54-L313 HydrophobicContact CD1-CD1 3.96Å; I54-L313 HydrophobicContact CG1-CD1 3.6Å
55S93.7Very high92.8Very high2 Ų229.1 Ų29.11%0.01416%0.163CC..Hα-helixtrans-67.5-19.8-177.672.10000113.9I51 A52 S53 E57 S59 N89I51-S55 VanDerWaalsContact O-CB 3.26Å; I51-S55 WeakPolarHBondContact O-CB 3.33Å; I51-S55 PolarHBondContact O-N 3.16Å; I51-S55 PolarHBondContact O-OG 3.42Å; A52-S55 WeakPolarHBondContact CA-OG 3.29Å; A52-S55 PolarHBondContact O-N 3.23Å; A52-S55 PolarHBondContact O-OG 3.44Å; S53-S55 VanDerWaalsContact C-N 3.26Å; S53-S55 PolarHBondContact O-N 2.8Å; S55-E57 VanDerWaalsContact C-N 3.32Å; S55-S59 WeakPolarHBondContact O-CB 3.28Å; S55-S59 PolarHBondContact O-N 2.85Å; S55-N89 WeakPolarHBondContact OG-CB 3.23Å; S55-N89 PolarHBondContact OG-ND2 3.25Å
56T91Very high93Very high48 Ų4828.7 Ų28.729%0.29416%0.159SC..Hα-helixtrans-71-28.9175.257.40000112.5A52 S53 I54 S303 F305 V306A52-T56 PolarHBondContact O-N 2.85Å; S53-T56 PolarHBondContact O-N 2.79Å; S53-T56 PolarHBondContact O-OG1 2.91Å; I54-T56 PolarHBondContact O-N 3.24Å; T56-S303 WeakPolarHBondContact CG2-OG 3.17Å; T56-F305 HydrophobicContact CG2-CB 3.89Å; T56-V306 HydrophobicContact CG2-CG2 4.5Å
57E86.4Confident93.2Very high101 Ų10133 Ų3347%0.47218%0.176SC..Hα-helixtrans-104.2-42.8179.1-67.6-176.7-178.200112.8Y18 I54 S55Y18-E57 PolarHBondContact OH-OE2 3.26Å; I54-E57 PolarHBondContact O-N 2.92Å; S55-E57 VanDerWaalsContact C-N 3.32Å
58R89.8Confident93.2Very high74 Ų7433.9 Ų33.928%0.27918%0.182SC..  trans-123.651.2-171.3-61.5-173.5-179.7-98.8-7.5111.8E23 I54 A60 M61E23-R58 IonicContact OE1-CZ 3.3Å; E23-R58 IonicContact OE1-NH1 3.03Å; E23-R58 PolarHBondContact OE1-NH1 3.24Å; E23-R58 IonicContact OE1-NH2 2.73Å; E23-R58 PolarHBondContact OE1-NH2 2.61Å; I54-R58 HydrophobicContact CG2-CB 4.24Å; I54-R58 PolarHBondContact O-N 3.37Å; R58-A60 PolarHBondContact O-N 3.03Å; R58-M61 WeakPolarHBondContact O-CG 3.14Å; R58-M61 PolarHBondContact O-N 3.2Å
59S91.1Very high93.3Very high24 Ų2433.9 Ų33.917%0.16818%0.181CC..G310 helixtrans-56.4-32.3-178.859.10000114.5S55 M61 F62 N89S55-S59 WeakPolarHBondContact O-CB 3.28Å; S55-S59 PolarHBondContact O-N 2.85Å; S59-M61 PolarHBondContact O-N 3.02Å; S59-M61 VanDerWaalsContact O-N 3.13Å; S59-F62 PolarHBondContact O-N 2.86Å; S59-N89 WeakPolarHBondContact CB-O 3.46Å
60A91.2Very high93.5Very high55 Ų5535.3 Ų35.346%0.45519%0.187SC..G310 helixtrans-56.8-32.3-175.200000114.4R58 F62 E63R58-A60 PolarHBondContact O-N 3.03Å; A60-F62 PolarHBondContact O-N 3.45Å; A60-E63 VanDerWaalsContact CA-OE1 3.32Å; A60-E63 WeakPolarHBondContact CA-OE1 3.18Å; A60-E63 PolarHBondContact O-N 2.69Å
61M92.3Very high93.5Very high10 Ų1036.1 Ų36.15%0.04919%0.192CC..G310 helixtrans-71-18.2-177.878.7-178.9-144.100113.5V26 N27 I29 A30 L33 I54 R58 S59V26-M61 HydrophobicContact CG1-SD 4.4Å; N27-M61 HydrophobicContact CB-CB 4.36Å; N27-M61 VanDerWaalsContact OD1-CB 3.28Å; N27-M61 WeakPolarHBondContact OD1-CB 3.43Å; I29-M61 HydrophobicContact CD1-CE 3.91Å; I29-M61 HydrophobicContact CG1-CE 3.58Å; I29-M61 HydrophobicContact CG1-SD 4.35Å; A30-M61 HydrophobicContact CB-CE 4.35Å; A30-M61 HydrophobicContact CB-CG 4.4Å; A30-M61 WeakPolarHBondContact CB-O 3.43Å; L33-M61 HydrophobicContact CD1-CE 4.5Å; I54-M61 HydrophobicContact CD1-CE 4.44Å; I54-M61 HydrophobicContact CG2-CE 3.58Å; I54-M61 HydrophobicContact CG2-SD 4.03Å; R58-M61 WeakPolarHBondContact O-CG 3.14Å; R58-M61 PolarHBondContact O-N 3.2Å; S59-M61 PolarHBondContact O-N 3.02Å; S59-M61 VanDerWaalsContact O-N 3.13Å
62F95.6Very high93.4Very high0 Ų041 Ų410%021%0.21CC..THydrogen-bonded Turntrans-100.1-14.1-179.6-66.7-61.3000113.7A30 L33 I51 I54 S59 A60 P64 F65 L66 F69 I90A30-F62 HydrophobicContact CB-CD1 4.12Å; A30-F62 HydrophobicContact CB-CE1 4.08Å; L33-F62 HydrophobicContact CD1-CE1 4.46Å; L33-F62 HydrophobicContact CD1-CZ 4.2Å; I51-F62 HydrophobicContact CB-CE1 4.5Å; I51-F62 HydrophobicContact CB-CE2 4.47Å; I51-F62 HydrophobicContact CB-CZ 4.06Å; I51-F62 HydrophobicContact CD1-CE1 4.42Å; I51-F62 HydrophobicContact CG1-CE1 4.03Å; I51-F62 HydrophobicContact CG1-CZ 3.84Å; I51-F62 HydrophobicContact CG2-CD1 4.2Å; I51-F62 HydrophobicContact CG2-CD2 4.12Å; I51-F62 HydrophobicContact CG2-CE1 3.85Å; I51-F62 HydrophobicContact CG2-CE2 3.74Å; I51-F62 HydrophobicContact CG2-CG 4.32Å; I51-F62 HydrophobicContact CG2-CZ 3.58Å; I54-F62 HydrophobicContact CB-CE2 3.97Å; I54-F62 HydrophobicContact CB-CZ 4.42Å; I54-F62 HydrophobicContact CG2-CE2 3.77Å; I54-F62 HydrophobicContact CG2-CZ 4.31Å; S59-F62 PolarHBondContact O-N 2.86Å; A60-F62 PolarHBondContact O-N 3.45Å; F62-P64 VanDerWaalsContact C-CD 3.47Å; F62-F65 CarbonylContact O-C 3.5Å; F62-F65 WeakPolarHBondContact O-CA 3.49Å; F62-F65 PolarHBondContact O-N 2.75Å; F62-L66 PolarHBondContact O-N 3.07Å; F62-F69 HydrophobicContact CB-CE2 3.98Å; F62-F69 HydrophobicContact CB-CZ 4.27Å; F62-F69 HydrophobicContact CD1-CE2 4.41Å; F62-F69 AromaticContact CD1-CZ 3.91Å; F62-F69 HydrophobicContact CD1-CZ 3.91Å; F62-F69 HydrophobicContact CG-CE2 4.47Å; F62-F69 HydrophobicContact CG-CZ 4.27Å; F62-I90 HydrophobicContact CB-CG2 3.97Å
63E93.1Very high93Very high46 Ų4647 Ų4722%0.21525%0.252CS..G310 helixtrans-53.2-44.5179.5-73.6174.2-141.600114.2A60 F65 L66 K92A60-E63 VanDerWaalsContact CA-OE1 3.32Å; A60-E63 WeakPolarHBondContact CA-OE1 3.18Å; A60-E63 PolarHBondContact O-N 2.69Å; E63-F65 PolarHBondContact O-N 3.41Å; E63-L66 WeakPolarHBondContact O-CB 3.24Å; E63-L66 PolarHBondContact O-N 3.18Å; E63-K92 WeakPolarHBondContact OE1-CD 3.36Å; E63-K92 WeakPolarHBondContact OE1-CE 3.39Å; E63-K92 IonicContact OE1-NZ 2.94Å; E63-K92 PolarHBondContact OE1-NZ 2.86Å
64P93.2Very high92.8Very high104 Ų10453 Ų5368%0.67528%0.283SS*.G310 helixtrans-62.3-17.3178.7-22.735.3000113.5F62F62-P64 VanDerWaalsContact C-CD 3.47Å
65F95.2Very high92.7Very high38 Ų3853.9 Ų53.917%0.16729%0.288CS..G310 helixtrans-108.912.4-175.6-51.9-73.6000113.3A30 R31 L34 F62 E63 K67 S68 F69A30-F65 HydrophobicContact CB-CD2 4.17Å; A30-F65 HydrophobicContact CB-CE2 3.74Å; R31-F65 HydrophobicContact CG-CE1 3.76Å; R31-F65 HydrophobicContact CG-CE2 4.3Å; R31-F65 HydrophobicContact CG-CZ 3.38Å; L34-F65 HydrophobicContact CD1-CB 3.31Å; L34-F65 HydrophobicContact CD1-CD1 3.46Å; L34-F65 VanDerWaalsContact CD1-CD1 3.46Å; L34-F65 HydrophobicContact CD1-CD2 3.55Å; L34-F65 HydrophobicContact CD1-CE1 4.14Å; L34-F65 HydrophobicContact CD1-CE2 4.21Å; L34-F65 HydrophobicContact CD1-CG 3.12Å; L34-F65 HydrophobicContact CD1-CZ 4.48Å; L34-F65 HydrophobicContact CD2-CB 4.49Å; F62-F65 CarbonylContact O-C 3.5Å; F62-F65 WeakPolarHBondContact O-CA 3.49Å; F62-F65 PolarHBondContact O-N 2.75Å; E63-F65 PolarHBondContact O-N 3.41Å; F65-K67 VanDerWaalsContact C-N 3.25Å; F65-K67 PolarHBondContact O-N 3.4Å; F65-K67 VanDerWaalsContact O-N 3.07Å; F65-S68 WeakPolarHBondContact O-CA 3.48Å; F65-S68 WeakPolarHBondContact O-CB 3.43Å; F65-S68 PolarHBondContact O-N 2.87Å; F65-S68 PolarHBondContact O-OG 2.99Å; F65-F69 HydrophobicContact CB-CE2 4.41Å
66L95.6Very high92.6Very high13 Ų1355.1 Ų55.17%0.06830%0.297CS..G310 helixtrans-43.7-45.5-175.6177.6149000114.2F62 E63 S68 F69 F70 L87 I90 N95 I98 I99F62-L66 PolarHBondContact O-N 3.07Å; E63-L66 WeakPolarHBondContact O-CB 3.24Å; E63-L66 PolarHBondContact O-N 3.18Å; L66-S68 PolarHBondContact O-N 3.26Å; L66-S68 VanDerWaalsContact O-N 3.14Å; L66-F69 PolarHBondContact O-N 2.95Å; L66-F70 HydrophobicContact CD2-CD1 4.49Å; L66-F70 HydrophobicContact CD2-CE1 3.4Å; L66-F70 VanDerWaalsContact CD2-CE1 3.4Å; L66-F70 HydrophobicContact CD2-CZ 3.57Å; L66-F70 HydrophobicContact CG-CE1 4.42Å; L66-L87 HydrophobicContact CG-CD2 4.14Å; L66-I90 HydrophobicContact CB-CD1 3.95Å; L66-I90 HydrophobicContact CD1-CD1 3.95Å; L66-I90 HydrophobicContact CD1-CG1 4.4Å; L66-I90 HydrophobicContact CG-CD1 3.88Å; L66-N95 HydrophobicContact CD1-CB 3.93Å; L66-I98 HydrophobicContact CD2-CG2 4.12Å; L66-I99 HydrophobicContact CD1-CD1 3.71Å; L66-I99 HydrophobicContact CD1-CG1 3.68Å; L66-I99 HydrophobicContact CG-CG1 4.41Å
67K95.4Very high92.5Very high153 Ų15356.4 Ų56.467%0.66530%0.301SS*.G310 helixtrans-60.7-24.1178.9-63.4-173.6178.5-177.20114F65 F69 F70F65-K67 VanDerWaalsContact C-N 3.25Å; F65-K67 PolarHBondContact O-N 3.4Å; F65-K67 VanDerWaalsContact O-N 3.07Å; K67-F69 PolarHBondContact O-N 2.81Å; K67-F70 HydrophobicContact CB-CD2 4.29Å; K67-F70 HydrophobicContact CB-CE2 4.14Å; K67-F70 HydrophobicContact CG-CE2 3.88Å; K67-F70 HydrophobicContact CG-CZ 4.13Å; K67-F70 WeakPolarHBondContact O-CB 3.11Å; K67-F70 PolarHBondContact O-N 3.01Å
68S95.1Very high92.8Very high20 Ų2057 Ų5714%0.1430%0.304CS..G310 helixtrans-69.4-20.3176.9-55.80000112.4F65 L66F65-S68 WeakPolarHBondContact O-CA 3.48Å; F65-S68 WeakPolarHBondContact O-CB 3.43Å; F65-S68 PolarHBondContact O-N 2.87Å; F65-S68 PolarHBondContact O-OG 2.99Å; L66-S68 PolarHBondContact O-N 3.26Å; L66-S68 VanDerWaalsContact O-N 3.14Å
69F97.4Very high93Very high0 Ų053.6 Ų53.60%029%0.291CS..G310 helixtrans-94.96177.2-52.6-66.6000112.8L34 L37 L48 I51 F62 F65 L66 K67 V71 K83 I86 L87 I90L34-F69 HydrophobicContact CD2-CE1 3.74Å; L34-F69 HydrophobicContact CD2-CE2 4.35Å; L34-F69 HydrophobicContact CD2-CZ 3.57Å; L37-F69 HydrophobicContact CD1-CE1 4.46Å; L48-F69 HydrophobicContact CD2-CD1 4.29Å; L48-F69 HydrophobicContact CD2-CE1 4.41Å; I51-F69 HydrophobicContact CD1-CE1 4.14Å; I51-F69 HydrophobicContact CG2-CE1 3.88Å; I51-F69 HydrophobicContact CG2-CZ 3.97Å; F62-F69 HydrophobicContact CB-CE2 3.98Å; F62-F69 HydrophobicContact CB-CZ 4.27Å; F62-F69 HydrophobicContact CD1-CE2 4.41Å; F62-F69 AromaticContact CD1-CZ 3.91Å; F62-F69 HydrophobicContact CD1-CZ 3.91Å; F62-F69 HydrophobicContact CG-CE2 4.47Å; F62-F69 HydrophobicContact CG-CZ 4.27Å; F65-F69 HydrophobicContact CB-CE2 4.41Å; L66-F69 PolarHBondContact O-N 2.95Å; K67-F69 PolarHBondContact O-N 2.81Å; F69-V71 PolarHBondContact O-N 3.02Å; F69-K83 WeakPolarHBondContact O-CB 3.34Å; F69-I86 HydrophobicContact CD1-CB 4.4Å; F69-I86 HydrophobicContact CD1-CD1 4.06Å; F69-I86 HydrophobicContact CD1-CG2 3.86Å; F69-I86 HydrophobicContact CD2-CG2 3.9Å; F69-I86 HydrophobicContact CE1-CD1 4.13Å; F69-I86 HydrophobicContact CE1-CG2 3.96Å; F69-I86 HydrophobicContact CE2-CG2 4Å; F69-I86 HydrophobicContact CG-CB 4.49Å; F69-I86 HydrophobicContact CG-CG2 3.82Å; F69-I86 HydrophobicContact CZ-CG2 4.01Å; F69-L87 HydrophobicContact CB-CD2 3.85Å; F69-L87 HydrophobicContact CB-CG 3.94Å; F69-L87 WeakPolarHBondContact O-CD1 3.47Å; F69-I90 HydrophobicContact CD2-CD1 4.12Å
70F97.4Very high93.1Very high41 Ų4154 Ų5418%0.1829%0.29CS..  trans-64.7137.5170.8-66.5-10.8000110.9L66 K67 K83 L87 I98 E102 Y106L66-F70 HydrophobicContact CD2-CD1 4.49Å; L66-F70 HydrophobicContact CD2-CE1 3.4Å; L66-F70 VanDerWaalsContact CD2-CE1 3.4Å; L66-F70 HydrophobicContact CD2-CZ 3.57Å; L66-F70 HydrophobicContact CG-CE1 4.42Å; K67-F70 HydrophobicContact CB-CD2 4.29Å; K67-F70 HydrophobicContact CB-CE2 4.14Å; K67-F70 HydrophobicContact CG-CE2 3.88Å; K67-F70 HydrophobicContact CG-CZ 4.13Å; K67-F70 WeakPolarHBondContact O-CB 3.11Å; K67-F70 PolarHBondContact O-N 3.01Å; F70-K83 PolarHBondContact O-NZ 3.03Å; F70-L87 HydrophobicContact CD1-CD1 4.29Å; F70-L87 HydrophobicContact CD1-CD2 4.09Å; F70-L87 HydrophobicContact CE1-CD2 4.17Å; F70-I98 HydrophobicContact CZ-CG2 3.95Å; F70-E102 HydrophobicContact CD1-CG 3.83Å; F70-E102 HydrophobicContact CE1-CB 4.26Å; F70-E102 HydrophobicContact CE1-CG 3.96Å; F70-E102 HydrophobicContact CG-CG 4.15Å; F70-E102 HydrophobicContact CZ-CG 4.41Å; F70-Y106 WeakPolarHBondContact CA-OH 3.43Å
71V94.7Very high93.3Very high21 Ų2154.7 Ų54.713%0.12729%0.286CS..  trans-78.7132.5-176176.10000108.5F69 K80 K83 Y106 F114F69-V71 PolarHBondContact O-N 3.02Å; V71-K80 HydrophobicContact CG1-CB 3.87Å; V71-K80 HydrophobicContact CG1-CD 3.73Å; V71-K80 HydrophobicContact CG1-CG 3.53Å; V71-K80 HydrophobicContact CG2-CB 4.49Å; V71-K83 HydrophobicContact CG2-CB 3.85Å; V71-K83 HydrophobicContact CG2-CD 4.25Å; V71-Y106 HydrophobicContact CB-CD1 4.45Å; V71-Y106 HydrophobicContact CB-CE1 3.74Å; V71-Y106 HydrophobicContact CB-CE2 4.14Å; V71-Y106 HydrophobicContact CG2-CE1 4.36Å; V71-Y106 HydrophobicContact CG2-CE2 3.85Å; V71-Y106 PolarHBondContact N-OH 2.83Å; V71-F114 HydrophobicContact CB-CZ 4.47Å; V71-F114 HydrophobicContact CG1-CE1 4.42Å; V71-F114 HydrophobicContact CG1-CZ 4.13Å; V71-F114 HydrophobicContact CG2-CZ 4.07Å
72R92Very high93.5Very high103 Ų10355.1 Ų55.139%0.38929%0.288SS..  trans-107155.5179.9-58.8176.5177.1-162.1-13.9110.3N74 D75R72-N74 WeakPolarHBondContact CB-OD1 3.41Å; R72-N74 PolarHBondContact O-N 3.43Å; R72-D75 PolarHBondContact N-OD2 3.25Å; R72-D75 WeakPolarHBondContact O-CB 3.48Å; R72-D75 PolarHBondContact O-N 3.22Å; R72-D75 VanDerWaalsContact O-N 3.11Å
73S87.2Confident93.6Very high124 Ų12455.8 Ų55.887%0.86729%0.291SS*.THydrogen-bonded Turntrans-60.7-32.7179.6-50.50000113.1
74N88.4Confident93.8Very high134 Ų13453.8 Ų53.872%0.71728%0.282SS*.THydrogen-bonded Turntrans-86.8-2.1179.665.2-22.6000114.4R72R72-N74 WeakPolarHBondContact CB-OD1 3.41Å; R72-N74 PolarHBondContact O-N 3.43Å
75D91.3Very high94Very high21 Ų2149.8 Ų49.811%0.11225%0.254CS..SBendtrans-67.6141.2176.9-73.3-26.2000110.5R72 V79 K80 K83R72-D75 PolarHBondContact N-OD2 3.25Å; R72-D75 WeakPolarHBondContact O-CB 3.48Å; R72-D75 PolarHBondContact O-N 3.22Å; R72-D75 VanDerWaalsContact O-N 3.11Å; D75-V79 HydrophobicContact CB-CB 4.18Å; D75-V79 HydrophobicContact CB-CG1 3.83Å; D75-K80 HydrophobicContact CB-CG 3.77Å; D75-K80 WeakPolarHBondContact O-CE 3.4Å; D75-K83 IonicContact OD1-NZ 3.45Å; D75-K83 PolarHBondContact OD1-NZ 3.4Å; D75-K83 IonicContact OD2-NZ 2.71Å; D75-K83 PolarHBondContact OD2-NZ 3.31Å
76S91.2Very high94.1Very high28 Ų2848 Ų4820%0.19625%0.246CC..  trans-68.2153.9169.972.70000110.4Q78 V79 K80S76-Q78 PolarHBondContact O-N 3.27Å; S76-Q78 VanDerWaalsContact O-N 3.1Å; S76-V79 WeakPolarHBondContact O-CA 3.33Å; S76-V79 WeakPolarHBondContact O-CB 3.23Å; S76-V79 PolarHBondContact O-N 2.87Å; S76-V79 WeakPolarHBondContact OG-CG2 3.35Å; S76-V79 PolarHBondContact OG-N 2.91Å; S76-K80 WeakPolarHBondContact O-CG 3.31Å; S76-K80 PolarHBondContact O-N 3.5Å
77I89.9Confident94.2Very high75 Ų7547.3 Ų47.339%0.38524%0.243SC..Hα-helixtrans-53.7-38.3-178-162.8156.8000113K80 L81 D111I77-K80 WeakPolarHBondContact O-CB 3.11Å; I77-K80 PolarHBondContact O-N 3.35Å; I77-L81 HydrophobicContact CG1-CD1 4.46Å; I77-L81 VanDerWaalsContact O-CG 3.31Å; I77-L81 WeakPolarHBondContact O-CG 3.33Å; I77-L81 PolarHBondContact O-N 3.14Å; I77-D111 WeakPolarHBondContact CD1-OD2 3.32Å
78Q91Very high94.3Very high114 Ų11440.4 Ų40.453%0.53321%0.213SC..Hα-helixtrans-63.9-42.5175.7-68137.7-200112.2S76 K80 L81 L82S76-Q78 PolarHBondContact O-N 3.27Å; S76-Q78 VanDerWaalsContact O-N 3.1Å; Q78-K80 VanDerWaalsContact C-N 3.34Å; Q78-L81 PolarHBondContact O-N 3.05Å; Q78-L82 WeakPolarHBondContact O-CB 3.29Å; Q78-L82 VanDerWaalsContact O-CG 3.26Å; Q78-L82 WeakPolarHBondContact O-CG 3.43Å; Q78-L82 PolarHBondContact O-N 3.12Å
79V94Very high94.3Very high1 Ų140.9 Ų40.91%0.00621%0.214CC..Hα-helixtrans-63.8-42.1175.1169.70000110.3Q44 L48 D75 S76 L82 K83Q44-V79 HydrophobicContact CB-CG2 4.38Å; L48-V79 HydrophobicContact CD1-CB 4.3Å; L48-V79 HydrophobicContact CD1-CG1 3.76Å; L48-V79 HydrophobicContact CD1-CG2 4.23Å; D75-V79 HydrophobicContact CB-CB 4.18Å; D75-V79 HydrophobicContact CB-CG1 3.83Å; S76-V79 WeakPolarHBondContact O-CA 3.33Å; S76-V79 WeakPolarHBondContact O-CB 3.23Å; S76-V79 PolarHBondContact O-N 2.87Å; S76-V79 WeakPolarHBondContact OG-CG2 3.35Å; S76-V79 PolarHBondContact OG-N 2.91Å; V79-L82 PolarHBondContact O-N 3.26Å; V79-K83 HydrophobicContact CG1-CD 4.09Å; V79-K83 HydrophobicContact CG1-CG 4.44Å; V79-K83 WeakPolarHBondContact O-CB 3.46Å; V79-K83 WeakPolarHBondContact O-CG 3.21Å; V79-K83 PolarHBondContact O-N 2.81Å
80K94.3Very high94.2Very high34 Ų3440.9 Ų40.915%0.14821%0.214CC..Hα-helixtrans-58.4-49.3176.2-57.1-165.7177.1175.20111.5V71 D75 S76 I77 Q78 K83 L84 F114V71-K80 HydrophobicContact CG1-CB 3.87Å; V71-K80 HydrophobicContact CG1-CD 3.73Å; V71-K80 HydrophobicContact CG1-CG 3.53Å; V71-K80 HydrophobicContact CG2-CB 4.49Å; D75-K80 HydrophobicContact CB-CG 3.77Å; D75-K80 WeakPolarHBondContact O-CE 3.4Å; S76-K80 WeakPolarHBondContact O-CG 3.31Å; S76-K80 PolarHBondContact O-N 3.5Å; I77-K80 WeakPolarHBondContact O-CB 3.11Å; I77-K80 PolarHBondContact O-N 3.35Å; Q78-K80 VanDerWaalsContact C-N 3.34Å; K80-K83 PolarHBondContact O-N 2.99Å; K80-L84 VanDerWaalsContact O-CB 3.31Å; K80-L84 WeakPolarHBondContact O-CB 3.38Å; K80-L84 PolarHBondContact O-N 2.92Å; K80-F114 HydrophobicContact CB-CD2 3.83Å; K80-F114 HydrophobicContact CB-CE2 3.52Å; K80-F114 HydrophobicContact CB-CZ 4Å; K80-F114 HydrophobicContact CD-CD1 4.42Å; K80-F114 HydrophobicContact CD-CD2 4.49Å; K80-F114 HydrophobicContact CD-CE1 4.43Å; K80-F114 HydrophobicContact CD-CG 4.45Å
81L95.1Very high94.2Very high69 Ų6939.8 Ų39.836%0.36121%0.213SC..Hα-helixtrans-63.5-42.5179.7-69.1174.8000112.5I77 Q78 L84 E85 F114 E117I77-L81 HydrophobicContact CG1-CD1 4.46Å; I77-L81 VanDerWaalsContact O-CG 3.31Å; I77-L81 WeakPolarHBondContact O-CG 3.33Å; I77-L81 PolarHBondContact O-N 3.14Å; Q78-L81 PolarHBondContact O-N 3.05Å; L81-L84 PolarHBondContact O-N 3.45Å; L81-E85 WeakPolarHBondContact O-CB 3.46Å; L81-E85 PolarHBondContact O-N 3.21Å; L81-F114 HydrophobicContact CD2-CD2 4.01Å; L81-E117 HydrophobicContact CD2-CB 3.73Å; L81-E117 HydrophobicContact CD2-CG 3.69Å
82L96.4Very high94.1Very high19 Ų1942.1 Ų42.110%0.09922%0.221CC..Hα-helixtrans-66.5-41.1177.6-71168.7000112L48 A52 Q78 V79 E85 I86 F305L48-L82 HydrophobicContact CB-CB 3.82Å; L48-L82 HydrophobicContact CB-CD1 3.77Å; L48-L82 HydrophobicContact CB-CG 4.35Å; L48-L82 HydrophobicContact CD1-CB 4.36Å; A52-L82 HydrophobicContact CB-CD2 4.5Å; Q78-L82 WeakPolarHBondContact O-CB 3.29Å; Q78-L82 VanDerWaalsContact O-CG 3.26Å; Q78-L82 WeakPolarHBondContact O-CG 3.43Å; Q78-L82 PolarHBondContact O-N 3.12Å; V79-L82 PolarHBondContact O-N 3.26Å; L82-E85 PolarHBondContact O-N 2.64Å; L82-I86 WeakPolarHBondContact O-CD1 3.3Å; L82-I86 VanDerWaalsContact O-CG1 3.23Å; L82-I86 WeakPolarHBondContact O-CG1 3.4Å; L82-I86 PolarHBondContact O-N 3.08Å; L82-F305 HydrophobicContact CD2-CE1 4.31Å; L82-F305 HydrophobicContact CD2-CE2 4.18Å; L82-F305 HydrophobicContact CD2-CZ 3.48Å; L82-F305 VanDerWaalsContact CD2-CZ 3.48Å
83K97.3Very high94.3Very high13 Ų1340.9 Ų40.96%0.05723%0.226CC..Hα-helixtrans-62-46.1174.5-84.1-178.1174.6-175.90111.8L48 F69 F70 V71 D75 V79 K80 E85 I86 L87L48-K83 HydrophobicContact CD1-CG 4.33Å; L48-K83 HydrophobicContact CD2-CG 4.29Å; F69-K83 WeakPolarHBondContact O-CB 3.34Å; F70-K83 PolarHBondContact O-NZ 3.03Å; V71-K83 HydrophobicContact CG2-CB 3.85Å; V71-K83 HydrophobicContact CG2-CD 4.25Å; D75-K83 IonicContact OD1-NZ 3.45Å; D75-K83 PolarHBondContact OD1-NZ 3.4Å; D75-K83 IonicContact OD2-NZ 2.71Å; D75-K83 PolarHBondContact OD2-NZ 3.31Å; V79-K83 HydrophobicContact CG1-CD 4.09Å; V79-K83 HydrophobicContact CG1-CG 4.44Å; V79-K83 WeakPolarHBondContact O-CB 3.46Å; V79-K83 WeakPolarHBondContact O-CG 3.21Å; V79-K83 PolarHBondContact O-N 2.81Å; K80-K83 PolarHBondContact O-N 2.99Å; K83-E85 VanDerWaalsContact C-N 3.29Å; K83-E85 PolarHBondContact O-N 2.88Å; K83-I86 PolarHBondContact O-N 2.9Å; K83-L87 WeakPolarHBondContact O-CB 3.39Å; K83-L87 WeakPolarHBondContact O-CG 3.21Å; K83-L87 PolarHBondContact O-N 3.41Å
84L97.5Very high94.6Very high4 Ų439.7 Ų39.72%0.02122%0.218CC..Hα-helixtrans-57.7-43.2174.7178.464.5000111.6K80 L81 L87 T88 L103 Y106 F114 E117 A121K80-L84 VanDerWaalsContact O-CB 3.31Å; K80-L84 WeakPolarHBondContact O-CB 3.38Å; K80-L84 PolarHBondContact O-N 2.92Å; L81-L84 PolarHBondContact O-N 3.45Å; L84-L87 PolarHBondContact O-N 2.89Å; L84-T88 PolarHBondContact O-N 3.42Å; L84-T88 PolarHBondContact O-OG1 3.48Å; L84-L103 HydrophobicContact CD1-CD2 3.36Å; L84-Y106 HydrophobicContact CD1-CD2 4.44Å; L84-F114 HydrophobicContact CB-CE2 4.25Å; L84-F114 HydrophobicContact CD2-CE2 3.96Å; L84-E117 HydrophobicContact CD2-CB 3.93Å; L84-A121 HydrophobicContact CD1-CB 3.65Å; L84-A121 HydrophobicContact CD2-CB 4.35Å; L84-A121 HydrophobicContact CG-CB 3.99Å
85E97.1Very high95Very high20 Ų2034 Ų349%0.09319%0.188CC..Hα-helixtrans-62.5-46.4177.2-174.365.1-178.300112.2L81 L82 K83 T88 N89 R124 S303 G304 F305L81-E85 WeakPolarHBondContact O-CB 3.46Å; L81-E85 PolarHBondContact O-N 3.21Å; L82-E85 PolarHBondContact O-N 2.64Å; K83-E85 VanDerWaalsContact C-N 3.29Å; K83-E85 PolarHBondContact O-N 2.88Å; E85-T88 PolarHBondContact O-N 3.1Å; E85-N89 VanDerWaalsContact O-CG 3.28Å; E85-N89 PolarHBondContact O-N 3.2Å; E85-R124 IonicContact OE1-NH1 3.79Å; E85-R124 PolarHBondContact OE1-NH1 3.44Å; E85-R124 IonicContact OE2-CZ 3.37Å; E85-R124 IonicContact OE2-NH1 2.65Å; E85-R124 PolarHBondContact OE2-NH1 2.91Å; E85-R124 IonicContact OE2-NH2 3.28Å; E85-R124 PolarHBondContact OE2-NH2 3.45Å; E85-S303 VanDerWaalsContact OE1-CA 3.26Å; E85-S303 WeakPolarHBondContact OE1-CA 3.41Å; E85-S303 WeakPolarHBondContact OE1-CB 3.43Å; E85-S303 PolarHBondContact OE1-OG 3Å; E85-G304 PolarHBondContact OE1-N 3.31Å; E85-F305 HydrophobicContact CG-CD2 3.69Å; E85-F305 HydrophobicContact CG-CE2 3.85Å
86I97.7Very high95.2Very high0 Ų033.3 Ų33.30%018%0.184CC..Hα-helixtrans-62.8-46.6177.2-65158.7000110.7L48 I51 A52 F69 L82 K83 T88 N89 I90L48-I86 HydrophobicContact CB-CD1 4.35Å; L48-I86 HydrophobicContact CD2-CD1 3.65Å; I51-I86 HydrophobicContact CB-CD1 3.94Å; I51-I86 HydrophobicContact CG2-CD1 3.53Å; I51-I86 HydrophobicContact CG2-CG1 3.89Å; I51-I86 HydrophobicContact CG2-CG2 3.99Å; A52-I86 HydrophobicContact CB-CD1 4.48Å; A52-I86 HydrophobicContact CB-CG1 3.93Å; F69-I86 HydrophobicContact CD1-CB 4.4Å; F69-I86 HydrophobicContact CD1-CD1 4.06Å; F69-I86 HydrophobicContact CD1-CG2 3.86Å; F69-I86 HydrophobicContact CD2-CG2 3.9Å; F69-I86 HydrophobicContact CE1-CD1 4.13Å; F69-I86 HydrophobicContact CE1-CG2 3.96Å; F69-I86 HydrophobicContact CE2-CG2 4Å; F69-I86 HydrophobicContact CG-CB 4.49Å; F69-I86 HydrophobicContact CG-CG2 3.82Å; F69-I86 HydrophobicContact CZ-CG2 4.01Å; L82-I86 WeakPolarHBondContact O-CD1 3.3Å; L82-I86 VanDerWaalsContact O-CG1 3.23Å; L82-I86 WeakPolarHBondContact O-CG1 3.4Å; L82-I86 PolarHBondContact O-N 3.08Å; K83-I86 PolarHBondContact O-N 2.9Å; I86-T88 PolarHBondContact O-N 2.82Å; I86-N89 PolarHBondContact O-N 3.39Å; I86-N89 VanDerWaalsContact O-N 3.1Å; I86-I90 HydrophobicContact CG2-CG2 4.29Å; I86-I90 WeakPolarHBondContact O-CG1 3.42Å; I86-I90 WeakPolarHBondContact O-CG2 3.45Å; I86-I90 PolarHBondContact O-N 3.25Å
87L98Very high95.4Very high0 Ų034 Ų340%019%0.191CC..Hα-helixtrans-55.6-40.1176.5-76.2174.4000111.4L66 F69 F70 K83 L84 I90 A91 Y106L66-L87 HydrophobicContact CG-CD2 4.14Å; F69-L87 HydrophobicContact CB-CD2 3.85Å; F69-L87 HydrophobicContact CB-CG 3.94Å; F69-L87 WeakPolarHBondContact O-CD1 3.47Å; F70-L87 HydrophobicContact CD1-CD1 4.29Å; F70-L87 HydrophobicContact CD1-CD2 4.09Å; F70-L87 HydrophobicContact CE1-CD2 4.17Å; K83-L87 WeakPolarHBondContact O-CB 3.39Å; K83-L87 WeakPolarHBondContact O-CG 3.21Å; K83-L87 PolarHBondContact O-N 3.41Å; L84-L87 PolarHBondContact O-N 2.89Å; L87-I90 HydrophobicContact CD2-CD1 4.21Å; L87-I90 WeakPolarHBondContact O-CG1 3.31Å; L87-A91 PolarHBondContact O-N 3Å; L87-Y106 HydrophobicContact CD1-CE2 4.23Å
88T96.9Very high95.7Very high7 Ų734.8 Ų34.84%0.04320%0.195CC..Hα-helixtrans-69.9-38.3178.1-49.10000112L84 E85 I86 A91 A121 R124L84-T88 PolarHBondContact O-N 3.42Å; L84-T88 PolarHBondContact O-OG1 3.48Å; E85-T88 PolarHBondContact O-N 3.1Å; I86-T88 PolarHBondContact O-N 2.82Å; T88-A91 WeakPolarHBondContact O-CB 3.47Å; T88-A91 PolarHBondContact O-N 3.21Å; T88-A121 HydrophobicContact CG2-CB 4.41Å; T88-A121 VanDerWaalsContact OG1-CB 3.27Å; T88-A121 WeakPolarHBondContact OG1-CB 3.41Å; T88-R124 HydrophobicContact CG2-CB 3.72Å; T88-R124 PolarHBondContact OG1-NH2 2.79Å
89N95.5Very high96Very high30 Ų3029.3 Ų29.316%0.1617%0.17CC..Hα-helixtrans-71-30.9178.7-69.2-14.3000113.2S55 S59 E85 I86 A91S55-N89 WeakPolarHBondContact OG-CB 3.23Å; S55-N89 PolarHBondContact OG-ND2 3.25Å; S59-N89 WeakPolarHBondContact CB-O 3.46Å; E85-N89 VanDerWaalsContact O-CG 3.28Å; E85-N89 PolarHBondContact O-N 3.2Å; I86-N89 PolarHBondContact O-N 3.39Å; I86-N89 VanDerWaalsContact O-N 3.1Å; N89-A91 VanDerWaalsContact C-N 3.34Å
90I96Very high96.2Very high0 Ų029.7 Ų29.70%017%0.172CC..THydrogen-bonded Turntrans-87.5-1.8177.970.8179.9000113.8F62 L66 F69 I86 L87 K92 N95 I99F62-I90 HydrophobicContact CB-CG2 3.97Å; L66-I90 HydrophobicContact CB-CD1 3.95Å; L66-I90 HydrophobicContact CD1-CD1 3.95Å; L66-I90 HydrophobicContact CD1-CG1 4.4Å; L66-I90 HydrophobicContact CG-CD1 3.88Å; F69-I90 HydrophobicContact CD2-CD1 4.12Å; I86-I90 HydrophobicContact CG2-CG2 4.29Å; I86-I90 WeakPolarHBondContact O-CG1 3.42Å; I86-I90 WeakPolarHBondContact O-CG2 3.45Å; I86-I90 PolarHBondContact O-N 3.25Å; L87-I90 HydrophobicContact CD2-CD1 4.21Å; L87-I90 WeakPolarHBondContact O-CG1 3.31Å; I90-K92 PolarHBondContact O-N 3.45Å; I90-N95 PolarHBondContact O-ND2 2.72Å; I90-I99 HydrophobicContact CG1-CD1 4.43Å
91A96.1Very high96.2Very high19 Ų1936.4 Ų36.416%0.15720%0.196CC..  trans-65.2125.2-178.800000111.6L87 T88 N89 I96 I99 I129L87-A91 PolarHBondContact O-N 3Å; T88-A91 WeakPolarHBondContact O-CB 3.47Å; T88-A91 PolarHBondContact O-N 3.21Å; N89-A91 VanDerWaalsContact C-N 3.34Å; A91-I96 HydrophobicContact CB-CD1 4.17Å; A91-I99 HydrophobicContact CB-CD1 3.73Å; A91-I129 HydrophobicContact CB-CD1 4.43Å
92K94.4Very high96.2Very high69 Ų6935.2 Ų35.230%0.319%0.189SC..  trans-140.3160.3178.6-70.9-165.3-178.3170.90110.5E63 I90 S94 N95 I96E63-K92 WeakPolarHBondContact OE1-CD 3.36Å; E63-K92 WeakPolarHBondContact OE1-CE 3.39Å; E63-K92 IonicContact OE1-NZ 2.94Å; E63-K92 PolarHBondContact OE1-NZ 2.86Å; I90-K92 PolarHBondContact O-N 3.45Å; K92-S94 PolarHBondContact O-N 3.48Å; K92-N95 PolarHBondContact N-OD1 3.33Å; K92-N95 PolarHBondContact O-N 2.92Å; K92-N95 PolarHBondContact O-OD1 2.87Å; K92-I96 VanDerWaalsContact O-CB 3.31Å; K92-I96 WeakPolarHBondContact O-CB 3.36Å; K92-I96 PolarHBondContact O-N 2.69Å
93P95Very high96.1Very high77 Ų7734.3 Ų34.350%0.518%0.184SC..THydrogen-bonded Turntrans-47.9-33.7175.7-32.537.8000114.7I129 E131P93-I129 HydrophobicContact CG-CG2 4.33Å; P93-E131 WeakPolarHBondContact CB-OE2 3.35Å
94S94.2Very high95.9Very high100 Ų10035.7 Ų35.770%0.69919%0.191SC*.THydrogen-bonded Turntrans-71.4-26.2-179.854.60000115.2K92K92-S94 PolarHBondContact O-N 3.48Å
95N95.8Very high95.6Very high15 Ų1539.5 Ų39.58%0.0821%0.214CC..THydrogen-bonded Turntrans-125.4-6.8-172.167.518.9000113.8L66 I90 K92 A97 I98 I99L66-N95 HydrophobicContact CD1-CB 3.93Å; I90-N95 PolarHBondContact O-ND2 2.72Å; K92-N95 PolarHBondContact N-OD1 3.33Å; K92-N95 PolarHBondContact O-N 2.92Å; K92-N95 PolarHBondContact O-OD1 2.87Å; N95-A97 VanDerWaalsContact C-N 3.29Å; N95-A97 PolarHBondContact O-N 3.42Å; N95-I98 WeakPolarHBondContact O-CB 3.26Å; N95-I98 PolarHBondContact O-N 2.88Å; N95-I99 PolarHBondContact O-N 2.97Å; N95-I99 WeakPolarHBondContact OD1-CD1 3.31Å
96I96.7Very high95.4Very high5 Ų538.9 Ų38.93%0.02621%0.211CC..Hα-helixtrans-58.9-36.3-172.5-174.657.3000113.3A91 K92 I98 I99 L100 C125 I129 V132A91-I96 HydrophobicContact CB-CD1 4.17Å; K92-I96 VanDerWaalsContact O-CB 3.31Å; K92-I96 WeakPolarHBondContact O-CB 3.36Å; K92-I96 PolarHBondContact O-N 2.69Å; I96-I98 VanDerWaalsContact C-N 3.27Å; I96-I98 PolarHBondContact O-N 3.28Å; I96-I99 PolarHBondContact O-N 2.86Å; I96-L100 HydrophobicContact CD1-CD1 4.08Å; I96-L100 HydrophobicContact CD1-CD2 4.08Å; I96-L100 HydrophobicContact CD1-CG 3.69Å; I96-L100 HydrophobicContact CG1-CD1 3.81Å; I96-L100 HydrophobicContact CG1-CG 3.92Å; I96-L100 WeakPolarHBondContact O-CB 3.41Å; I96-L100 WeakPolarHBondContact O-CG 3.49Å; I96-L100 PolarHBondContact O-N 2.86Å; I96-C125 HydrophobicContact CD1-CB 3.84Å; I96-I129 HydrophobicContact CB-CD1 3.81Å; I96-I129 HydrophobicContact CD1-CD1 3.85Å; I96-I129 HydrophobicContact CG1-CD1 3.74Å; I96-I129 HydrophobicContact CG2-CD1 4.43Å; I96-V132 HydrophobicContact CG1-CG1 3.96Å; I96-V132 HydrophobicContact CG1-CG2 3.97Å; I96-V132 HydrophobicContact CG2-CG1 3.85Å
97A95.6Very high94.9Very high42 Ų4239.8 Ų39.835%0.34722%0.216SC..Hα-helixtrans-60-38.6178.300000112.2N95 R101N95-A97 VanDerWaalsContact C-N 3.29Å; N95-A97 PolarHBondContact O-N 3.42Å; A97-R101 WeakPolarHBondContact O-CB 3.45Å; A97-R101 PolarHBondContact O-N 3.11Å
98I96.3Very high94.1Very high92 Ų9243 Ų4347%0.47224%0.242SC..Hα-helixtrans-70.3-44.3177.7-58.6172.7000109.8L66 F70 N95 I96 R101 E102L66-I98 HydrophobicContact CD2-CG2 4.12Å; F70-I98 HydrophobicContact CZ-CG2 3.95Å; N95-I98 WeakPolarHBondContact O-CB 3.26Å; N95-I98 PolarHBondContact O-N 2.88Å; I96-I98 VanDerWaalsContact C-N 3.27Å; I96-I98 PolarHBondContact O-N 3.28Å; I98-R101 PolarHBondContact O-N 3.36Å; I98-E102 PolarHBondContact O-N 3.48Å; I98-E102 VanDerWaalsContact O-N 3.12Å
99I97.3Very high93.2Very high0 Ų045.2 Ų45.20%026%0.256CS..Hα-helixtrans-62.9-49.6-179.9-64.1171.3000110.2L66 I90 A91 N95 I96 R101 E102 L103L66-I99 HydrophobicContact CD1-CD1 3.71Å; L66-I99 HydrophobicContact CD1-CG1 3.68Å; L66-I99 HydrophobicContact CG-CG1 4.41Å; I90-I99 HydrophobicContact CG1-CD1 4.43Å; A91-I99 HydrophobicContact CB-CD1 3.73Å; N95-I99 PolarHBondContact O-N 2.97Å; N95-I99 WeakPolarHBondContact OD1-CD1 3.31Å; I96-I99 PolarHBondContact O-N 2.86Å; I99-R101 VanDerWaalsContact C-N 3.33Å; I99-R101 PolarHBondContact O-N 2.83Å; I99-E102 WeakPolarHBondContact O-CB 3.15Å; I99-E102 PolarHBondContact O-N 2.84Å; I99-E102 VanDerWaalsContact O-N 3.09Å; I99-L103 HydrophobicContact CG2-CD1 4.05Å; I99-L103 HydrophobicContact CG2-CG 4.03Å; I99-L103 WeakPolarHBondContact O-CG 3.1Å; I99-L103 PolarHBondContact O-N 2.88Å
100L96.4Very high92.2Very high8 Ų853.2 Ų53.24%0.04229%0.29CS..Hα-helixtrans-61.7-40.3-178.7-70.7179.2000112.2I96 E102 L103 Q104 I122 C125 V132 I475I96-L100 HydrophobicContact CD1-CD1 4.08Å; I96-L100 HydrophobicContact CD1-CD2 4.08Å; I96-L100 HydrophobicContact CD1-CG 3.69Å; I96-L100 HydrophobicContact CG1-CD1 3.81Å; I96-L100 HydrophobicContact CG1-CG 3.92Å; I96-L100 WeakPolarHBondContact O-CB 3.41Å; I96-L100 WeakPolarHBondContact O-CG 3.49Å; I96-L100 PolarHBondContact O-N 2.86Å; L100-E102 VanDerWaalsContact C-N 3.28Å; L100-E102 PolarHBondContact O-N 2.84Å; L100-L103 PolarHBondContact O-N 2.94Å; L100-Q104 VanDerWaalsContact O-CG 3.28Å; L100-Q104 WeakPolarHBondContact O-CG 3.33Å; L100-Q104 PolarHBondContact O-N 3Å; L100-I122 HydrophobicContact CD2-CG1 4.42Å; L100-I122 HydrophobicContact CD2-CG2 4.47Å; L100-C125 HydrophobicContact CD2-CB 4.34Å; L100-V132 HydrophobicContact CD1-CB 3.94Å; L100-V132 HydrophobicContact CD1-CG1 4.06Å; L100-V132 HydrophobicContact CD1-CG2 4.15Å; L100-I475 HydrophobicContact CB-CD1 4.44Å; L100-I475 HydrophobicContact CD1-CD1 4.05Å
101R94.4Very high91.6Very high176 Ų17655.3 Ų55.366%0.66430%0.301SS*.Hα-helixtrans-59.6-40.5174.2-174.2-178.7179.2113.26.7112A97 I98 I99 T105A97-R101 WeakPolarHBondContact O-CB 3.45Å; A97-R101 PolarHBondContact O-N 3.11Å; I98-R101 PolarHBondContact O-N 3.36Å; I99-R101 VanDerWaalsContact C-N 3.33Å; I99-R101 PolarHBondContact O-N 2.83Å; R101-T105 PolarHBondContact O-N 2.81Å; R101-T105 PolarHBondContact O-OG1 3.41Å; R101-T105 VanDerWaalsContact O-OG1 3.14Å
102E95.5Very high91.1Very high44 Ų4459.2 Ų59.221%0.20631%0.314CS..Hα-helixtrans-68.5-45.8176.3-169.570.2-170.500111.4F70 I98 I99 L100 Q104 T105 Y106F70-E102 HydrophobicContact CD1-CG 3.83Å; F70-E102 HydrophobicContact CE1-CB 4.26Å; F70-E102 HydrophobicContact CE1-CG 3.96Å; F70-E102 HydrophobicContact CG-CG 4.15Å; F70-E102 HydrophobicContact CZ-CG 4.41Å; I98-E102 PolarHBondContact O-N 3.48Å; I98-E102 VanDerWaalsContact O-N 3.12Å; I99-E102 WeakPolarHBondContact O-CB 3.15Å; I99-E102 PolarHBondContact O-N 2.84Å; I99-E102 VanDerWaalsContact O-N 3.09Å; L100-E102 VanDerWaalsContact C-N 3.28Å; L100-E102 PolarHBondContact O-N 2.84Å; E102-Q104 VanDerWaalsContact C-N 3.27Å; E102-Q104 PolarHBondContact O-N 2.92Å; E102-T105 VanDerWaalsContact O-CB 3.31Å; E102-T105 WeakPolarHBondContact O-CB 3.46Å; E102-T105 PolarHBondContact O-N 3.06Å; E102-Y106 HydrophobicContact CG-CE1 3.74Å; E102-Y106 HydrophobicContact CG-CE2 4.1Å; E102-Y106 WeakPolarHBondContact CG-OH 3.37Å; E102-Y106 WeakPolarHBondContact O-CD1 3.3Å; E102-Y106 PolarHBondContact O-N 3.12Å; E102-Y106 WeakPolarHBondContact OE1-CE1 3.46Å; E102-Y106 PolarHBondContact OE1-OH 3.15Å
103L95.6Very high90.8Very high0 Ų061 Ų610%033%0.327CS..Hα-helixtrans-61.2-34.7177.4-63.4-169.6000112.3L84 I99 L100 T105 Y106 I107 T118 A121 I122L84-L103 HydrophobicContact CD1-CD2 3.36Å; I99-L103 HydrophobicContact CG2-CD1 4.05Å; I99-L103 HydrophobicContact CG2-CG 4.03Å; I99-L103 WeakPolarHBondContact O-CG 3.1Å; I99-L103 PolarHBondContact O-N 2.88Å; L100-L103 PolarHBondContact O-N 2.94Å; L103-T105 VanDerWaalsContact C-N 3.31Å; L103-T105 PolarHBondContact O-N 3.32Å; L103-Y106 HydrophobicContact CD2-CD2 3.72Å; L103-Y106 HydrophobicContact CD2-CE2 3.73Å; L103-Y106 WeakPolarHBondContact O-CB 3.33Å; L103-Y106 PolarHBondContact O-N 3.37Å; L103-I107 PolarHBondContact O-N 2.76Å; L103-T118 HydrophobicContact CB-CG2 4.04Å; L103-T118 HydrophobicContact CD2-CG2 4.33Å; L103-T118 VanDerWaalsContact O-CG2 3.29Å; L103-T118 WeakPolarHBondContact O-CG2 3.47Å; L103-A121 HydrophobicContact CD1-CB 4.14Å; L103-I122 HydrophobicContact CB-CD1 4.25Å; L103-I122 HydrophobicContact CB-CG1 4.01Å; L103-I122 HydrophobicContact CD1-CG1 3.8Å
104Q91.1Very high90.6Very high41 Ų4157.4 Ų57.419%0.19230%0.304CS..Hα-helixtrans-59.9-42.2172.3-76.7170.1-2500111.6L100 E102 Y106 I107 F480L100-Q104 VanDerWaalsContact O-CG 3.28Å; L100-Q104 WeakPolarHBondContact O-CG 3.33Å; L100-Q104 PolarHBondContact O-N 3Å; E102-Q104 VanDerWaalsContact C-N 3.27Å; E102-Q104 PolarHBondContact O-N 2.92Å; Q104-Y106 VanDerWaalsContact C-N 3.26Å; Q104-Y106 PolarHBondContact O-N 3.38Å; Q104-I107 PolarHBondContact O-N 2.89Å; Q104-I107 VanDerWaalsContact O-N 3.14Å; Q104-F480 HydrophobicContact CG-CE1 3.81Å; Q104-F480 HydrophobicContact CG-CZ 4.04Å
105T91.3Very high90.6Very high84 Ų8453 Ų5352%0.51527%0.272SS..Hα-helixtrans-63.1-34.8178.3-530000111.5R101 E102 L103 I107 A108R101-T105 PolarHBondContact O-N 2.81Å; R101-T105 PolarHBondContact O-OG1 3.41Å; R101-T105 VanDerWaalsContact O-OG1 3.14Å; E102-T105 VanDerWaalsContact O-CB 3.31Å; E102-T105 WeakPolarHBondContact O-CB 3.46Å; E102-T105 PolarHBondContact O-N 3.06Å; L103-T105 VanDerWaalsContact C-N 3.31Å; L103-T105 PolarHBondContact O-N 3.32Å; T105-I107 VanDerWaalsContact C-N 3.26Å; T105-I107 PolarHBondContact O-N 3.14Å; T105-A108 PolarHBondContact O-N 3.09Å
106Y92.8Very high90.4Very high8 Ų852.9 Ų52.93%0.03127%0.274CS..Hα-helixtrans-67.7-24.7177.9-61-14000113.4F70 V71 L84 L87 E102 L103 Q104 A108 T109 F114 T118F70-Y106 WeakPolarHBondContact CA-OH 3.43Å; V71-Y106 HydrophobicContact CB-CD1 4.45Å; V71-Y106 HydrophobicContact CB-CE1 3.74Å; V71-Y106 HydrophobicContact CB-CE2 4.14Å; V71-Y106 HydrophobicContact CG2-CE1 4.36Å; V71-Y106 HydrophobicContact CG2-CE2 3.85Å; V71-Y106 PolarHBondContact N-OH 2.83Å; L84-Y106 HydrophobicContact CD1-CD2 4.44Å; L87-Y106 HydrophobicContact CD1-CE2 4.23Å; E102-Y106 HydrophobicContact CG-CE1 3.74Å; E102-Y106 HydrophobicContact CG-CE2 4.1Å; E102-Y106 WeakPolarHBondContact CG-OH 3.37Å; E102-Y106 WeakPolarHBondContact O-CD1 3.3Å; E102-Y106 PolarHBondContact O-N 3.12Å; E102-Y106 WeakPolarHBondContact OE1-CE1 3.46Å; E102-Y106 PolarHBondContact OE1-OH 3.15Å; L103-Y106 HydrophobicContact CD2-CD2 3.72Å; L103-Y106 HydrophobicContact CD2-CE2 3.73Å; L103-Y106 WeakPolarHBondContact O-CB 3.33Å; L103-Y106 PolarHBondContact O-N 3.37Å; Q104-Y106 VanDerWaalsContact C-N 3.26Å; Q104-Y106 PolarHBondContact O-N 3.38Å; Y106-A108 VanDerWaalsContact C-N 3.33Å; Y106-T109 WeakPolarHBondContact O-CB 3.37Å; Y106-T109 VanDerWaalsContact O-CG2 3.31Å; Y106-T109 WeakPolarHBondContact O-CG2 3.49Å; Y106-T109 PolarHBondContact O-N 3.19Å; Y106-T109 PolarHBondContact O-OG1 3.06Å; Y106-F114 HydrophobicContact CD2-CE1 4.26Å; Y106-F114 HydrophobicContact CD2-CZ 4.02Å; Y106-F114 HydrophobicContact CG-CE1 4.01Å; Y106-F114 HydrophobicContact CG-CZ 4.23Å; Y106-T118 HydrophobicContact CD2-CG2 4.29Å
107I87.7Confident90.2Very high18 Ų1856.6 Ų56.69%0.09229%0.291CS..Hα-helixtrans-75.8-25.7179-65.3174.4000111.8L103 Q104 T105 T109 T115 T118 I119 I122 F143L103-I107 PolarHBondContact O-N 2.76Å; Q104-I107 PolarHBondContact O-N 2.89Å; Q104-I107 VanDerWaalsContact O-N 3.14Å; T105-I107 VanDerWaalsContact C-N 3.26Å; T105-I107 PolarHBondContact O-N 3.14Å; I107-T109 PolarHBondContact O-N 3.48Å; I107-T115 HydrophobicContact CB-CG2 4.26Å; I107-T115 HydrophobicContact CG1-CG2 4.23Å; I107-T115 HydrophobicContact CG2-CG2 3.9Å; I107-T118 HydrophobicContact CD1-CG2 4.19Å; I107-T118 HydrophobicContact CG1-CG2 3.76Å; I107-I119 HydrophobicContact CD1-CG1 3.92Å; I107-I119 HydrophobicContact CG1-CG1 4.43Å; I107-I122 HydrophobicContact CD1-CD1 3.53Å; I107-F143 HydrophobicContact CB-CZ 4.34Å; I107-F143 HydrophobicContact CD1-CD2 4.32Å; I107-F143 HydrophobicContact CD1-CE1 4.26Å; I107-F143 HydrophobicContact CD1-CE2 3.32Å; I107-F143 HydrophobicContact CD1-CZ 3.26Å; I107-F143 HydrophobicContact CG1-CZ 4.35Å; I107-F143 HydrophobicContact CG2-CD1 4.4Å; I107-F143 HydrophobicContact CG2-CE1 3.78Å; I107-F143 HydrophobicContact CG2-CZ 3.86Å
108A81.9Confident90.3Very high68 Ų6854.6 Ų54.656%0.56227%0.274SS*.THydrogen-bonded Turntrans-73.6-2.9172.700000113.1T105 Y106T105-A108 PolarHBondContact O-N 3.09Å; Y106-A108 VanDerWaalsContact C-N 3.33Å
109T78.2Confident90.2Very high54 Ų5450.2 Ų50.233%0.33125%0.252SS..SBendtrans-77.4156.217970.40000112.1Y106 I107 D111Y106-T109 WeakPolarHBondContact O-CB 3.37Å; Y106-T109 VanDerWaalsContact O-CG2 3.31Å; Y106-T109 WeakPolarHBondContact O-CG2 3.49Å; Y106-T109 PolarHBondContact O-N 3.19Å; Y106-T109 PolarHBondContact O-OG1 3.06Å; I107-T109 PolarHBondContact O-N 3.48Å; T109-D111 VanDerWaalsContact C-N 3.27Å; T109-D111 PolarHBondContact O-N 3.42Å
110F73.1Confident90.1Very high198 Ų19852.1 Ų52.187%0.86826%0.262SS*.SBendtrans-73.8-14-178.8-65.5-76.2000114.5K112F110-K112 PolarHBondContact O-N 3.13Å
111D84.9Confident90.1Very high44 Ų4451.7 Ų51.724%0.23526%0.26CS..  trans-81.7105.8-175.6-174.7-19000110.6I77 T109 D113 F114 T115I77-D111 WeakPolarHBondContact CD1-OD2 3.32Å; T109-D111 VanDerWaalsContact C-N 3.27Å; T109-D111 PolarHBondContact O-N 3.42Å; D111-D113 PolarHBondContact OD1-N 3.44Å; D111-F114 HydrophobicContact CB-CB 3.9Å; D111-F114 VanDerWaalsContact CG-CB 3.44Å; D111-F114 PolarHBondContact OD1-N 2.87Å; D111-F114 VanDerWaalsContact OD1-N 3.1Å; D111-T115 VanDerWaalsContact O-CB 3.31Å; D111-T115 WeakPolarHBondContact O-CB 3.4Å; D111-T115 PolarHBondContact O-N 3.27Å; D111-T115 PolarHBondContact O-OG1 3.45Å
112K84.8Confident90.2Very high101 Ų10143.8 Ų43.844%0.43923%0.231SC..Hα-helixtrans-65.9-39.7-174.7-59.1-175.2176.4-179.60112.6F110 T115 A116 N148 L150F110-K112 PolarHBondContact O-N 3.13Å; K112-T115 PolarHBondContact O-N 3.06Å; K112-A116 PolarHBondContact O-N 3.34Å; K112-N148 WeakPolarHBondContact CD-ND2 3.29Å; K112-N148 VanDerWaalsContact CG-ND2 3.28Å; K112-N148 WeakPolarHBondContact CG-ND2 3.47Å; K112-L150 HydrophobicContact CB-CD1 4.32Å
113D87.3Confident90.2Very high105 Ų10541.7 Ų41.756%0.56122%0.221SC*.Hα-helixtrans-72.5-43.8-177.9-66.5-32.4000110.1D111 T115 A116 E117D111-D113 PolarHBondContact OD1-N 3.44Å; D113-T115 VanDerWaalsContact C-N 3.29Å; D113-T115 PolarHBondContact O-N 3.49Å; D113-A116 PolarHBondContact O-N 3.25Å; D113-E117 PolarHBondContact O-N 3.2Å; D113-E117 VanDerWaalsContact O-N 3.12Å
114F92.7Very high90.1Very high3 Ų342.3 Ų42.31%0.01322%0.223CC..Hα-helixtrans-63.4-36.3174.2-178.6-113.7000112.4V71 K80 L81 L84 Y106 D111 E117 T118V71-F114 HydrophobicContact CB-CZ 4.47Å; V71-F114 HydrophobicContact CG1-CE1 4.42Å; V71-F114 HydrophobicContact CG1-CZ 4.13Å; V71-F114 HydrophobicContact CG2-CZ 4.07Å; K80-F114 HydrophobicContact CB-CD2 3.83Å; K80-F114 HydrophobicContact CB-CE2 3.52Å; K80-F114 HydrophobicContact CB-CZ 4Å; K80-F114 HydrophobicContact CD-CD1 4.42Å; K80-F114 HydrophobicContact CD-CD2 4.49Å; K80-F114 HydrophobicContact CD-CE1 4.43Å; K80-F114 HydrophobicContact CD-CG 4.45Å; L81-F114 HydrophobicContact CD2-CD2 4.01Å; L84-F114 HydrophobicContact CB-CE2 4.25Å; L84-F114 HydrophobicContact CD2-CE2 3.96Å; Y106-F114 HydrophobicContact CD2-CE1 4.26Å; Y106-F114 HydrophobicContact CD2-CZ 4.02Å; Y106-F114 HydrophobicContact CG-CE1 4.01Å; Y106-F114 HydrophobicContact CG-CZ 4.23Å; D111-F114 HydrophobicContact CB-CB 3.9Å; D111-F114 VanDerWaalsContact CG-CB 3.44Å; D111-F114 PolarHBondContact OD1-N 2.87Å; D111-F114 VanDerWaalsContact OD1-N 3.1Å; F114-E117 PolarHBondContact O-N 3.31Å; F114-T118 WeakPolarHBondContact O-CB 3.31Å; F114-T118 PolarHBondContact O-N 3.01Å; F114-T118 PolarHBondContact O-OG1 2.9Å
115T92.9Very high90.3Very high6 Ų640.4 Ų40.44%0.03721%0.214CC..Hα-helixtrans-63-43.2174.6-61.20000111.5I107 D111 K112 D113 E117 T118 I119 V151I107-T115 HydrophobicContact CB-CG2 4.26Å; I107-T115 HydrophobicContact CG1-CG2 4.23Å; I107-T115 HydrophobicContact CG2-CG2 3.9Å; D111-T115 VanDerWaalsContact O-CB 3.31Å; D111-T115 WeakPolarHBondContact O-CB 3.4Å; D111-T115 PolarHBondContact O-N 3.27Å; D111-T115 PolarHBondContact O-OG1 3.45Å; K112-T115 PolarHBondContact O-N 3.06Å; D113-T115 VanDerWaalsContact C-N 3.29Å; D113-T115 PolarHBondContact O-N 3.49Å; T115-E117 PolarHBondContact O-N 3.21Å; T115-T118 WeakPolarHBondContact O-CB 3.49Å; T115-T118 PolarHBondContact O-N 3.14Å; T115-I119 HydrophobicContact CG2-CD1 4.11Å; T115-I119 WeakPolarHBondContact O-CG1 3.36Å; T115-I119 PolarHBondContact O-N 3.23Å; T115-V151 HydrophobicContact CG2-CG2 3.64Å
116A91.8Very high90.4Very high14 Ų1436.4 Ų36.412%0.11619%0.19CC..Hα-helixtrans-60.2-44.9176.100000111.7K112 D113 T118 I119 N120 Q154K112-A116 PolarHBondContact O-N 3.34Å; D113-A116 PolarHBondContact O-N 3.25Å; A116-T118 VanDerWaalsContact C-N 3.29Å; A116-T118 PolarHBondContact O-N 3.31Å; A116-I119 PolarHBondContact O-N 3.36Å; A116-N120 PolarHBondContact O-N 3.27Å; A116-Q154 HydrophobicContact CB-CB 4.16Å; A116-Q154 HydrophobicContact CB-CG 4.08Å; A116-Q154 WeakPolarHBondContact O-CG 3.44Å
117E93Very high90.3Very high82 Ų8236.7 Ų36.738%0.38319%0.193SC..Hα-helixtrans-64.9-34175.8-68-57.3147.500112.5L81 L84 D113 F114 T115 N120 A121L81-E117 HydrophobicContact CD2-CB 3.73Å; L81-E117 HydrophobicContact CD2-CG 3.69Å; L84-E117 HydrophobicContact CD2-CB 3.93Å; D113-E117 PolarHBondContact O-N 3.2Å; D113-E117 VanDerWaalsContact O-N 3.12Å; F114-E117 PolarHBondContact O-N 3.31Å; T115-E117 PolarHBondContact O-N 3.21Å; E117-N120 WeakPolarHBondContact O-CB 3.28Å; E117-N120 PolarHBondContact O-N 3.35Å; E117-A121 PolarHBondContact O-N 3.47Å
118T96.4Very high90.4Very high0 Ų041.2 Ų41.20%022%0.218CC..Hα-helixtrans-64.7-42.4174.3-590000111.6L103 Y106 I107 F114 T115 A116 N120 A121 I122L103-T118 HydrophobicContact CB-CG2 4.04Å; L103-T118 HydrophobicContact CD2-CG2 4.33Å; L103-T118 VanDerWaalsContact O-CG2 3.29Å; L103-T118 WeakPolarHBondContact O-CG2 3.47Å; Y106-T118 HydrophobicContact CD2-CG2 4.29Å; I107-T118 HydrophobicContact CD1-CG2 4.19Å; I107-T118 HydrophobicContact CG1-CG2 3.76Å; F114-T118 WeakPolarHBondContact O-CB 3.31Å; F114-T118 PolarHBondContact O-N 3.01Å; F114-T118 PolarHBondContact O-OG1 2.9Å; T115-T118 WeakPolarHBondContact O-CB 3.49Å; T115-T118 PolarHBondContact O-N 3.14Å; A116-T118 VanDerWaalsContact C-N 3.29Å; A116-T118 PolarHBondContact O-N 3.31Å; T118-N120 VanDerWaalsContact C-N 3.29Å; T118-N120 PolarHBondContact O-N 3.43Å; T118-A121 WeakPolarHBondContact O-CB 3.39Å; T118-A121 PolarHBondContact O-N 2.87Å; T118-A121 VanDerWaalsContact O-N 3.15Å; T118-I122 WeakPolarHBondContact O-CG1 3.34Å; T118-I122 PolarHBondContact O-N 3.27Å
119I95.7Very high90.9Very high0 Ų038.5 Ų38.50%019%0.193CC..Hα-helixtrans-62-39.9174.4-69163.7000110.7I107 T115 A116 A121 I122 G123 L140 F143 V151 Q154 V158I107-I119 HydrophobicContact CD1-CG1 3.92Å; I107-I119 HydrophobicContact CG1-CG1 4.43Å; T115-I119 HydrophobicContact CG2-CD1 4.11Å; T115-I119 WeakPolarHBondContact O-CG1 3.36Å; T115-I119 PolarHBondContact O-N 3.23Å; A116-I119 PolarHBondContact O-N 3.36Å; I119-A121 VanDerWaalsContact C-N 3.34Å; I119-A121 PolarHBondContact O-N 2.67Å; I119-I122 PolarHBondContact O-N 2.9Å; I119-G123 PolarHBondContact O-N 3.38Å; I119-L140 HydrophobicContact CG2-CD2 3.66Å; I119-F143 HydrophobicContact CG1-CD2 4.27Å; I119-F143 HydrophobicContact CG1-CE2 4.45Å; I119-V151 HydrophobicContact CD1-CB 4.22Å; I119-V151 HydrophobicContact CD1-CG1 3.68Å; I119-V151 HydrophobicContact CD1-CG2 4.23Å; I119-Q154 HydrophobicContact CB-CG 4.26Å; I119-Q154 HydrophobicContact CG2-CB 4.48Å; I119-Q154 HydrophobicContact CG2-CG 4.1Å; I119-V158 HydrophobicContact CG2-CG2 4.23Å
120N94.7Very high91.5Very high40 Ų4042.9 Ų42.921%0.21421%0.21CC..Hα-helixtrans-62.1-40.9174-165.624.2000112.1A116 E117 T118 G123 R124A116-N120 PolarHBondContact O-N 3.27Å; E117-N120 WeakPolarHBondContact O-CB 3.28Å; E117-N120 PolarHBondContact O-N 3.35Å; T118-N120 VanDerWaalsContact C-N 3.29Å; T118-N120 PolarHBondContact O-N 3.43Å; N120-G123 PolarHBondContact O-N 3.28Å; N120-R124 PolarHBondContact O-N 3.42Å
121A96.6Very high92.4Very high0 Ų040.6 Ų40.60%020%0.202CC..Hα-helixtrans-62.4-42.4174.500000112.9L84 T88 L103 E117 T118 I119 G123 R124 C125L84-A121 HydrophobicContact CD1-CB 3.65Å; L84-A121 HydrophobicContact CD2-CB 4.35Å; L84-A121 HydrophobicContact CG-CB 3.99Å; T88-A121 HydrophobicContact CG2-CB 4.41Å; T88-A121 VanDerWaalsContact OG1-CB 3.27Å; T88-A121 WeakPolarHBondContact OG1-CB 3.41Å; L103-A121 HydrophobicContact CD1-CB 4.14Å; E117-A121 PolarHBondContact O-N 3.47Å; T118-A121 WeakPolarHBondContact O-CB 3.39Å; T118-A121 PolarHBondContact O-N 2.87Å; T118-A121 VanDerWaalsContact O-N 3.15Å; I119-A121 VanDerWaalsContact C-N 3.34Å; I119-A121 PolarHBondContact O-N 2.67Å; A121-G123 VanDerWaalsContact C-N 3.29Å; A121-G123 PolarHBondContact O-N 2.98Å; A121-R124 PolarHBondContact O-N 2.93Å; A121-C125 PolarHBondContact O-N 3.46Å; A121-C125 PolarHBondContact O-SG 3.33Å
122I96.2Very high92.8Very high9 Ų939.1 Ų39.15%0.04620%0.195CC..Hα-helixtrans-59.4-44172.7-66.9174000110.3L100 L103 I107 T118 I119 R124 C125 A126 C136 F143L100-I122 HydrophobicContact CD2-CG1 4.42Å; L100-I122 HydrophobicContact CD2-CG2 4.47Å; L103-I122 HydrophobicContact CB-CD1 4.25Å; L103-I122 HydrophobicContact CB-CG1 4.01Å; L103-I122 HydrophobicContact CD1-CG1 3.8Å; I107-I122 HydrophobicContact CD1-CD1 3.53Å; T118-I122 WeakPolarHBondContact O-CG1 3.34Å; T118-I122 PolarHBondContact O-N 3.27Å; I119-I122 PolarHBondContact O-N 2.9Å; I122-R124 PolarHBondContact O-N 3.33Å; I122-C125 WeakPolarHBondContact O-CB 3.45Å; I122-C125 PolarHBondContact O-N 3.31Å; I122-A126 WeakPolarHBondContact O-CB 3.45Å; I122-A126 PolarHBondContact O-N 3.42Å; I122-C136 HydrophobicContact CG2-CB 4.07Å; I122-F143 HydrophobicContact CD1-CE2 4.4Å
123G94.9Very high93.2Very high0 Ų036.3 Ų36.30%018%0.181CC..Hα-helixtrans-55.3-48.1174.300000113.2I119 N120 A121 C125 A126 C127 M301I119-G123 PolarHBondContact O-N 3.38Å; N120-G123 PolarHBondContact O-N 3.28Å; A121-G123 VanDerWaalsContact C-N 3.29Å; A121-G123 PolarHBondContact O-N 2.98Å; G123-C125 PolarHBondContact O-N 2.79Å; G123-A126 PolarHBondContact O-N 2.83Å; G123-C127 PolarHBondContact O-N 3.4Å; G123-M301 VanDerWaalsContact C-CE 3.43Å
124R94.6Very high93.4Very high13 Ų1335.9 Ų35.95%0.04918%0.179CC..Hα-helixtrans-62.3-41.1176.7-73.4-174.6-68.4149.9-11.8112.5E85 T88 N120 A121 I122 A126 C127 N128 M301E85-R124 IonicContact OE1-NH1 3.79Å; E85-R124 PolarHBondContact OE1-NH1 3.44Å; E85-R124 IonicContact OE2-CZ 3.37Å; E85-R124 IonicContact OE2-NH1 2.65Å; E85-R124 PolarHBondContact OE2-NH1 2.91Å; E85-R124 IonicContact OE2-NH2 3.28Å; E85-R124 PolarHBondContact OE2-NH2 3.45Å; T88-R124 HydrophobicContact CG2-CB 3.72Å; T88-R124 PolarHBondContact OG1-NH2 2.79Å; N120-R124 PolarHBondContact O-N 3.42Å; A121-R124 PolarHBondContact O-N 2.93Å; I122-R124 PolarHBondContact O-N 3.33Å; R124-A126 VanDerWaalsContact C-N 3.34Å; R124-A126 PolarHBondContact O-N 3.29Å; R124-C127 PolarHBondContact O-N 3.15Å; R124-N128 PolarHBondContact O-N 2.91Å; R124-N128 VanDerWaalsContact O-N 3.17Å; R124-N128 PolarHBondContact O-ND2 3.28Å; R124-M301 HydrophobicContact CG-CB 4.22Å; R124-M301 HydrophobicContact CG-CE 4.44Å
125C95.3Very high93.3Very high1 Ų137.7 Ų37.71%0.00719%0.192CC..Hα-helixtrans-60.6-44.4174.7-66.30000111.6I96 L100 A121 I122 G123 C127 N128 I129I96-C125 HydrophobicContact CD1-CB 3.84Å; L100-C125 HydrophobicContact CD2-CB 4.34Å; A121-C125 PolarHBondContact O-N 3.46Å; A121-C125 PolarHBondContact O-SG 3.33Å; I122-C125 WeakPolarHBondContact O-CB 3.45Å; I122-C125 PolarHBondContact O-N 3.31Å; G123-C125 PolarHBondContact O-N 2.79Å; C125-C127 PolarHBondContact O-N 3.45Å; C125-N128 PolarHBondContact O-N 3.21Å; C125-I129 PolarHBondContact O-N 2.91Å
126A93.4Very high93.4Very high0 Ų037.8 Ų37.80%019%0.193CC..Hα-helixtrans-67.4-32.2179.100000113.5I122 G123 R124 R133 C136 L162I122-A126 WeakPolarHBondContact O-CB 3.45Å; I122-A126 PolarHBondContact O-N 3.42Å; G123-A126 PolarHBondContact O-N 2.83Å; R124-A126 VanDerWaalsContact C-N 3.34Å; R124-A126 PolarHBondContact O-N 3.29Å; A126-R133 HydrophobicContact CB-CG 4.4Å; A126-R133 WeakPolarHBondContact O-CG 3.44Å; A126-R133 PolarHBondContact O-NE 3.32Å; A126-C136 HydrophobicContact CB-CB 3.62Å; A126-L162 HydrophobicContact CB-CD1 4.01Å; A126-L162 HydrophobicContact CB-CD2 3.75Å
127C90.7Very high93.4Very high15 Ų1537.3 Ų37.310%0.10119%0.188CC..Hα-helixtrans-62.1-48.4170.9-78.40000110.9G123 R124 C125 R133 L162G123-C127 PolarHBondContact O-N 3.4Å; R124-C127 PolarHBondContact O-N 3.15Å; C125-C127 PolarHBondContact O-N 3.45Å; C127-R133 PolarHBondContact O-NH2 3.28Å; C127-L162 HydrophobicContact CB-CD2 4.35Å; C127-L162 WeakPolarHBondContact SG-CD2 3.26Å
128N89.7Confident93.4Very high113 Ų11339.7 Ų39.760%0.60420%0.197SC*.Hα-helixtrans-81.9-26.5-170.3-65.7-23.2000114R124 C125R124-N128 PolarHBondContact O-N 2.91Å; R124-N128 VanDerWaalsContact O-N 3.17Å; R124-N128 PolarHBondContact O-ND2 3.28Å; C125-N128 PolarHBondContact O-N 3.21Å
129I93.1Very high93.2Very high11 Ų1139.7 Ų39.76%0.05620%0.198CC..  trans-123.1104.2-174.9-55.5172.7000109.4A91 P93 I96 C125 E131 V132A91-I129 HydrophobicContact CB-CD1 4.43Å; P93-I129 HydrophobicContact CG-CG2 4.33Å; I96-I129 HydrophobicContact CB-CD1 3.81Å; I96-I129 HydrophobicContact CD1-CD1 3.85Å; I96-I129 HydrophobicContact CG1-CD1 3.74Å; I96-I129 HydrophobicContact CG2-CD1 4.43Å; C125-I129 PolarHBondContact O-N 2.91Å; I129-E131 VanDerWaalsContact C-N 3.35Å; I129-E131 HydrophobicContact CG2-CB 4.33Å; I129-E131 PolarHBondContact O-N 2.69Å; I129-V132 HydrophobicContact CB-CG2 3.94Å; I129-V132 HydrophobicContact CG2-CG2 3.93Å; I129-V132 WeakPolarHBondContact O-CG2 3.31Å; I129-V132 PolarHBondContact O-N 2.93Å
130E90.8Very high93.1Very high146 Ų14639.7 Ų39.768%0.68220%0.198SC*.G310 helixtrans-63.1-37.8-176.4-175.1171.2-169.300113V132 R133E130-V132 PolarHBondContact O-N 2.93Å; E130-V132 VanDerWaalsContact O-N 3.13Å; E130-R133 VanDerWaalsContact O-CB 3.28Å; E130-R133 WeakPolarHBondContact O-CB 3.49Å; E130-R133 PolarHBondContact O-N 3.44Å
131E91.7Very high93Very high149 Ų14939.4 Ų39.470%0.69620%0.197SC*.G310 helixtrans-58.4-28.9-176.5-61.9163.2170.200113.9P93 I129P93-E131 WeakPolarHBondContact CB-OE2 3.35Å; I129-E131 VanDerWaalsContact C-N 3.35Å; I129-E131 HydrophobicContact CG2-CB 4.33Å; I129-E131 PolarHBondContact O-N 2.69Å
132V93.5Very high92.8Very high13 Ų1341.5 Ų41.58%0.07921%0.212CC..G310 helixtrans-103.9-4.3-179.6-60.30000113.1I96 L100 I129 E130 D134 S135 C136I96-V132 HydrophobicContact CG1-CG1 3.96Å; I96-V132 HydrophobicContact CG1-CG2 3.97Å; I96-V132 HydrophobicContact CG2-CG1 3.85Å; L100-V132 HydrophobicContact CD1-CB 3.94Å; L100-V132 HydrophobicContact CD1-CG1 4.06Å; L100-V132 HydrophobicContact CD1-CG2 4.15Å; I129-V132 HydrophobicContact CB-CG2 3.94Å; I129-V132 HydrophobicContact CG2-CG2 3.93Å; I129-V132 WeakPolarHBondContact O-CG2 3.31Å; I129-V132 PolarHBondContact O-N 2.93Å; E130-V132 PolarHBondContact O-N 2.93Å; E130-V132 VanDerWaalsContact O-N 3.13Å; V132-D134 PolarHBondContact O-N 2.98Å; V132-S135 PolarHBondContact O-N 2.95Å; V132-C136 PolarHBondContact O-N 3.3Å; V132-C136 PolarHBondContact O-SG 2.99Å; V132-C136 VanDerWaalsContact O-SG 3.38Å
133R91.9Very high92.5Very high42 Ų4241.7 Ų41.716%0.15821%0.212CC..Hα-helixtrans-59.5-48.3-169.7-170.5178.7-59.8151.1-6.2112.5A126 C127 E130 S135 C136 L137 E166A126-R133 HydrophobicContact CB-CG 4.4Å; A126-R133 WeakPolarHBondContact O-CG 3.44Å; A126-R133 PolarHBondContact O-NE 3.32Å; C127-R133 PolarHBondContact O-NH2 3.28Å; E130-R133 VanDerWaalsContact O-CB 3.28Å; E130-R133 WeakPolarHBondContact O-CB 3.49Å; E130-R133 PolarHBondContact O-N 3.44Å; R133-S135 VanDerWaalsContact C-N 3.34Å; R133-S135 PolarHBondContact O-N 3.49Å; R133-C136 PolarHBondContact O-N 3.48Å; R133-L137 PolarHBondContact O-N 3Å; R133-E166 VanDerWaalsContact CD-CD 3.44Å; R133-E166 WeakPolarHBondContact CD-OE1 3.31Å; R133-E166 WeakPolarHBondContact CG-OE1 3.43Å
134D91Very high92.2Very high97 Ų9742 Ų4252%0.51921%0.214SC..Hα-helixtrans-62-41178.2-73.4-31.1000112.4V132 L137 K138V132-D134 PolarHBondContact O-N 2.98Å; D134-L137 PolarHBondContact O-N 3.1Å; D134-K138 WeakPolarHBondContact O-CG 3.26Å; D134-K138 PolarHBondContact O-N 3.2Å
135S91.8Very high91.9Very high40 Ų4046.3 Ų46.328%0.2825%0.246SC..Hα-helixtrans-65.6-42.7177.7-59.70000111.2V132 R133 K138 G139V132-S135 PolarHBondContact O-N 2.95Å; R133-S135 VanDerWaalsContact C-N 3.34Å; R133-S135 PolarHBondContact O-N 3.49Å; S135-K138 PolarHBondContact O-N 2.81Å; S135-G139 PolarHBondContact O-N 3.14Å
136C94.4Very high91.5Very high9 Ų948.9 Ų48.96%0.06126%0.26CS..Hα-helixtrans-63.9-42.5174.4-70.90000111.7I122 A126 V132 R133 K138 G139 L140I122-C136 HydrophobicContact CG2-CB 4.07Å; A126-C136 HydrophobicContact CB-CB 3.62Å; V132-C136 PolarHBondContact O-N 3.3Å; V132-C136 PolarHBondContact O-SG 2.99Å; V132-C136 VanDerWaalsContact O-SG 3.38Å; R133-C136 PolarHBondContact O-N 3.48Å; C136-K138 PolarHBondContact O-N 3.33Å; C136-G139 PolarHBondContact O-N 3.38Å; C136-L140 WeakPolarHBondContact O-CB 3.37Å; C136-L140 WeakPolarHBondContact O-CG 3.23Å; C136-L140 PolarHBondContact O-N 3.18Å
137L93.2Very high91.1Very high3 Ų354.6 Ų54.62%0.01630%0.297CS..Hα-helixtrans-59.6-45.2175.9-81.9175000111.8R133 D134 G139 L140 V141 I159 L162 E166 I173R133-L137 PolarHBondContact O-N 3Å; D134-L137 PolarHBondContact O-N 3.1Å; L137-G139 PolarHBondContact O-N 3.16Å; L137-L140 PolarHBondContact O-N 3.36Å; L137-V141 VanDerWaalsContact O-CG2 3.26Å; L137-V141 WeakPolarHBondContact O-CG2 3.47Å; L137-V141 PolarHBondContact O-N 3.2Å; L137-I159 HydrophobicContact CD2-CG1 4.48Å; L137-L162 HydrophobicContact CD2-CB 4Å; L137-L162 HydrophobicContact CD2-CD1 3.78Å; L137-L162 HydrophobicContact CG-CD1 4.34Å; L137-E166 VanDerWaalsContact CD1-OE1 3.29Å; L137-E166 WeakPolarHBondContact CD1-OE1 3.11Å; L137-I173 HydrophobicContact CB-CD1 4.18Å; L137-I173 HydrophobicContact CD1-CD1 4.23Å; L137-I173 HydrophobicContact CD2-CD1 4.28Å; L137-I173 HydrophobicContact CG-CD1 4.49Å
138K91.7Very high90.9Very high132 Ų13255.1 Ų55.157%0.57430%0.299SS*.Hα-helixtrans-59.3-45.4174.9-71.7172.1-175.6174.50111.8D134 S135 C136 V141 S142 I477D134-K138 WeakPolarHBondContact O-CG 3.26Å; D134-K138 PolarHBondContact O-N 3.2Å; S135-K138 PolarHBondContact O-N 2.81Å; C136-K138 PolarHBondContact O-N 3.33Å; K138-V141 PolarHBondContact O-N 2.7Å; K138-S142 PolarHBondContact O-N 3.25Å; K138-S142 VanDerWaalsContact O-N 3.13Å; K138-I477 HydrophobicContact CD-CD1 4.29Å
139G91.6Very high90.8Very high1 Ų153.2 Ų53.21%0.0129%0.289CS..Hα-helixtrans-60.6-46.6175.300000112.7S135 C136 L137 V141 S142 F143S135-G139 PolarHBondContact O-N 3.14Å; C136-G139 PolarHBondContact O-N 3.38Å; L137-G139 PolarHBondContact O-N 3.16Å; G139-V141 VanDerWaalsContact C-N 3.29Å; G139-V141 PolarHBondContact O-N 3.41Å; G139-S142 WeakPolarHBondContact O-CB 3.39Å; G139-S142 PolarHBondContact O-N 2.68Å; G139-S142 PolarHBondContact O-OG 3.13Å; G139-F143 PolarHBondContact O-N 3.43Å; G139-F143 VanDerWaalsContact O-N 3.16Å
140L94.4Very high90.5Very high0 Ų056 Ų560%030%0.303CS..Hα-helixtrans-61.8-36.2177.3-69.9166.9000112.4I119 C136 L137 S142 F143 M144 V158 I159 L162I119-L140 HydrophobicContact CG2-CD2 3.66Å; C136-L140 WeakPolarHBondContact O-CB 3.37Å; C136-L140 WeakPolarHBondContact O-CG 3.23Å; C136-L140 PolarHBondContact O-N 3.18Å; L137-L140 PolarHBondContact O-N 3.36Å; L140-S142 VanDerWaalsContact C-N 3.33Å; L140-F143 HydrophobicContact CD2-CD2 4.31Å; L140-F143 PolarHBondContact O-N 3.31Å; L140-M144 PolarHBondContact O-N 2.99Å; L140-V158 HydrophobicContact CD1-CG1 3.72Å; L140-V158 HydrophobicContact CD2-CG1 4.17Å; L140-I159 HydrophobicContact CB-CD1 3.9Å; L140-I159 HydrophobicContact CB-CG1 3.74Å; L140-I159 HydrophobicContact CD1-CG1 4.23Å; L140-L162 HydrophobicContact CD1-CD1 3.55Å
141V93.5Very high90.5Very high33 Ų3349.2 Ų49.220%0.227%0.272CS..Hα-helixtrans-64.4-39.3174.5169.80000111.1L137 K138 G139 F143 M144 I159 I173 T176L137-V141 VanDerWaalsContact O-CG2 3.26Å; L137-V141 WeakPolarHBondContact O-CG2 3.47Å; L137-V141 PolarHBondContact O-N 3.2Å; K138-V141 PolarHBondContact O-N 2.7Å; G139-V141 VanDerWaalsContact C-N 3.29Å; G139-V141 PolarHBondContact O-N 3.41Å; V141-F143 VanDerWaalsContact C-N 3.3Å; V141-F143 PolarHBondContact O-N 3.2Å; V141-M144 HydrophobicContact CB-CE 4.16Å; V141-M144 HydrophobicContact CG1-CE 3.89Å; V141-M144 HydrophobicContact CG2-CE 4.1Å; V141-M144 WeakPolarHBondContact O-CB 3.35Å; V141-M144 PolarHBondContact O-N 3.43Å; V141-I159 HydrophobicContact CG2-CD1 4.15Å; V141-I173 HydrophobicContact CG2-CD1 4.26Å; V141-I173 HydrophobicContact CG2-CG1 4.05Å; V141-I173 HydrophobicContact CG2-CG2 3.99Å; V141-T176 HydrophobicContact CG1-CG2 4.3Å
142S91Very high90.5Very high44 Ų4442.6 Ų42.631%0.30824%0.241SC..Hα-helixtrans-61.9-37.3175.281.30000112.3K138 G139 L140 M144 S145K138-S142 PolarHBondContact O-N 3.25Å; K138-S142 VanDerWaalsContact O-N 3.13Å; G139-S142 WeakPolarHBondContact O-CB 3.39Å; G139-S142 PolarHBondContact O-N 2.68Å; G139-S142 PolarHBondContact O-OG 3.13Å; L140-S142 VanDerWaalsContact C-N 3.33Å; S142-M144 PolarHBondContact O-N 3.25Å; S142-S145 PolarHBondContact O-N 3.28Å; S142-S145 VanDerWaalsContact O-N 3.1Å
143F90.6Very high90.4Very high14 Ų1442.3 Ų42.36%0.06124%0.24CC..Hα-helixtrans-67.3-18.4177.8-63.2-31.6000114.6I107 I119 I122 G139 L140 V141 S145 N146 V151 S155 F480I107-F143 HydrophobicContact CB-CZ 4.34Å; I107-F143 HydrophobicContact CD1-CD2 4.32Å; I107-F143 HydrophobicContact CD1-CE1 4.26Å; I107-F143 HydrophobicContact CD1-CE2 3.32Å; I107-F143 HydrophobicContact CD1-CZ 3.26Å; I107-F143 HydrophobicContact CG1-CZ 4.35Å; I107-F143 HydrophobicContact CG2-CD1 4.4Å; I107-F143 HydrophobicContact CG2-CE1 3.78Å; I107-F143 HydrophobicContact CG2-CZ 3.86Å; I119-F143 HydrophobicContact CG1-CD2 4.27Å; I119-F143 HydrophobicContact CG1-CE2 4.45Å; I122-F143 HydrophobicContact CD1-CE2 4.4Å; G139-F143 PolarHBondContact O-N 3.43Å; G139-F143 VanDerWaalsContact O-N 3.16Å; L140-F143 HydrophobicContact CD2-CD2 4.31Å; L140-F143 PolarHBondContact O-N 3.31Å; V141-F143 VanDerWaalsContact C-N 3.3Å; V141-F143 PolarHBondContact O-N 3.2Å; F143-S145 PolarHBondContact O-N 3.23Å; F143-N146 WeakPolarHBondContact O-CB 3.38Å; F143-N146 PolarHBondContact O-N 2.76Å; F143-N146 VanDerWaalsContact O-N 3.09Å; F143-V151 HydrophobicContact CB-CG1 4.23Å; F143-S155 WeakPolarHBondContact CB-OG 3.31Å; F143-F480 HydrophobicContact CD1-CD1 4.42Å; F143-F480 AromaticContact CE1-CD1 3.43Å; F143-F480 HydrophobicContact CE1-CD1 3.43Å; F143-F480 VanDerWaalsContact CE1-CD1 3.43Å; F143-F480 AromaticContact CE1-CE1 3.8Å; F143-F480 HydrophobicContact CE1-CE1 3.8Å; F143-F480 HydrophobicContact CE1-CG 4.47Å; F143-F480 HydrophobicContact CE2-CD1 4.49Å; F143-F480 HydrophobicContact CE2-CE1 4.06Å; F143-F480 AromaticContact CZ-CD1 3.48Å; F143-F480 HydrophobicContact CZ-CD1 3.48Å; F143-F480 VanDerWaalsContact CZ-CD1 3.48Å; F143-F480 AromaticContact CZ-CE1 3.3Å; F143-F480 HydrophobicContact CZ-CE1 3.3Å; F143-F480 HydrophobicContact CZ-CZ 4.46Å
144M88.6Confident90.5Very high5 Ų542.1 Ų42.13%0.02524%0.241CC..THydrogen-bonded Turntrans-68.8-12.8173.4-58.5-166-66.800113.4L140 V141 S142 V156 I159 T176 M177 L180L140-M144 PolarHBondContact O-N 2.99Å; V141-M144 HydrophobicContact CB-CE 4.16Å; V141-M144 HydrophobicContact CG1-CE 3.89Å; V141-M144 HydrophobicContact CG2-CE 4.1Å; V141-M144 WeakPolarHBondContact O-CB 3.35Å; V141-M144 PolarHBondContact O-N 3.43Å; S142-M144 PolarHBondContact O-N 3.25Å; M144-V156 HydrophobicContact CG-CG2 4.42Å; M144-V156 HydrophobicContact SD-CG2 3.95Å; M144-I159 HydrophobicContact CE-CD1 4.26Å; M144-I159 HydrophobicContact CG-CD1 4.16Å; M144-I159 HydrophobicContact SD-CD1 3.78Å; M144-T176 HydrophobicContact CE-CG2 3.67Å; M144-M177 HydrophobicContact CE-CG 3.97Å; M144-M177 HydrophobicContact SD-CE 4.03Å; M144-M177 HydrophobicContact SD-CG 3.79Å; M144-L180 HydrophobicContact CB-CD1 3.53Å; M144-L180 HydrophobicContact CE-CD1 3.85Å; M144-L180 HydrophobicContact CG-CD1 4.17Å; M144-L180 HydrophobicContact SD-CD1 3.63Å
145S87.1Confident90.6Very high105 Ų10537.5 Ų37.573%0.73422%0.216SC*.THydrogen-bonded Turntrans-94.94.5173.5-55.20000113S142 F143S142-S145 PolarHBondContact O-N 3.28Å; S142-S145 VanDerWaalsContact O-N 3.1Å; F143-S145 PolarHBondContact O-N 3.23Å
146N88Confident90.8Very high55 Ų5535.6 Ų35.629%0.29420%0.203SC..SBendtrans-67.7142.8178.3-167.6-72.7000110.7F143 N148 V151 V152F143-N146 WeakPolarHBondContact O-CB 3.38Å; F143-N146 PolarHBondContact O-N 2.76Å; F143-N146 VanDerWaalsContact O-N 3.09Å; N146-N148 PolarHBondContact O-N 2.99Å; N146-N148 VanDerWaalsContact OD1-CB 3.3Å; N146-N148 WeakPolarHBondContact OD1-CB 3.26Å; N146-N148 PolarHBondContact OD1-N 2.9Å; N146-V151 HydrophobicContact CB-CB 4.39Å; N146-V151 HydrophobicContact CB-CG1 3.73Å; N146-V152 HydrophobicContact CB-CG2 4.49Å; N146-V152 VanDerWaalsContact O-CG2 3.28Å; N146-V152 WeakPolarHBondContact O-CG2 3.31Å
147P85.3Confident90.7Very high119 Ų11937 Ų3777%0.77321%0.21SC*.SBendtrans-64.4-16.6178.126.1-36.9000114.2
148N85.5Confident90.8Very high26 Ų2636.9 Ų36.914%0.13921%0.209CC..  trans-90114.4-178.1-177.27.4000112.4K112 N146 L150 V151 V152K112-N148 WeakPolarHBondContact CD-ND2 3.29Å; K112-N148 VanDerWaalsContact CG-ND2 3.28Å; K112-N148 WeakPolarHBondContact CG-ND2 3.47Å; N146-N148 PolarHBondContact O-N 2.99Å; N146-N148 VanDerWaalsContact OD1-CB 3.3Å; N146-N148 WeakPolarHBondContact OD1-CB 3.26Å; N146-N148 PolarHBondContact OD1-N 2.9Å; N148-L150 PolarHBondContact O-N 2.8Å; N148-L150 VanDerWaalsContact O-N 3.17Å; N148-L150 PolarHBondContact OD1-N 2.74Å; N148-L150 VanDerWaalsContact OD1-N 3.16Å; N148-V151 HydrophobicContact CB-CB 4.16Å; N148-V151 HydrophobicContact CB-CG2 4.09Å; N148-V151 WeakPolarHBondContact O-CB 3.15Å; N148-V151 PolarHBondContact O-N 2.86Å; N148-V152 PolarHBondContact O-N 3.43Å; N148-V152 VanDerWaalsContact O-N 3.08Å
149D87.7Confident90.9Very high74 Ų7430.6 Ų30.640%0.39618%0.182SC..Hα-helixtrans-54.5-34.8178.2-73.2-20.5000114.1V152 A153 V186D149-V152 PolarHBondContact O-N 3.26Å; D149-A153 WeakPolarHBondContact O-CB 3.35Å; D149-A153 PolarHBondContact O-N 2.66Å; D149-V186 HydrophobicContact CB-CG2 4.09Å
150L87.4Confident91Very high70 Ų7032.5 Ų32.537%0.36619%0.19SC..Hα-helixtrans-67.8-39.9178.5-66.1179.1000111.7K112 N148 A153 Q154K112-L150 HydrophobicContact CB-CD1 4.32Å; N148-L150 PolarHBondContact O-N 2.8Å; N148-L150 VanDerWaalsContact O-N 3.17Å; N148-L150 PolarHBondContact OD1-N 2.74Å; N148-L150 VanDerWaalsContact OD1-N 3.16Å; L150-A153 PolarHBondContact O-N 3.06Å; L150-Q154 WeakPolarHBondContact O-CB 3.37Å; L150-Q154 PolarHBondContact O-N 2.97Å
151V90.3Very high90.8Very high3 Ų333.7 Ų33.72%0.01820%0.196CC..Hα-helixtrans-65.9-45.4176.8164.70000110.3T115 I119 F143 N146 N148 A153 Q154 S155T115-V151 HydrophobicContact CG2-CG2 3.64Å; I119-V151 HydrophobicContact CD1-CB 4.22Å; I119-V151 HydrophobicContact CD1-CG1 3.68Å; I119-V151 HydrophobicContact CD1-CG2 4.23Å; F143-V151 HydrophobicContact CB-CG1 4.23Å; N146-V151 HydrophobicContact CB-CB 4.39Å; N146-V151 HydrophobicContact CB-CG1 3.73Å; N148-V151 HydrophobicContact CB-CB 4.16Å; N148-V151 HydrophobicContact CB-CG2 4.09Å; N148-V151 WeakPolarHBondContact O-CB 3.15Å; N148-V151 PolarHBondContact O-N 2.86Å; V151-A153 VanDerWaalsContact C-N 3.34Å; V151-A153 PolarHBondContact O-N 2.89Å; V151-Q154 PolarHBondContact O-N 2.98Å; V151-S155 VanDerWaalsContact O-CB 3.31Å; V151-S155 WeakPolarHBondContact O-CB 3.5Å; V151-S155 PolarHBondContact O-N 2.81Å; V151-S155 PolarHBondContact O-OG 3.26Å
152V91.2Very high90.8Very high10 Ų1032.1 Ų32.16%0.06119%0.186CC..Hα-helixtrans-61.1-46.1175.9178.50000110.2N146 N148 D149 Q154 S155 V156 V184N146-V152 HydrophobicContact CB-CG2 4.49Å; N146-V152 VanDerWaalsContact O-CG2 3.28Å; N146-V152 WeakPolarHBondContact O-CG2 3.31Å; N148-V152 PolarHBondContact O-N 3.43Å; N148-V152 VanDerWaalsContact O-N 3.08Å; D149-V152 PolarHBondContact O-N 3.26Å; V152-Q154 PolarHBondContact O-N 2.78Å; V152-S155 PolarHBondContact O-N 3.43Å; V152-V156 HydrophobicContact CG1-CG2 4.44Å; V152-V156 WeakPolarHBondContact O-CB 3.23Å; V152-V156 VanDerWaalsContact O-CG2 3.27Å; V152-V156 WeakPolarHBondContact O-CG2 3.38Å; V152-V156 PolarHBondContact O-N 3.41Å; V152-V184 HydrophobicContact CG1-CG2 3.79Å
153A91.7Very high90.7Very high6 Ų630.1 Ų30.15%0.0517%0.172CC..Hα-helixtrans-61.1-47.4-179.700000112.4D149 L150 V151 V156 I157 V186 A189D149-A153 WeakPolarHBondContact O-CB 3.35Å; D149-A153 PolarHBondContact O-N 2.66Å; L150-A153 PolarHBondContact O-N 3.06Å; V151-A153 VanDerWaalsContact C-N 3.34Å; V151-A153 PolarHBondContact O-N 2.89Å; A153-V156 PolarHBondContact O-N 3Å; A153-I157 VanDerWaalsContact O-CG1 3.29Å; A153-I157 WeakPolarHBondContact O-CG1 3.31Å; A153-I157 PolarHBondContact O-N 3.14Å; A153-V186 HydrophobicContact CB-CB 3.72Å; A153-V186 HydrophobicContact CB-CG1 3.74Å; A153-V186 HydrophobicContact CB-CG2 3.81Å; A153-A189 HydrophobicContact CB-CB 3.73Å
154Q93.6Very high90.7Very high38 Ų3830.7 Ų30.718%0.17818%0.175CC..Hα-helixtrans-66.4-40.4179.5-16860.817.900111.7A116 I119 L150 V151 V152 V156 I157 V158A116-Q154 HydrophobicContact CB-CB 4.16Å; A116-Q154 HydrophobicContact CB-CG 4.08Å; A116-Q154 WeakPolarHBondContact O-CG 3.44Å; I119-Q154 HydrophobicContact CB-CG 4.26Å; I119-Q154 HydrophobicContact CG2-CB 4.48Å; I119-Q154 HydrophobicContact CG2-CG 4.1Å; L150-Q154 WeakPolarHBondContact O-CB 3.37Å; L150-Q154 PolarHBondContact O-N 2.97Å; V151-Q154 PolarHBondContact O-N 2.98Å; V152-Q154 PolarHBondContact O-N 2.78Å; Q154-V156 VanDerWaalsContact C-N 3.34Å; Q154-V156 PolarHBondContact O-N 3.26Å; Q154-I157 PolarHBondContact O-N 2.92Å; Q154-V158 WeakPolarHBondContact O-CB 3Å; Q154-V158 VanDerWaalsContact O-CG2 3.31Å; Q154-V158 WeakPolarHBondContact O-CG2 3.25Å; Q154-V158 PolarHBondContact O-N 3.48Å
155S94.6Very high90.4Very high0 Ų034.4 Ų34.40%019%0.192CC..Hα-helixtrans-60.1-44.1175.2-57.30000111.5F143 V151 V152 I157 V158 I159F143-S155 WeakPolarHBondContact CB-OG 3.31Å; V151-S155 VanDerWaalsContact O-CB 3.31Å; V151-S155 WeakPolarHBondContact O-CB 3.5Å; V151-S155 PolarHBondContact O-N 2.81Å; V151-S155 PolarHBondContact O-OG 3.26Å; V152-S155 PolarHBondContact O-N 3.43Å; S155-I157 PolarHBondContact O-N 2.92Å; S155-V158 PolarHBondContact O-N 3.03Å; S155-I159 WeakPolarHBondContact O-CB 3.38Å; S155-I159 VanDerWaalsContact O-CG1 3.23Å; S155-I159 WeakPolarHBondContact O-CG1 3.33Å; S155-I159 PolarHBondContact O-N 3.33Å
156V95Very high89.9Confident0 Ų030.4 Ų30.40%016%0.162CC..Hα-helixtrans-60.6-44.4176.4163.20000111.8M144 V152 A153 Q154 K160 M177 A189 I193M144-V156 HydrophobicContact CG-CG2 4.42Å; M144-V156 HydrophobicContact SD-CG2 3.95Å; V152-V156 HydrophobicContact CG1-CG2 4.44Å; V152-V156 WeakPolarHBondContact O-CB 3.23Å; V152-V156 VanDerWaalsContact O-CG2 3.27Å; V152-V156 WeakPolarHBondContact O-CG2 3.38Å; V152-V156 PolarHBondContact O-N 3.41Å; A153-V156 PolarHBondContact O-N 3Å; Q154-V156 VanDerWaalsContact C-N 3.34Å; Q154-V156 PolarHBondContact O-N 3.26Å; V156-K160 WeakPolarHBondContact O-CB 3.44Å; V156-K160 PolarHBondContact O-N 3.19Å; V156-M177 HydrophobicContact CB-CE 3.92Å; V156-M177 HydrophobicContact CG1-CE 3.83Å; V156-M177 HydrophobicContact CG2-CE 3.92Å; V156-M177 WeakPolarHBondContact O-CE 3.33Å; V156-A189 HydrophobicContact CB-CB 4.25Å; V156-A189 HydrophobicContact CG1-CB 4.06Å; V156-I193 HydrophobicContact CG1-CD1 4.36Å; V156-I193 HydrophobicContact CG1-CG1 3.79Å; V156-I193 HydrophobicContact CG2-CD1 4.44Å
157I93.7Very high89Confident39 Ų3936.3 Ų36.320%0.219%0.193CC..Hα-helixtrans-65.2-44.4179.2-67.8164.4000110.5A153 Q154 S155 K160 N161A153-I157 VanDerWaalsContact O-CG1 3.29Å; A153-I157 WeakPolarHBondContact O-CG1 3.31Å; A153-I157 PolarHBondContact O-N 3.14Å; Q154-I157 PolarHBondContact O-N 2.92Å; S155-I157 PolarHBondContact O-N 2.92Å; I157-K160 WeakPolarHBondContact O-CB 3.32Å; I157-K160 PolarHBondContact O-N 2.94Å; I157-N161 VanDerWaalsContact O-CG 3.29Å; I157-N161 PolarHBondContact O-N 2.95Å; I157-N161 PolarHBondContact O-OD1 3.05Å
158V94.4Very high88.4Confident0 Ų034.5 Ų34.50%018%0.18CC..Hα-helixtrans-65-45.6179.1171.30000111.4I119 L140 Q154 S155 K160 N161 L162 M301I119-V158 HydrophobicContact CG2-CG2 4.23Å; L140-V158 HydrophobicContact CD1-CG1 3.72Å; L140-V158 HydrophobicContact CD2-CG1 4.17Å; Q154-V158 WeakPolarHBondContact O-CB 3Å; Q154-V158 VanDerWaalsContact O-CG2 3.31Å; Q154-V158 WeakPolarHBondContact O-CG2 3.25Å; Q154-V158 PolarHBondContact O-N 3.48Å; S155-V158 PolarHBondContact O-N 3.03Å; V158-K160 VanDerWaalsContact C-N 3.32Å; V158-K160 PolarHBondContact O-N 3.22Å; V158-N161 PolarHBondContact O-N 3.22Å; V158-N161 VanDerWaalsContact O-N 3.11Å; V158-L162 HydrophobicContact CG1-CD1 4.05Å; V158-L162 HydrophobicContact CG1-CG 4.5Å; V158-L162 PolarHBondContact O-N 3.22Å; V158-M301 HydrophobicContact CG1-CE 4.4Å
159I94.5Very high88Confident0 Ų039.8 Ų39.80%020%0.203CC..Hα-helixtrans-58.5-46.2175.3-69.8164.9000110.1L137 L140 V141 M144 S155 N161 L162 L163 I173 M177L137-I159 HydrophobicContact CD2-CG1 4.48Å; L140-I159 HydrophobicContact CB-CD1 3.9Å; L140-I159 HydrophobicContact CB-CG1 3.74Å; L140-I159 HydrophobicContact CD1-CG1 4.23Å; V141-I159 HydrophobicContact CG2-CD1 4.15Å; M144-I159 HydrophobicContact CE-CD1 4.26Å; M144-I159 HydrophobicContact CG-CD1 4.16Å; M144-I159 HydrophobicContact SD-CD1 3.78Å; S155-I159 WeakPolarHBondContact O-CB 3.38Å; S155-I159 VanDerWaalsContact O-CG1 3.23Å; S155-I159 WeakPolarHBondContact O-CG1 3.33Å; S155-I159 PolarHBondContact O-N 3.33Å; I159-N161 PolarHBondContact O-N 3.29Å; I159-L162 PolarHBondContact O-N 2.89Å; I159-L162 VanDerWaalsContact O-N 3.17Å; I159-L163 HydrophobicContact CG2-CD1 3.9Å; I159-L163 HydrophobicContact CG2-CG 4.02Å; I159-L163 WeakPolarHBondContact O-CG 3.35Å; I159-L163 PolarHBondContact O-N 2.99Å; I159-I173 HydrophobicContact CG2-CG2 3.63Å; I159-M177 HydrophobicContact CB-CE 3.64Å; I159-M177 HydrophobicContact CB-SD 4.39Å; I159-M177 HydrophobicContact CD1-CE 4.04Å; I159-M177 HydrophobicContact CG1-CE 4.45Å; I159-M177 HydrophobicContact CG2-CE 3.56Å; I159-M177 HydrophobicContact CG2-SD 3.63Å
160K92.6Very high87.8Confident41 Ų4137.6 Ų37.618%0.17819%0.191CC..Hα-helixtrans-55.5-40.6176.3170.5-174.9164-150.80112.3V156 I157 V158 Q164 W195 L196V156-K160 WeakPolarHBondContact O-CB 3.44Å; V156-K160 PolarHBondContact O-N 3.19Å; I157-K160 WeakPolarHBondContact O-CB 3.32Å; I157-K160 PolarHBondContact O-N 2.94Å; V158-K160 VanDerWaalsContact C-N 3.32Å; V158-K160 PolarHBondContact O-N 3.22Å; K160-Q164 WeakPolarHBondContact O-CG 3.43Å; K160-Q164 PolarHBondContact O-N 3.16Å; K160-Q164 PolarHBondContact O-NE2 3.17Å; K160-W195 HydrophobicContact CD-CE3 4.17Å; K160-W195 HydrophobicContact CG-CE3 4.1Å; K160-W195 HydrophobicContact CG-CZ3 4.35Å; K160-L196 HydrophobicContact CB-CD1 3.78Å; K160-L196 HydrophobicContact CB-CD2 4.26Å; K160-L196 HydrophobicContact CB-CG 4.03Å; K160-L196 HydrophobicContact CG-CD1 4.31Å; K160-L196 HydrophobicContact CG-CD2 4.1Å; K160-L196 HydrophobicContact CG-CG 4Å
161N91.2Very high88.1Confident25 Ų2540.4 Ų40.413%0.13420%0.196CC..Hα-helixtrans-70.1-42.5179.6-66.8-13.1000111I157 V158 I159 Q164 H165 P299 M301I157-N161 VanDerWaalsContact O-CG 3.29Å; I157-N161 PolarHBondContact O-N 2.95Å; I157-N161 PolarHBondContact O-OD1 3.05Å; V158-N161 PolarHBondContact O-N 3.22Å; V158-N161 VanDerWaalsContact O-N 3.11Å; I159-N161 PolarHBondContact O-N 3.29Å; N161-Q164 PolarHBondContact O-N 2.89Å; N161-H165 PolarHBondContact O-CD2 3.28Å; N161-P299 HydrophobicContact CB-CB 4.42Å; N161-M301 HydrophobicContact CB-CE 4.35Å; N161-M301 HydrophobicContact CB-CG 4.29Å; N161-M301 HydrophobicContact CB-SD 3.9Å; N161-M301 PolarHBondContact ND2-SD 3.11Å; N161-M301 VanDerWaalsContact ND2-SD 3.44Å
162L91.7Very high88.2Confident0 Ų046.2 Ų46.20%023%0.227CC..Hα-helixtrans-63.2-45.7177.3-73.2170.3000112.6A126 C127 L137 L140 V158 I159 Q164 H165 E166A126-L162 HydrophobicContact CB-CD1 4.01Å; A126-L162 HydrophobicContact CB-CD2 3.75Å; C127-L162 HydrophobicContact CB-CD2 4.35Å; C127-L162 WeakPolarHBondContact SG-CD2 3.26Å; L137-L162 HydrophobicContact CD2-CB 4Å; L137-L162 HydrophobicContact CD2-CD1 3.78Å; L137-L162 HydrophobicContact CG-CD1 4.34Å; L140-L162 HydrophobicContact CD1-CD1 3.55Å; V158-L162 HydrophobicContact CG1-CD1 4.05Å; V158-L162 HydrophobicContact CG1-CG 4.5Å; V158-L162 PolarHBondContact O-N 3.22Å; I159-L162 PolarHBondContact O-N 2.89Å; I159-L162 VanDerWaalsContact O-N 3.17Å; L162-Q164 PolarHBondContact O-N 3.24Å; L162-Q164 VanDerWaalsContact O-N 3.17Å; L162-H165 WeakPolarHBondContact O-CB 2.91Å; L162-H165 PolarHBondContact O-N 2.98Å; L162-E166 PolarHBondContact O-N 2.99Å
163L90.8Very high88.3Confident3 Ų346.7 Ų46.72%0.01623%0.229CC..Hα-helixtrans-61.4-27.1179.5-67.5-173.6000113.1I159 E166 H170 I173 I174 L196 Y200I159-L163 HydrophobicContact CG2-CD1 3.9Å; I159-L163 HydrophobicContact CG2-CG 4.02Å; I159-L163 WeakPolarHBondContact O-CG 3.35Å; I159-L163 PolarHBondContact O-N 2.99Å; L163-E166 PolarHBondContact O-N 3.07Å; L163-H170 HydrophobicContact CD1-CB 4.49Å; L163-H170 HydrophobicContact CD2-CB 3.47Å; L163-H170 VanDerWaalsContact CD2-CB 3.47Å; L163-H170 WeakPolarHBondContact CD2-CD2 3.48Å; L163-I173 HydrophobicContact CD1-CG2 4.23Å; L163-I174 HydrophobicContact CD1-CG1 4.29Å; L163-L196 HydrophobicContact CB-CD2 4.39Å; L163-L196 HydrophobicContact CD1-CD1 4.45Å; L163-L196 HydrophobicContact CD1-CD2 4.08Å; L163-Y200 HydrophobicContact CB-CE2 4.5Å; L163-Y200 PolarHBondContact O-OH 3.27Å
164Q88.9Confident88.3Confident26 Ų2646.4 Ų46.412%0.12123%0.227CC..Hα-helixtrans-75.8-22.1174.8-76.4174.580.700113.4K160 N161 L162 E166 W195 V298K160-Q164 WeakPolarHBondContact O-CG 3.43Å; K160-Q164 PolarHBondContact O-N 3.16Å; K160-Q164 PolarHBondContact O-NE2 3.17Å; N161-Q164 PolarHBondContact O-N 2.89Å; L162-Q164 PolarHBondContact O-N 3.24Å; L162-Q164 VanDerWaalsContact O-N 3.17Å; Q164-E166 VanDerWaalsContact C-N 3.35Å; Q164-W195 HydrophobicContact CG-CH2 3.45Å; Q164-W195 VanDerWaalsContact CG-CH2 3.45Å; Q164-W195 HydrophobicContact CG-CZ2 4.46Å; Q164-W195 HydrophobicContact CG-CZ3 3.77Å; Q164-W195 VanDerWaalsContact OE1-CH2 3.27Å; Q164-V298 HydrophobicContact CB-CG1 4.12Å; Q164-V298 WeakPolarHBondContact O-CG2 3.42Å
165H82.9Confident88.4Confident82 Ų8246 Ų4638%0.3823%0.227SC..Hα-helixtrans-80-18.9173.1-84.2-82.6000112.2N161 L162 V298 P299N161-H165 PolarHBondContact O-CD2 3.28Å; L162-H165 WeakPolarHBondContact O-CB 2.91Å; L162-H165 PolarHBondContact O-N 2.98Å; H165-V298 HydrophobicContact CB-CG1 4.26Å; H165-V298 WeakPolarHBondContact CD2-CG1 3.48Å; H165-V298 WeakPolarHBondContact CE1-CG1 3.41Å; H165-V298 VanDerWaalsContact CG-CG1 3.43Å; H165-V298 WeakPolarHBondContact NE2-CG1 3.17Å; H165-P299 PolarHBondContact NE2-O 2.83Å; H165-P299 VanDerWaalsContact NE2-O 3.11Å
166E77.6Confident88.4Confident21 Ų2148.7 Ų48.710%0.09824%0.243CC..  trans-99.6136.5-174.6-68.1-168.4-136.800113.2R133 L137 L162 L163 Q164 T168 H170R133-E166 VanDerWaalsContact CD-CD 3.44Å; R133-E166 WeakPolarHBondContact CD-OE1 3.31Å; R133-E166 WeakPolarHBondContact CG-OE1 3.43Å; L137-E166 VanDerWaalsContact CD1-OE1 3.29Å; L137-E166 WeakPolarHBondContact CD1-OE1 3.11Å; L162-E166 PolarHBondContact O-N 2.99Å; L163-E166 PolarHBondContact O-N 3.07Å; Q164-E166 VanDerWaalsContact C-N 3.35Å; E166-T168 VanDerWaalsContact C-N 3.32Å; E166-T168 PolarHBondContact OE2-OG1 2.82Å; E166-H170 VanDerWaalsContact CD-NE2 3.31Å; E166-H170 IonicContact OE1-NE2 2.94Å; E166-H170 IonicContact OE2-CD2 2.59Å; E166-H170 IonicContact OE2-CE1 3.39Å; E166-H170 PolarHBondContact OE2-CE1 3.32Å; E166-H170 IonicContact OE2-NE2 2.63Å; E166-H170 PolarHBondContact OE2-NE2 3Å
167L67.6Low88.3Confident179 Ų17948.7 Ų48.794%0.93724%0.244SC*.  trans-86-8.4173-63.2171.8000112.4
168T74.4Confident88.3Confident82 Ų8246.9 Ų46.950%0.50323%0.234SC..SBendtrans-81.8151.3-179.6480000111.2E166 H170E166-T168 VanDerWaalsContact C-N 3.32Å; E166-T168 PolarHBondContact OE2-OG1 2.82Å; T168-H170 PolarHBondContact O-CD2 3.45Å; T168-H170 PolarHBondContact OG1-NE2 2.6Å; T168-H170 VanDerWaalsContact OG1-NE2 3.16Å
169H75.9Confident88.3Confident137 Ų13753.7 Ų53.763%0.63426%0.264SS*.  trans-88115.5-179.5-67.9-94.4000110.6R171 E203H169-R171 PolarHBondContact O-N 3.18Å; H169-E203 IonicContact CE1-OE1 2.79Å; H169-E203 PolarHBondContact CE1-OE1 2.78Å; H169-E203 IonicContact CG-OE1 2.66Å; H169-E203 IonicContact ND1-OE1 3.69Å; H169-E203 PolarHBondContact ND1-OE1 3.22Å
170H84.7Confident88.2Confident28 Ų2854.6 Ų54.613%0.1327%0.269CS..  trans-10254.3-180-72.3-81.3000112.7L163 E166 T168 D172 I173 I174L163-H170 HydrophobicContact CD1-CB 4.49Å; L163-H170 HydrophobicContact CD2-CB 3.47Å; L163-H170 VanDerWaalsContact CD2-CB 3.47Å; L163-H170 WeakPolarHBondContact CD2-CD2 3.48Å; E166-H170 VanDerWaalsContact CD-NE2 3.31Å; E166-H170 IonicContact OE1-NE2 2.94Å; E166-H170 IonicContact OE2-CD2 2.59Å; E166-H170 IonicContact OE2-CE1 3.39Å; E166-H170 PolarHBondContact OE2-CE1 3.32Å; E166-H170 IonicContact OE2-NE2 2.63Å; E166-H170 PolarHBondContact OE2-NE2 3Å; T168-H170 PolarHBondContact O-CD2 3.45Å; T168-H170 PolarHBondContact OG1-NE2 2.6Å; T168-H170 VanDerWaalsContact OG1-NE2 3.16Å; H170-D172 VanDerWaalsContact C-N 3.29Å; H170-D172 PolarHBondContact O-N 3.1Å; H170-I173 HydrophobicContact CB-CB 4.2Å; H170-I173 HydrophobicContact CB-CD1 4.13Å; H170-I173 HydrophobicContact CB-CG1 4.29Å; H170-I173 PolarHBondContact O-N 2.98Å; H170-I174 WeakPolarHBondContact O-CD1 3.41Å; H170-I174 WeakPolarHBondContact O-CG1 3.28Å; H170-I174 PolarHBondContact O-N 3.36Å
171R92.1Very high88.2Confident128 Ų12852.6 Ų52.648%0.48326%0.26SS..Hα-helixtrans-50.5-47.8-174.5-177.9177.8157.6101-0.7112.8H169 I173 I174 V175 E203H169-R171 PolarHBondContact O-N 3.18Å; R171-I173 VanDerWaalsContact C-N 3.34Å; R171-I173 PolarHBondContact O-N 3.28Å; R171-I174 PolarHBondContact O-N 2.91Å; R171-V175 HydrophobicContact CG-CG2 4.32Å; R171-V175 VanDerWaalsContact O-CG2 3.3Å; R171-V175 WeakPolarHBondContact O-CG2 3.38Å; R171-V175 PolarHBondContact O-N 3.27Å; R171-E203 HydrophobicContact CB-CB 4.36Å; R171-E203 WeakPolarHBondContact CB-OE2 3.39Å; R171-E203 HydrophobicContact CG-CB 4.25Å; R171-E203 PolarHBondContact NH1-O 3.42Å
172D92.5Very high88.2Confident125 Ų12555.7 Ų55.767%0.66828%0.276SS*.Hα-helixtrans-66-37.2-174.3-62.3-30000112.3H170 T176H170-D172 VanDerWaalsContact C-N 3.29Å; H170-D172 PolarHBondContact O-N 3.1Å; D172-T176 WeakPolarHBondContact O-CB 3.29Å; D172-T176 PolarHBondContact O-N 2.82Å; D172-T176 PolarHBondContact O-OG1 2.92Å
173I92.9Very high88.1Confident20 Ų2063.1 Ų63.110%0.10331%0.309CS..Hα-helixtrans-65.8-46.7175.1-57.1-175.7000109.7L137 V141 I159 L163 H170 R171 V175 T176 M177L137-I173 HydrophobicContact CB-CD1 4.18Å; L137-I173 HydrophobicContact CD1-CD1 4.23Å; L137-I173 HydrophobicContact CD2-CD1 4.28Å; L137-I173 HydrophobicContact CG-CD1 4.49Å; V141-I173 HydrophobicContact CG2-CD1 4.26Å; V141-I173 HydrophobicContact CG2-CG1 4.05Å; V141-I173 HydrophobicContact CG2-CG2 3.99Å; I159-I173 HydrophobicContact CG2-CG2 3.63Å; L163-I173 HydrophobicContact CD1-CG2 4.23Å; H170-I173 HydrophobicContact CB-CB 4.2Å; H170-I173 HydrophobicContact CB-CD1 4.13Å; H170-I173 HydrophobicContact CB-CG1 4.29Å; H170-I173 PolarHBondContact O-N 2.98Å; R171-I173 VanDerWaalsContact C-N 3.34Å; R171-I173 PolarHBondContact O-N 3.28Å; I173-V175 VanDerWaalsContact C-N 3.34Å; I173-V175 PolarHBondContact O-N 3.49Å; I173-T176 WeakPolarHBondContact O-CB 3.48Å; I173-T176 PolarHBondContact O-N 3.43Å; I173-T176 VanDerWaalsContact O-N 3.14Å; I173-M177 HydrophobicContact CG2-CG 4.42Å; I173-M177 HydrophobicContact CG2-SD 4.17Å; I173-M177 WeakPolarHBondContact O-CG 2.9Å; I173-M177 PolarHBondContact O-N 3.24Å
174I93.6Very high88.2Confident1 Ų163.2 Ų63.21%0.00531%0.31CS..Hα-helixtrans-62-42.3179.3-62.2156.8000110.9L163 H170 R171 T176 M177 A178 Y200 E203 V204L163-I174 HydrophobicContact CD1-CG1 4.29Å; H170-I174 WeakPolarHBondContact O-CD1 3.41Å; H170-I174 WeakPolarHBondContact O-CG1 3.28Å; H170-I174 PolarHBondContact O-N 3.36Å; R171-I174 PolarHBondContact O-N 2.91Å; I174-T176 VanDerWaalsContact C-N 3.33Å; I174-T176 PolarHBondContact O-N 3.15Å; I174-M177 PolarHBondContact O-N 2.99Å; I174-A178 VanDerWaalsContact O-CB 3.25Å; I174-A178 WeakPolarHBondContact O-CB 3.32Å; I174-A178 PolarHBondContact O-N 2.96Å; I174-Y200 VanDerWaalsContact CD1-CB 3.42Å; I174-Y200 HydrophobicContact CD1-CD1 4.28Å; I174-Y200 HydrophobicContact CD1-CD2 4.17Å; I174-Y200 HydrophobicContact CD1-CG 3.72Å; I174-E203 HydrophobicContact CD1-CB 3.99Å; I174-E203 HydrophobicContact CD1-CG 3.9Å; I174-V204 HydrophobicContact CG2-CG1 3.88Å; I174-V204 HydrophobicContact CG2-CG2 3.87Å
175V95.5Very high88.2Confident30 Ų3068 Ų6818%0.18233%0.332CS..Hα-helixtrans-59.8-45.3174.4169.50000110.8R171 I173 A178 K179 V204 L207R171-V175 HydrophobicContact CG-CG2 4.32Å; R171-V175 VanDerWaalsContact O-CG2 3.3Å; R171-V175 WeakPolarHBondContact O-CG2 3.38Å; R171-V175 PolarHBondContact O-N 3.27Å; I173-V175 VanDerWaalsContact C-N 3.34Å; I173-V175 PolarHBondContact O-N 3.49Å; V175-A178 PolarHBondContact O-N 2.82Å; V175-K179 HydrophobicContact CG1-CD 4.27Å; V175-K179 WeakPolarHBondContact O-CG 3.36Å; V175-K179 PolarHBondContact O-N 2.93Å; V175-V204 HydrophobicContact CG2-CG1 3.55Å; V175-L207 HydrophobicContact CG1-CD2 4.29Å
176T93.8Very high88.7Confident55 Ų5565.6 Ų65.634%0.33732%0.323SS..Hα-helixtrans-63-46.9179.9-56.30000111V141 M144 D172 I173 I174 A178 K179 L180V141-T176 HydrophobicContact CG1-CG2 4.3Å; M144-T176 HydrophobicContact CE-CG2 3.67Å; D172-T176 WeakPolarHBondContact O-CB 3.29Å; D172-T176 PolarHBondContact O-N 2.82Å; D172-T176 PolarHBondContact O-OG1 2.92Å; I173-T176 WeakPolarHBondContact O-CB 3.48Å; I173-T176 PolarHBondContact O-N 3.43Å; I173-T176 VanDerWaalsContact O-N 3.14Å; I174-T176 VanDerWaalsContact C-N 3.33Å; I174-T176 PolarHBondContact O-N 3.15Å; T176-A178 PolarHBondContact O-N 3.18Å; T176-K179 PolarHBondContact O-N 3.4Å; T176-L180 WeakPolarHBondContact O-CG 3.35Å; T176-L180 PolarHBondContact O-N 3.47Å
177M92.9Very high89.6Confident1 Ų166.9 Ų66.91%0.00533%0.333CS..Hα-helixtrans-62.3-42.5177-69.5-175.711800112.6M144 V156 I159 I173 I174 K179 L180 I193 L196M144-M177 HydrophobicContact CE-CG 3.97Å; M144-M177 HydrophobicContact SD-CE 4.03Å; M144-M177 HydrophobicContact SD-CG 3.79Å; V156-M177 HydrophobicContact CB-CE 3.92Å; V156-M177 HydrophobicContact CG1-CE 3.83Å; V156-M177 HydrophobicContact CG2-CE 3.92Å; V156-M177 WeakPolarHBondContact O-CE 3.33Å; I159-M177 HydrophobicContact CB-CE 3.64Å; I159-M177 HydrophobicContact CB-SD 4.39Å; I159-M177 HydrophobicContact CD1-CE 4.04Å; I159-M177 HydrophobicContact CG1-CE 4.45Å; I159-M177 HydrophobicContact CG2-CE 3.56Å; I159-M177 HydrophobicContact CG2-SD 3.63Å; I173-M177 HydrophobicContact CG2-CG 4.42Å; I173-M177 HydrophobicContact CG2-SD 4.17Å; I173-M177 WeakPolarHBondContact O-CG 2.9Å; I173-M177 PolarHBondContact O-N 3.24Å; I174-M177 PolarHBondContact O-N 2.99Å; M177-K179 VanDerWaalsContact C-N 3.28Å; M177-K179 PolarHBondContact O-N 2.91Å; M177-L180 WeakPolarHBondContact O-CB 3.4Å; M177-L180 PolarHBondContact O-N 3.46Å; M177-L180 VanDerWaalsContact O-N 3.09Å; M177-I193 HydrophobicContact CB-CG1 4.46Å; M177-I193 WeakPolarHBondContact O-CG2 3.37Å; M177-L196 HydrophobicContact CE-CD1 3.86Å; M177-L196 HydrophobicContact SD-CD1 3.31Å; M177-L196 WeakPolarHBondContact SD-CD1 3.35Å
178A94.7Very high90.8Very high1 Ų161.6 Ų61.61%0.00831%0.308CS..Hα-helixtrans-61.1-36.3176.500000112.4I174 V175 T176 L180 I181 V197 L207 V211I174-A178 VanDerWaalsContact O-CB 3.25Å; I174-A178 WeakPolarHBondContact O-CB 3.32Å; I174-A178 PolarHBondContact O-N 2.96Å; V175-A178 PolarHBondContact O-N 2.82Å; T176-A178 PolarHBondContact O-N 3.18Å; A178-L180 VanDerWaalsContact C-N 3.29Å; A178-L180 PolarHBondContact O-N 2.72Å; A178-I181 VanDerWaalsContact O-CG2 3.26Å; A178-I181 WeakPolarHBondContact O-CG2 3.3Å; A178-I181 PolarHBondContact O-N 3.26Å; A178-V197 HydrophobicContact CB-CG2 3.81Å; A178-L207 HydrophobicContact CB-CD2 3.41Å; A178-L207 VanDerWaalsContact CB-CD2 3.41Å; A178-L207 HydrophobicContact CB-CG 3.93Å; A178-V211 HydrophobicContact CB-CG2 3.88Å
179K94Very high91.8Very high142 Ų14257.7 Ų57.762%0.61728%0.284SS*.Hα-helixtrans-69.4-24.7175.3-72.7174.9179.2-178.90113.2V175 T176 M177 I181 L207V175-K179 HydrophobicContact CG1-CD 4.27Å; V175-K179 WeakPolarHBondContact O-CG 3.36Å; V175-K179 PolarHBondContact O-N 2.93Å; T176-K179 PolarHBondContact O-N 3.4Å; M177-K179 VanDerWaalsContact C-N 3.28Å; M177-K179 PolarHBondContact O-N 2.91Å; K179-I181 VanDerWaalsContact C-N 3.29Å; K179-I181 PolarHBondContact O-N 2.95Å; K179-L207 HydrophobicContact CG-CD2 4.41Å
180L91.3Very high92.7Very high19 Ų1952 Ų5210%0.09926%0.257CS..G310 helixtrans-80-6.2180-69.1171.1000114M144 T176 M177 A178 D182 K183 V184M144-L180 HydrophobicContact CB-CD1 3.53Å; M144-L180 HydrophobicContact CE-CD1 3.85Å; M144-L180 HydrophobicContact CG-CD1 4.17Å; M144-L180 HydrophobicContact SD-CD1 3.63Å; T176-L180 WeakPolarHBondContact O-CG 3.35Å; T176-L180 PolarHBondContact O-N 3.47Å; M177-L180 WeakPolarHBondContact O-CB 3.4Å; M177-L180 PolarHBondContact O-N 3.46Å; M177-L180 VanDerWaalsContact O-N 3.09Å; A178-L180 VanDerWaalsContact C-N 3.29Å; A178-L180 PolarHBondContact O-N 2.72Å; L180-D182 PolarHBondContact O-N 2.75Å; L180-K183 HydrophobicContact CD2-CD 4.17Å; L180-K183 PolarHBondContact O-N 3.39Å; L180-V184 HydrophobicContact CB-CG2 4.12Å; L180-V184 WeakPolarHBondContact O-CG2 3.47Å; L180-V184 PolarHBondContact O-N 2.49Å
181I94.3Very high93.3Very high0 Ų051.1 Ų51.10%026%0.255CS..G310 helixtrans-56.7-28.2-176.1-166.159.3000113.7A178 K179 R190 I193 L194 V211 K214 V215A178-I181 VanDerWaalsContact O-CG2 3.26Å; A178-I181 WeakPolarHBondContact O-CG2 3.3Å; A178-I181 PolarHBondContact O-N 3.26Å; K179-I181 VanDerWaalsContact C-N 3.29Å; K179-I181 PolarHBondContact O-N 2.95Å; I181-R190 HydrophobicContact CD1-CB 4.38Å; I181-R190 PolarHBondContact O-NH1 2.83Å; I181-I193 HydrophobicContact CD1-CB 4.34Å; I181-I193 HydrophobicContact CD1-CG2 4.16Å; I181-L194 HydrophobicContact CD1-CD2 4.21Å; I181-L194 HydrophobicContact CD1-CG 4.31Å; I181-V211 HydrophobicContact CG1-CG1 4.31Å; I181-K214 HydrophobicContact CG2-CD 4.23Å; I181-V215 HydrophobicContact CD1-CG2 4.29Å; I181-V215 HydrophobicContact CG1-CG2 3.91Å
182D90.9Very high93.5Very high89 Ų8945.4 Ų45.448%0.47624%0.235SC..G310 helixtrans-83.3-22.8178.2-62.6-36.6000113L180 K214L180-D182 PolarHBondContact O-N 2.75Å; D182-K214 WeakPolarHBondContact OD2-CD 3.37Å; D182-K214 WeakPolarHBondContact OD2-CE 3.27Å; D182-K214 IonicContact OD2-NZ 2.83Å; D182-K214 PolarHBondContact OD2-NZ 2.68Å
183K89.9Confident93.7Very high157 Ų15739.5 Ų39.568%0.68320%0.203SC*.THydrogen-bonded Turntrans-88.3-38-178-63.5-171.9179.5-174.80112L180 Q185L180-K183 HydrophobicContact CD2-CD 4.17Å; L180-K183 PolarHBondContact O-N 3.39Å; K183-Q185 PolarHBondContact O-N 3.41Å
184V91.2Very high94Very high5 Ų538.6 Ų38.63%0.0320%0.198CC..  trans-75.7116.1-175179.10000110.5V152 L180 A189 R190 I193V152-V184 HydrophobicContact CG1-CG2 3.79Å; L180-V184 HydrophobicContact CB-CG2 4.12Å; L180-V184 WeakPolarHBondContact O-CG2 3.47Å; L180-V184 PolarHBondContact O-N 2.49Å; V184-A189 HydrophobicContact CG1-CB 3.54Å; V184-R190 HydrophobicContact CB-CG 4.39Å; V184-R190 HydrophobicContact CG1-CG 4.03Å; V184-R190 WeakPolarHBondContact O-CD 3.26Å; V184-R190 WeakPolarHBondContact O-CG 3.11Å; V184-R190 PolarHBondContact O-NH1 3.23Å; V184-I193 HydrophobicContact CB-CD1 4.31Å; V184-I193 HydrophobicContact CG2-CD1 4.05Å
185Q90.2Very high94.1Very high125 Ų12539.6 Ų39.658%0.58420%0.202SC*.  trans-91.6-28.9177.3-60-59.5-15.200113.1K183 P187K183-Q185 PolarHBondContact O-N 3.41Å; Q185-P187 VanDerWaalsContact O-CD 3.32Å; Q185-P187 WeakPolarHBondContact O-CD 3.39Å
186V93.1Very high94Very high33 Ų3338.2 Ų38.220%0.219%0.194CC..  trans-63.5119.2-175.2-1780000110.9D149 A153 T188 A189 R190D149-V186 HydrophobicContact CB-CG2 4.09Å; A153-V186 HydrophobicContact CB-CB 3.72Å; A153-V186 HydrophobicContact CB-CG1 3.74Å; A153-V186 HydrophobicContact CB-CG2 3.81Å; V186-T188 PolarHBondContact O-N 2.92Å; V186-A189 HydrophobicContact CB-CB 4.2Å; V186-A189 WeakPolarHBondContact O-CB 3.28Å; V186-A189 PolarHBondContact O-N 2.94Å; V186-A189 VanDerWaalsContact O-N 3.1Å; V186-R190 WeakPolarHBondContact O-CG 3.33Å; V186-R190 PolarHBondContact O-N 3.28Å
187P95.6Very high94.1Very high48 Ų4835.7 Ų35.731%0.31218%0.178SC..Hα-helixtrans-57.1-42.1-172.1-3035.9000115.1Q185 A189 R190 A191 E223 V225 V226Q185-P187 VanDerWaalsContact O-CD 3.32Å; Q185-P187 WeakPolarHBondContact O-CD 3.39Å; P187-A189 VanDerWaalsContact C-N 3.3Å; P187-A189 PolarHBondContact O-N 3.4Å; P187-R190 PolarHBondContact O-N 3.4Å; P187-A191 VanDerWaalsContact O-CB 3.28Å; P187-A191 WeakPolarHBondContact O-CB 3.47Å; P187-A191 PolarHBondContact O-N 2.66Å; P187-E223 HydrophobicContact CB-CB 3.86Å; P187-E223 HydrophobicContact CB-CG 3.96Å; P187-E223 HydrophobicContact CG-CB 4.06Å; P187-E223 HydrophobicContact CG-CG 3.56Å; P187-V225 HydrophobicContact CB-CG2 3.98Å; P187-V226 HydrophobicContact CB-CG2 4.08Å; P187-V226 VanDerWaalsContact O-CG2 3.3Å; P187-V226 WeakPolarHBondContact O-CG2 3.42Å
188T92.9Very high94.1Very high68 Ų6835.7 Ų35.742%0.41718%0.179SC..Hα-helixtrans-65.6-34.1-179.950.70000112.2V186 S192V186-T188 PolarHBondContact O-N 2.92Å; T188-S192 VanDerWaalsContact O-CB 3.32Å; T188-S192 WeakPolarHBondContact O-CB 3.08Å; T188-S192 PolarHBondContact O-N 3.12Å; T188-S192 PolarHBondContact O-OG 3.14Å
189A95.1Very high94Very high0 Ų037.5 Ų37.50%019%0.187CC..Hα-helixtrans-73.8-45.3175.500000111.5A153 V156 V184 V186 P187 A191 S192 I193A153-A189 HydrophobicContact CB-CB 3.73Å; V156-A189 HydrophobicContact CB-CB 4.25Å; V156-A189 HydrophobicContact CG1-CB 4.06Å; V184-A189 HydrophobicContact CG1-CB 3.54Å; V186-A189 HydrophobicContact CB-CB 4.2Å; V186-A189 WeakPolarHBondContact O-CB 3.28Å; V186-A189 PolarHBondContact O-N 2.94Å; V186-A189 VanDerWaalsContact O-N 3.1Å; P187-A189 VanDerWaalsContact C-N 3.3Å; P187-A189 PolarHBondContact O-N 3.4Å; A189-A191 PolarHBondContact O-N 3.31Å; A189-S192 WeakPolarHBondContact O-CA 3.38Å; A189-S192 WeakPolarHBondContact O-CB 3.26Å; A189-S192 PolarHBondContact O-N 3.23Å; A189-I193 WeakPolarHBondContact O-CG1 3.24Å; A189-I193 PolarHBondContact O-N 2.82Å
190R96.7Very high93.9Very high16 Ų1633 Ų336%0.0617%0.167CC..Hα-helixtrans-55.5-49.6172.9-65.6176.765.265.33.4111.6I181 V184 V186 P187 S192 I193 L194 E222 V226I181-R190 HydrophobicContact CD1-CB 4.38Å; I181-R190 PolarHBondContact O-NH1 2.83Å; V184-R190 HydrophobicContact CB-CG 4.39Å; V184-R190 HydrophobicContact CG1-CG 4.03Å; V184-R190 WeakPolarHBondContact O-CD 3.26Å; V184-R190 WeakPolarHBondContact O-CG 3.11Å; V184-R190 PolarHBondContact O-NH1 3.23Å; V186-R190 WeakPolarHBondContact O-CG 3.33Å; V186-R190 PolarHBondContact O-N 3.28Å; P187-R190 PolarHBondContact O-N 3.4Å; R190-S192 VanDerWaalsContact C-N 3.25Å; R190-S192 PolarHBondContact O-N 3.4Å; R190-I193 PolarHBondContact O-N 2.67Å; R190-L194 WeakPolarHBondContact O-CG 3.48Å; R190-L194 PolarHBondContact O-N 3.16Å; R190-E222 IonicContact CZ-OE1 3.81Å; R190-E222 IonicContact CZ-OE2 3.67Å; R190-E222 IonicContact NE-OE1 3.89Å; R190-E222 IonicContact NE-OE2 3.97Å; R190-E222 PolarHBondContact NE-OE2 3.05Å; R190-E222 IonicContact NH2-OE1 2.68Å; R190-E222 PolarHBondContact NH2-OE1 3.44Å; R190-E222 IonicContact NH2-OE2 2.68Å; R190-E222 PolarHBondContact NH2-OE2 3.4Å; R190-V226 HydrophobicContact CB-CG1 4.23Å; R190-V226 HydrophobicContact CB-CG2 3.88Å
191A97.1Very high94Very high10 Ų1032.3 Ų32.38%0.08316%0.163CC..Hα-helixtrans-59.4-37.8176.300000111.7P187 A189 L194 W195 V225 V226 Q229P187-A191 VanDerWaalsContact O-CB 3.28Å; P187-A191 WeakPolarHBondContact O-CB 3.47Å; P187-A191 PolarHBondContact O-N 2.66Å; A189-A191 PolarHBondContact O-N 3.31Å; A191-L194 PolarHBondContact O-N 2.91Å; A191-W195 VanDerWaalsContact O-CB 3.3Å; A191-W195 WeakPolarHBondContact O-CB 3.46Å; A191-W195 PolarHBondContact O-N 3.38Å; A191-V225 HydrophobicContact CB-CB 4.45Å; A191-V225 HydrophobicContact CB-CG2 4.35Å; A191-V226 HydrophobicContact CB-CG2 4.29Å; A191-Q229 HydrophobicContact CB-CG 3.94Å
192S95.5Very high93.8Very high9 Ų937.8 Ų37.86%0.06319%0.188CC..Hα-helixtrans-67.1-40.2176.5-66.50000112.9T188 A189 R190 W195 L196T188-S192 VanDerWaalsContact O-CB 3.32Å; T188-S192 WeakPolarHBondContact O-CB 3.08Å; T188-S192 PolarHBondContact O-N 3.12Å; T188-S192 PolarHBondContact O-OG 3.14Å; A189-S192 WeakPolarHBondContact O-CA 3.38Å; A189-S192 WeakPolarHBondContact O-CB 3.26Å; A189-S192 PolarHBondContact O-N 3.23Å; R190-S192 VanDerWaalsContact C-N 3.25Å; R190-S192 PolarHBondContact O-N 3.4Å; S192-W195 PolarHBondContact O-N 3.1Å; S192-L196 WeakPolarHBondContact O-CG 3.24Å; S192-L196 PolarHBondContact O-N 3.35Å
193I97.2Very high93.8Very high0 Ų035 Ų350%017%0.173CC..Hα-helixtrans-61.9-49.3173.1-65.9166.6000110.2V156 M177 I181 V184 A189 R190 W195 L196 V197V156-I193 HydrophobicContact CG1-CD1 4.36Å; V156-I193 HydrophobicContact CG1-CG1 3.79Å; V156-I193 HydrophobicContact CG2-CD1 4.44Å; M177-I193 HydrophobicContact CB-CG1 4.46Å; M177-I193 WeakPolarHBondContact O-CG2 3.37Å; I181-I193 HydrophobicContact CD1-CB 4.34Å; I181-I193 HydrophobicContact CD1-CG2 4.16Å; V184-I193 HydrophobicContact CB-CD1 4.31Å; V184-I193 HydrophobicContact CG2-CD1 4.05Å; A189-I193 WeakPolarHBondContact O-CG1 3.24Å; A189-I193 PolarHBondContact O-N 2.82Å; R190-I193 PolarHBondContact O-N 2.67Å; I193-W195 VanDerWaalsContact C-N 3.29Å; I193-W195 PolarHBondContact O-N 3.31Å; I193-L196 PolarHBondContact O-N 2.84Å; I193-L196 VanDerWaalsContact O-N 3.14Å; I193-V197 HydrophobicContact CG2-CG2 4.29Å; I193-V197 WeakPolarHBondContact O-CG2 3.36Å; I193-V197 PolarHBondContact O-N 3.02Å
194L98Very high93.9Very high1 Ų127.8 Ų27.81%0.00514%0.142CC..Hα-helixtrans-61.5-39179-66.8179.6000112.5I181 R190 A191 G198 V211 V215 V226 Q229 A230 L233I181-L194 HydrophobicContact CD1-CD2 4.21Å; I181-L194 HydrophobicContact CD1-CG 4.31Å; R190-L194 WeakPolarHBondContact O-CG 3.48Å; R190-L194 PolarHBondContact O-N 3.16Å; A191-L194 PolarHBondContact O-N 2.91Å; L194-G198 PolarHBondContact O-N 3.33Å; L194-V211 HydrophobicContact CD2-CG1 3.55Å; L194-V215 HydrophobicContact CD1-CG1 4.15Å; L194-V215 HydrophobicContact CD1-CG2 4.26Å; L194-V215 HydrophobicContact CD2-CG2 3.87Å; L194-V226 HydrophobicContact CD1-CG1 3.64Å; L194-Q229 HydrophobicContact CB-CB 3.84Å; L194-Q229 HydrophobicContact CD1-CB 4.29Å; L194-A230 HydrophobicContact CD1-CB 4.17Å; L194-L233 HydrophobicContact CD2-CD2 3.8Å
195W95.5Very high94Very high23 Ų2330.8 Ų30.89%0.08716%0.161CC..Hα-helixtrans-61.5-46.1174.3-176101.8000111.2K160 Q164 A191 S192 I193 G198 E199 Y200 K296K160-W195 HydrophobicContact CD-CE3 4.17Å; K160-W195 HydrophobicContact CG-CE3 4.1Å; K160-W195 HydrophobicContact CG-CZ3 4.35Å; Q164-W195 HydrophobicContact CG-CH2 3.45Å; Q164-W195 VanDerWaalsContact CG-CH2 3.45Å; Q164-W195 HydrophobicContact CG-CZ2 4.46Å; Q164-W195 HydrophobicContact CG-CZ3 3.77Å; Q164-W195 VanDerWaalsContact OE1-CH2 3.27Å; A191-W195 VanDerWaalsContact O-CB 3.3Å; A191-W195 WeakPolarHBondContact O-CB 3.46Å; A191-W195 PolarHBondContact O-N 3.38Å; S192-W195 PolarHBondContact O-N 3.1Å; I193-W195 VanDerWaalsContact C-N 3.29Å; I193-W195 PolarHBondContact O-N 3.31Å; W195-G198 PolarHBondContact O-N 3.01Å; W195-E199 HydrophobicContact CE3-CB 4.25Å; W195-E199 HydrophobicContact CH2-CB 4.11Å; W195-E199 HydrophobicContact CH2-CG 3.87Å; W195-E199 HydrophobicContact CZ2-CG 4.49Å; W195-E199 HydrophobicContact CZ3-CB 3.92Å; W195-E199 HydrophobicContact CZ3-CG 4.13Å; W195-E199 WeakPolarHBondContact O-CB 2.95Å; W195-E199 PolarHBondContact O-N 3.02Å; W195-Y200 HydrophobicContact CZ3-CE2 4.39Å; W195-K296 HydrophobicContact CZ2-CB 4.08Å; W195-K296 HydrophobicContact CZ2-CD 3.62Å; W195-K296 HydrophobicContact CZ2-CG 3.91Å
196L94.4Very high94.1Very high1 Ų130.9 Ų30.91%0.00517%0.165CC..Hα-helixtrans-64.2-48.1179.4-80.4173.5000111.9K160 L163 M177 S192 I193 G198 E199 Y200K160-L196 HydrophobicContact CB-CD1 3.78Å; K160-L196 HydrophobicContact CB-CD2 4.26Å; K160-L196 HydrophobicContact CB-CG 4.03Å; K160-L196 HydrophobicContact CG-CD1 4.31Å; K160-L196 HydrophobicContact CG-CD2 4.1Å; K160-L196 HydrophobicContact CG-CG 4Å; L163-L196 HydrophobicContact CB-CD2 4.39Å; L163-L196 HydrophobicContact CD1-CD1 4.45Å; L163-L196 HydrophobicContact CD1-CD2 4.08Å; M177-L196 HydrophobicContact CE-CD1 3.86Å; M177-L196 HydrophobicContact SD-CD1 3.31Å; M177-L196 WeakPolarHBondContact SD-CD1 3.35Å; S192-L196 WeakPolarHBondContact O-CG 3.24Å; S192-L196 PolarHBondContact O-N 3.35Å; I193-L196 PolarHBondContact O-N 2.84Å; I193-L196 VanDerWaalsContact O-N 3.14Å; L196-G198 PolarHBondContact O-N 3.42Å; L196-E199 PolarHBondContact O-N 2.92Å; L196-E199 VanDerWaalsContact O-N 3.17Å; L196-Y200 HydrophobicContact CD2-CD2 3.92Å; L196-Y200 HydrophobicContact CD2-CE2 3.63Å; L196-Y200 WeakPolarHBondContact O-CD2 3.28Å; L196-Y200 PolarHBondContact O-N 2.68Å
197V95.5Very high94.1Very high1 Ų131.3 Ų31.31%0.00617%0.166CC..Hα-helixtrans-60.2-37.3176.1173.30000110.7A178 I193 N201 V204 A208 V211 L233A178-V197 HydrophobicContact CB-CG2 3.81Å; I193-V197 HydrophobicContact CG2-CG2 4.29Å; I193-V197 WeakPolarHBondContact O-CG2 3.36Å; I193-V197 PolarHBondContact O-N 3.02Å; V197-N201 WeakPolarHBondContact O-CA 3.13Å; V197-N201 VanDerWaalsContact O-CB 3.24Å; V197-N201 WeakPolarHBondContact O-CB 3.46Å; V197-N201 PolarHBondContact O-N 3.03Å; V197-N201 VanDerWaalsContact O-N 3.08Å; V197-V204 HydrophobicContact CG1-CG2 4.31Å; V197-A208 HydrophobicContact CG1-CB 3.42Å; V197-A208 VanDerWaalsContact CG1-CB 3.42Å; V197-V211 HydrophobicContact CG1-CB 4.47Å; V197-L233 HydrophobicContact CG1-CD1 4.05Å; V197-L233 HydrophobicContact CG1-CD2 4.45Å
198G94Very high94.2Very high2 Ų229 Ų292%0.02115%0.151CC..Hα-helixtrans-68.4-42175.200000112.9L194 W195 L196 N201 L233 K236L194-G198 PolarHBondContact O-N 3.33Å; W195-G198 PolarHBondContact O-N 3.01Å; L196-G198 PolarHBondContact O-N 3.42Å; G198-N201 PolarHBondContact O-ND2 3.18Å; G198-L233 VanDerWaalsContact CA-CD1 3.47Å; G198-K236 WeakPolarHBondContact O-CD 3.44Å
199E92Very high94.4Very high38 Ų3826.4 Ų26.418%0.17814%0.136CC..Hα-helixtrans-68.5-51179.8-163.863.5-168.300112W195 L196 N201 K236 K296W195-E199 HydrophobicContact CE3-CB 4.25Å; W195-E199 HydrophobicContact CH2-CB 4.11Å; W195-E199 HydrophobicContact CH2-CG 3.87Å; W195-E199 HydrophobicContact CZ2-CG 4.49Å; W195-E199 HydrophobicContact CZ3-CB 3.92Å; W195-E199 HydrophobicContact CZ3-CG 4.13Å; W195-E199 WeakPolarHBondContact O-CB 2.95Å; W195-E199 PolarHBondContact O-N 3.02Å; L196-E199 PolarHBondContact O-N 2.92Å; L196-E199 VanDerWaalsContact O-N 3.17Å; E199-N201 PolarHBondContact O-N 3.47Å; E199-K236 IonicContact OE2-NZ 3.43Å; E199-K236 PolarHBondContact OE2-NZ 3.05Å; E199-K296 IonicContact OE2-NZ 2.93Å; E199-K296 PolarHBondContact OE2-NZ 2.83Å
200Y91.9Very high94.4Very high48 Ų4829.6 Ų29.619%0.18815%0.153CC..THydrogen-bonded Turntrans-101.434.6-176.4-54.8-84.3000112.1L163 I174 W195 L196 E202 E203L163-Y200 HydrophobicContact CB-CE2 4.5Å; L163-Y200 PolarHBondContact O-OH 3.27Å; I174-Y200 VanDerWaalsContact CD1-CB 3.42Å; I174-Y200 HydrophobicContact CD1-CD1 4.28Å; I174-Y200 HydrophobicContact CD1-CD2 4.17Å; I174-Y200 HydrophobicContact CD1-CG 3.72Å; W195-Y200 HydrophobicContact CZ3-CE2 4.39Å; L196-Y200 HydrophobicContact CD2-CD2 3.92Å; L196-Y200 HydrophobicContact CD2-CE2 3.63Å; L196-Y200 WeakPolarHBondContact O-CD2 3.28Å; L196-Y200 PolarHBondContact O-N 2.68Å; Y200-E202 PolarHBondContact O-N 3.45Å; Y200-E203 WeakPolarHBondContact O-CB 3.31Å; Y200-E203 PolarHBondContact O-N 3.36Å
201N92.3Very high94.5Very high4 Ų428.9 Ų28.92%0.02115%0.15CC..G310 helixtrans-58.4-22.5-178.463.880.7000113.2V197 G198 E199 E203 V204 A208 L237 K240 F293V197-N201 WeakPolarHBondContact O-CA 3.13Å; V197-N201 VanDerWaalsContact O-CB 3.24Å; V197-N201 WeakPolarHBondContact O-CB 3.46Å; V197-N201 PolarHBondContact O-N 3.03Å; V197-N201 VanDerWaalsContact O-N 3.08Å; G198-N201 PolarHBondContact O-ND2 3.18Å; E199-N201 PolarHBondContact O-N 3.47Å; N201-E203 PolarHBondContact O-N 3.19Å; N201-V204 CarbonylContact O-C 3.59Å; N201-V204 VanDerWaalsContact O-C 3.29Å; N201-V204 PolarHBondContact O-N 2.76Å; N201-V204 VanDerWaalsContact O-N 3.15Å; N201-A208 HydrophobicContact CB-CB 4.47Å; N201-L237 HydrophobicContact CB-CD2 3.99Å; N201-K240 WeakPolarHBondContact OD1-CG 3.42Å; N201-F293 WeakPolarHBondContact ND2-CE1 3.19Å
202E90.8Very high94.5Very high115 Ų11528.4 Ų28.454%0.53715%0.146SC..G310 helixtrans-65.1-29.5175.7-48.4-163.6175.300112.4Y200 V204 P205 K240Y200-E202 PolarHBondContact O-N 3.45Å; E202-V204 VanDerWaalsContact C-N 3.32Å; E202-P205 WeakPolarHBondContact O-CD 3.35Å; E202-K240 IonicContact OE1-NZ 3.09Å; E202-K240 PolarHBondContact OE1-NZ 2.99Å; E202-K240 IonicContact OE2-NZ 2.64Å
203E90.8Very high94.6Very high32 Ų3232 Ų3215%0.1516%0.158CC..G310 helixtrans-77.3-20.1175.6-62.8-50.8135.100112.5H169 R171 I174 Y200 N201H169-E203 IonicContact CE1-OE1 2.79Å; H169-E203 PolarHBondContact CE1-OE1 2.78Å; H169-E203 IonicContact CG-OE1 2.66Å; H169-E203 IonicContact ND1-OE1 3.69Å; H169-E203 PolarHBondContact ND1-OE1 3.22Å; R171-E203 HydrophobicContact CB-CB 4.36Å; R171-E203 WeakPolarHBondContact CB-OE2 3.39Å; R171-E203 HydrophobicContact CG-CB 4.25Å; R171-E203 PolarHBondContact NH1-O 3.42Å; I174-E203 HydrophobicContact CD1-CB 3.99Å; I174-E203 HydrophobicContact CD1-CG 3.9Å; Y200-E203 WeakPolarHBondContact O-CB 3.31Å; Y200-E203 PolarHBondContact O-N 3.36Å; N201-E203 PolarHBondContact O-N 3.19Å
204V93.2Very high94.6Very high4 Ų435.3 Ų35.32%0.02417%0.173CC..  trans-136.752.7-173.5-740000112.7I174 V175 V197 N201 E202 L206 L207 A208I174-V204 HydrophobicContact CG2-CG1 3.88Å; I174-V204 HydrophobicContact CG2-CG2 3.87Å; V175-V204 HydrophobicContact CG2-CG1 3.55Å; V197-V204 HydrophobicContact CG1-CG2 4.31Å; N201-V204 CarbonylContact O-C 3.59Å; N201-V204 VanDerWaalsContact O-C 3.29Å; N201-V204 PolarHBondContact O-N 2.76Å; N201-V204 VanDerWaalsContact O-N 3.15Å; E202-V204 VanDerWaalsContact C-N 3.32Å; V204-L206 PolarHBondContact O-N 2.92Å; V204-L206 VanDerWaalsContact O-N 3.15Å; V204-L207 HydrophobicContact CB-CB 4.22Å; V204-L207 PolarHBondContact O-N 2.79Å; V204-A208 HydrophobicContact CG2-CB 4.14Å; V204-A208 VanDerWaalsContact O-CB 3.27Å; V204-A208 WeakPolarHBondContact O-CB 3.49Å; V204-A208 PolarHBondContact O-N 3.3Å
205P92Very high94.6Very high68 Ų6835.3 Ų35.344%0.44217%0.173SC..THydrogen-bonded Turntrans-67-22.4-17127.7-36.5000114E202 P209E202-P205 WeakPolarHBondContact O-CD 3.35Å; P205-P209 VanDerWaalsContact O-CD 3.31Å; P205-P209 WeakPolarHBondContact O-CD 3.35Å
206L92.1Very high94.7Very high127 Ų12734.4 Ų34.467%0.66517%0.17SC*.THydrogen-bonded Turntrans-88.5-40.8175.3-61.4179.7000111.8V204V204-L206 PolarHBondContact O-N 2.92Å; V204-L206 VanDerWaalsContact O-N 3.15Å
207L94.5Very high94.8Very high42 Ų4243.1 Ų43.122%0.2220%0.203CC..Hα-helixtrans-81.4-32.3-173.9-175.261.5000112.5V175 A178 K179 V204 D210 V211V175-L207 HydrophobicContact CG1-CD2 4.29Å; A178-L207 HydrophobicContact CB-CD2 3.41Å; A178-L207 VanDerWaalsContact CB-CD2 3.41Å; A178-L207 HydrophobicContact CB-CG 3.93Å; K179-L207 HydrophobicContact CG-CD2 4.41Å; V204-L207 HydrophobicContact CB-CB 4.22Å; V204-L207 PolarHBondContact O-N 2.79Å; L207-D210 WeakPolarHBondContact O-CA 3.3Å; L207-D210 WeakPolarHBondContact O-CB 3.45Å; L207-D210 PolarHBondContact O-N 3.44Å; L207-V211 HydrophobicContact CG-CG2 4.23Å; L207-V211 WeakPolarHBondContact O-CG2 3.49Å; L207-V211 PolarHBondContact O-N 2.94Å
208A96.5Very high94.8Very high0 Ų045.7 Ų45.70%022%0.219CC..Hα-helixtrans-61.4-44.2-178.600000113.7V197 N201 V204 D210 V211 L212 L237V197-A208 HydrophobicContact CG1-CB 3.42Å; V197-A208 VanDerWaalsContact CG1-CB 3.42Å; N201-A208 HydrophobicContact CB-CB 4.47Å; V204-A208 HydrophobicContact CG2-CB 4.14Å; V204-A208 VanDerWaalsContact O-CB 3.27Å; V204-A208 WeakPolarHBondContact O-CB 3.49Å; V204-A208 PolarHBondContact O-N 3.3Å; A208-D210 VanDerWaalsContact C-N 3.27Å; A208-D210 PolarHBondContact O-N 2.96Å; A208-V211 PolarHBondContact O-N 3.43Å; A208-L212 PolarHBondContact O-N 2.79Å; A208-L237 HydrophobicContact CB-CD1 4.25Å; A208-L237 HydrophobicContact CB-CD2 3.77Å
209P96.7Very high95Very high14 Ų1445.7 Ų45.79%0.09122%0.218CC..Hα-helixtrans-57.8-37.1169.9-26.636000113.7P205 L212 R213 T245P205-P209 VanDerWaalsContact O-CD 3.31Å; P205-P209 WeakPolarHBondContact O-CD 3.35Å; P209-L212 PolarHBondContact O-N 3.22Å; P209-R213 WeakPolarHBondContact O-CB 3.17Å; P209-R213 PolarHBondContact O-N 2.96Å; P209-T245 HydrophobicContact CB-CG2 3.93Å; P209-T245 HydrophobicContact CG-CG2 3.9Å
210D96.4Very high95.2Very high67 Ų6746.9 Ų46.936%0.35824%0.235SC..Hα-helixtrans-70.3-39.1177.5-91.2-39.1000113L207 A208 L212 R213 K214L207-D210 WeakPolarHBondContact O-CA 3.3Å; L207-D210 WeakPolarHBondContact O-CB 3.45Å; L207-D210 PolarHBondContact O-N 3.44Å; A208-D210 VanDerWaalsContact C-N 3.27Å; A208-D210 PolarHBondContact O-N 2.96Å; D210-L212 VanDerWaalsContact C-N 3.33Å; D210-R213 WeakPolarHBondContact O-CB 3.39Å; D210-R213 PolarHBondContact O-N 3.03Å; D210-R213 IonicContact OD1-CZ 3.03Å; D210-R213 IonicContact OD1-NE 2.61Å; D210-R213 PolarHBondContact OD1-NE 2.87Å; D210-R213 IonicContact OD1-NH2 2.79Å; D210-R213 PolarHBondContact OD1-NH2 2.79Å; D210-K214 WeakPolarHBondContact O-CG 3.28Å; D210-K214 PolarHBondContact O-N 2.84Å
211V97.7Very high95.4Very high1 Ų151.6 Ų51.61%0.00626%0.258CS..Hα-helixtrans-59.3-46.6171.7171.50000110A178 I181 L194 V197 L207 A208 R213 K214 V215 L233A178-V211 HydrophobicContact CB-CG2 3.88Å; I181-V211 HydrophobicContact CG1-CG1 4.31Å; L194-V211 HydrophobicContact CD2-CG1 3.55Å; V197-V211 HydrophobicContact CG1-CB 4.47Å; L207-V211 HydrophobicContact CG-CG2 4.23Å; L207-V211 WeakPolarHBondContact O-CG2 3.49Å; L207-V211 PolarHBondContact O-N 2.94Å; A208-V211 PolarHBondContact O-N 3.43Å; V211-R213 VanDerWaalsContact C-N 3.34Å; V211-R213 PolarHBondContact O-N 2.78Å; V211-K214 PolarHBondContact O-N 2.93Å; V211-V215 PolarHBondContact O-N 2.8Å; V211-L233 HydrophobicContact CG1-CD2 4.29Å
212L98Very high95.6Very high0 Ų052.5 Ų52.50%026%0.262CS..Hα-helixtrans-61.1-43.7175.8-17865.2000111.5A208 P209 D210 K214 V215 A216 L233 A234 L237 L248 V252A208-L212 PolarHBondContact O-N 2.79Å; P209-L212 PolarHBondContact O-N 3.22Å; D210-L212 VanDerWaalsContact C-N 3.33Å; L212-K214 VanDerWaalsContact C-N 3.31Å; L212-K214 PolarHBondContact O-N 3.29Å; L212-V215 PolarHBondContact O-N 3.49Å; L212-A216 WeakPolarHBondContact O-CB 3.27Å; L212-A216 PolarHBondContact O-N 3.04Å; L212-L233 HydrophobicContact CB-CD2 4.06Å; L212-L233 HydrophobicContact CB-CG 4.42Å; L212-L233 HydrophobicContact CD1-CB 4.5Å; L212-L233 HydrophobicContact CD1-CD2 4.2Å; L212-L233 HydrophobicContact CD1-CG 4.25Å; L212-A234 HydrophobicContact CD1-CB 4.08Å; L212-A234 HydrophobicContact CD2-CB 4Å; L212-L237 HydrophobicContact CB-CD1 4.03Å; L212-L237 HydrophobicContact CD2-CD1 4.01Å; L212-L248 HydrophobicContact CD2-CB 4.25Å; L212-V252 HydrophobicContact CD1-CG2 4.1Å
213R97.4Very high96Very high84 Ų8452.6 Ų52.632%0.31726%0.263SS..Hα-helixtrans-59.9-40.7177.6-178.5-175.561.878.5-3.3111.9P209 D210 V211 L248P209-R213 WeakPolarHBondContact O-CB 3.17Å; P209-R213 PolarHBondContact O-N 2.96Å; D210-R213 WeakPolarHBondContact O-CB 3.39Å; D210-R213 PolarHBondContact O-N 3.03Å; D210-R213 IonicContact OD1-CZ 3.03Å; D210-R213 IonicContact OD1-NE 2.61Å; D210-R213 PolarHBondContact OD1-NE 2.87Å; D210-R213 IonicContact OD1-NH2 2.79Å; D210-R213 PolarHBondContact OD1-NH2 2.79Å; V211-R213 VanDerWaalsContact C-N 3.34Å; V211-R213 PolarHBondContact O-N 2.78Å; R213-L248 HydrophobicContact CB-CD1 4.32Å; R213-L248 HydrophobicContact CB-CD2 4.29Å; R213-L248 HydrophobicContact CG-CD2 4.33Å
214K96.7Very high96.3Very high70 Ų7054 Ų5430%0.30427%0.269SS..Hα-helixtrans-64-52176.7-74.4174.8170.5-165.90111.2I181 D182 D210 V211 L212 A216 R217I181-K214 HydrophobicContact CG2-CD 4.23Å; D182-K214 WeakPolarHBondContact OD2-CD 3.37Å; D182-K214 WeakPolarHBondContact OD2-CE 3.27Å; D182-K214 IonicContact OD2-NZ 2.83Å; D182-K214 PolarHBondContact OD2-NZ 2.68Å; D210-K214 WeakPolarHBondContact O-CG 3.28Å; D210-K214 PolarHBondContact O-N 2.84Å; V211-K214 PolarHBondContact O-N 2.93Å; L212-K214 VanDerWaalsContact C-N 3.31Å; L212-K214 PolarHBondContact O-N 3.29Å; K214-A216 VanDerWaalsContact C-N 3.31Å; K214-A216 PolarHBondContact O-N 3.42Å; K214-R217 WeakPolarHBondContact O-CB 3.46Å; K214-R217 PolarHBondContact O-N 2.79Å; K214-R217 VanDerWaalsContact O-N 3.16Å
215V97.5Very high96.4Very high1 Ų155.6 Ų55.61%0.00628%0.279CS..Hα-helixtrans-66.6-31.4179.21770000112.6I181 L194 V211 L212 R217 T218 F219 E222 A230I181-V215 HydrophobicContact CD1-CG2 4.29Å; I181-V215 HydrophobicContact CG1-CG2 3.91Å; L194-V215 HydrophobicContact CD1-CG1 4.15Å; L194-V215 HydrophobicContact CD1-CG2 4.26Å; L194-V215 HydrophobicContact CD2-CG2 3.87Å; V211-V215 PolarHBondContact O-N 2.8Å; L212-V215 PolarHBondContact O-N 3.49Å; V215-R217 PolarHBondContact O-N 3.38Å; V215-T218 CarbonylContact O-C 3.6Å; V215-T218 PolarHBondContact O-N 3.49Å; V215-T218 PolarHBondContact O-OG1 3.16Å; V215-F219 WeakPolarHBondContact O-CA 3.5Å; V215-F219 WeakPolarHBondContact O-CB 3.34Å; V215-F219 PolarHBondContact O-N 2.61Å; V215-E222 HydrophobicContact CG1-CG 4.34Å; V215-A230 HydrophobicContact CG1-CB 3.77Å
216A97.5Very high96.7Very high4 Ų452.4 Ų52.43%0.03326%0.258CS..Hα-helixtrans-60.7-30.1175.400000112.8L212 K214 Y251 V252L212-A216 WeakPolarHBondContact O-CB 3.27Å; L212-A216 PolarHBondContact O-N 3.04Å; K214-A216 VanDerWaalsContact C-N 3.31Å; K214-A216 PolarHBondContact O-N 3.42Å; A216-Y251 HydrophobicContact CB-CD1 4.07Å; A216-Y251 HydrophobicContact CB-CE1 4.15Å; A216-V252 HydrophobicContact CB-CG2 3.67Å
217R97Very high97Very high183 Ų18347.3 Ų47.369%0.69123%0.231SC*.Hα-helixtrans-70.4-36.5176.7-68.3177.9176.9-164.5-2.7112.4K214 V215K214-R217 WeakPolarHBondContact O-CB 3.46Å; K214-R217 PolarHBondContact O-N 2.79Å; K214-R217 VanDerWaalsContact O-N 3.16Å; V215-R217 PolarHBondContact O-N 3.38Å
218T96.2Very high97.2Very high55 Ų5548 Ų4834%0.33723%0.234SC..Hα-helixtrans-99.12.5-178.656.60000113.2V215 A220 Q221 E222V215-T218 CarbonylContact O-C 3.6Å; V215-T218 PolarHBondContact O-N 3.49Å; V215-T218 PolarHBondContact O-OG1 3.16Å; T218-A220 PolarHBondContact O-N 2.92Å; T218-Q221 VanDerWaalsContact CA-OE1 3.31Å; T218-Q221 WeakPolarHBondContact O-CA 3.28Å; T218-Q221 PolarHBondContact O-N 3.26Å; T218-Q221 PolarHBondContact O-OE1 3.42Å; T218-E222 WeakPolarHBondContact CB-OE1 3.09Å; T218-E222 WeakPolarHBondContact O-CG 3.37Å; T218-E222 PolarHBondContact O-N 3.28Å; T218-E222 PolarHBondContact OG1-OE1 2.99Å
219F98.2Very high97.2Very high2 Ų250.1 Ų50.11%0.00924%0.244CC..THydrogen-bonded Turntrans-51.3-39.7-169-179.2-86000113.2V215 Q221 E222 K227 A230 V231 V252 L255 A256 I264V215-F219 WeakPolarHBondContact O-CA 3.5Å; V215-F219 WeakPolarHBondContact O-CB 3.34Å; V215-F219 PolarHBondContact O-N 2.61Å; F219-Q221 VanDerWaalsContact C-N 3.3Å; F219-Q221 PolarHBondContact O-N 3.1Å; F219-E222 PolarHBondContact O-N 3.34Å; F219-K227 HydrophobicContact CD2-CG 4.36Å; F219-K227 HydrophobicContact CE1-CD 4.28Å; F219-K227 HydrophobicContact CE1-CG 4.18Å; F219-K227 HydrophobicContact CE2-CB 3.89Å; F219-K227 HydrophobicContact CE2-CG 4.01Å; F219-K227 HydrophobicContact CZ-CB 3.83Å; F219-K227 HydrophobicContact CZ-CD 4.36Å; F219-K227 HydrophobicContact CZ-CG 3.9Å; F219-K227 WeakPolarHBondContact O-CE 3.48Å; F219-A230 HydrophobicContact CD2-CB 4.04Å; F219-A230 HydrophobicContact CE2-CB 4.04Å; F219-V231 HydrophobicContact CE2-CG2 3.96Å; F219-V231 HydrophobicContact CZ-CG2 4.02Å; F219-V252 HydrophobicContact CD2-CG1 4.16Å; F219-V252 HydrophobicContact CE2-CG1 3.96Å; F219-L255 HydrophobicContact CB-CD1 3.77Å; F219-L255 HydrophobicContact CD1-CB 3.62Å; F219-L255 HydrophobicContact CD1-CD1 4.07Å; F219-L255 HydrophobicContact CE1-CB 3.93Å; F219-L255 HydrophobicContact CG-CB 4.33Å; F219-L255 HydrophobicContact CG-CD1 4.07Å; F219-A256 HydrophobicContact CE1-CB 4.23Å; F219-A256 HydrophobicContact CZ-CB 3.87Å; F219-I264 HydrophobicContact CZ-CG2 4.37Å
220A96.2Very high97.3Very high64 Ų6449.5 Ų49.553%0.52924%0.24SC..THydrogen-bonded Turntrans-66-32.7-179.100000112.9T218 K227T218-A220 PolarHBondContact O-N 2.92Å; A220-K227 PolarHBondContact O-NZ 3.23Å
221Q95.9Very high97.4Very high147 Ų14746.5 Ų46.569%0.68722%0.224SC*.THydrogen-bonded Turntrans-85.9-14.9-179.7-61.577.421.800113.2T218 F219T218-Q221 VanDerWaalsContact CA-OE1 3.31Å; T218-Q221 WeakPolarHBondContact O-CA 3.28Å; T218-Q221 PolarHBondContact O-N 3.26Å; T218-Q221 PolarHBondContact O-OE1 3.42Å; F219-Q221 VanDerWaalsContact C-N 3.3Å; F219-Q221 PolarHBondContact O-N 3.1Å
222E97Very high97.3Very high22 Ų2247.4 Ų47.410%0.10323%0.229CC..SBendtrans-67.9151.7179.7-64.7-59.8160.100112.6R190 V215 T218 F219 V226 K227R190-E222 IonicContact CZ-OE1 3.81Å; R190-E222 IonicContact CZ-OE2 3.67Å; R190-E222 IonicContact NE-OE1 3.89Å; R190-E222 IonicContact NE-OE2 3.97Å; R190-E222 PolarHBondContact NE-OE2 3.05Å; R190-E222 IonicContact NH2-OE1 2.68Å; R190-E222 PolarHBondContact NH2-OE1 3.44Å; R190-E222 IonicContact NH2-OE2 2.68Å; R190-E222 PolarHBondContact NH2-OE2 3.4Å; V215-E222 HydrophobicContact CG1-CG 4.34Å; T218-E222 WeakPolarHBondContact CB-OE1 3.09Å; T218-E222 WeakPolarHBondContact O-CG 3.37Å; T218-E222 PolarHBondContact O-N 3.28Å; T218-E222 PolarHBondContact OG1-OE1 2.99Å; F219-E222 PolarHBondContact O-N 3.34Å; E222-V226 HydrophobicContact CB-CB 4.08Å; E222-V226 HydrophobicContact CB-CG1 4.2Å; E222-V226 HydrophobicContact CG-CB 4.48Å; E222-V226 HydrophobicContact CG-CG1 4.04Å; E222-V226 WeakPolarHBondContact OE2-CG1 3.4Å; E222-K227 HydrophobicContact CB-CG 3.89Å; E222-K227 WeakPolarHBondContact O-CE 3.16Å; E222-K227 PolarHBondContact O-NZ 3.07Å
223E97.4Very high97.3Very high117 Ų11747.5 Ų47.555%0.54723%0.23SC..  trans-68.5156.1169.1-72.3-62.9160.700112P187 V225 V226 K227P187-E223 HydrophobicContact CB-CB 3.86Å; P187-E223 HydrophobicContact CB-CG 3.96Å; P187-E223 HydrophobicContact CG-CB 4.06Å; P187-E223 HydrophobicContact CG-CG 3.56Å; E223-V225 VanDerWaalsContact C-N 3.3Å; E223-V225 HydrophobicContact CB-CG2 4.46Å; E223-V225 PolarHBondContact O-N 2.97Å; E223-V226 WeakPolarHBondContact O-CB 3.42Å; E223-V226 PolarHBondContact O-N 3.48Å; E223-K227 PolarHBondContact O-N 3.24Å
224E97.3Very high97.2Very high62 Ų6243.5 Ų43.529%0.2921%0.214SC..Hα-helixtrans-54.9-41.9-173.9176159.6-141.200113.5V226 K227 L228 S261 D263 I264E224-V226 VanDerWaalsContact C-N 3.27Å; E224-V226 PolarHBondContact O-N 3.45Å; E224-K227 PolarHBondContact O-N 3.44Å; E224-L228 HydrophobicContact CG-CD1 4.09Å; E224-L228 HydrophobicContact CG-CG 4.46Å; E224-L228 WeakPolarHBondContact O-CB 3.15Å; E224-L228 WeakPolarHBondContact O-CG 3.47Å; E224-L228 PolarHBondContact O-N 3.26Å; E224-S261 WeakPolarHBondContact OE1-CB 3.13Å; E224-S261 PolarHBondContact OE1-OG 3.24Å; E224-D263 WeakPolarHBondContact OE1-CB 3.23Å; E224-I264 HydrophobicContact CB-CD1 4.21Å; E224-I264 HydrophobicContact CG-CD1 3.86Å; E224-I264 HydrophobicContact CG-CG1 4.19Å
225V96.2Very high97.2Very high37 Ų3740.1 Ų40.122%0.22420%0.2CC..Hα-helixtrans-61.9-33.9177.9-63.90000112.7P187 A191 E223 Q229P187-V225 HydrophobicContact CB-CG2 3.98Å; A191-V225 HydrophobicContact CB-CB 4.45Å; A191-V225 HydrophobicContact CB-CG2 4.35Å; E223-V225 VanDerWaalsContact C-N 3.3Å; E223-V225 HydrophobicContact CB-CG2 4.46Å; E223-V225 PolarHBondContact O-N 2.97Å; V225-Q229 WeakPolarHBondContact O-CG 3.14Å; V225-Q229 PolarHBondContact O-N 2.95Å
226V98.2Very high97.1Very high1 Ų140.2 Ų40.21%0.00620%0.2CC..Hα-helixtrans-77.1-43.9178-174.80000109.9P187 R190 A191 L194 E222 E223 E224 L228 Q229 A230P187-V226 HydrophobicContact CB-CG2 4.08Å; P187-V226 VanDerWaalsContact O-CG2 3.3Å; P187-V226 WeakPolarHBondContact O-CG2 3.42Å; R190-V226 HydrophobicContact CB-CG1 4.23Å; R190-V226 HydrophobicContact CB-CG2 3.88Å; A191-V226 HydrophobicContact CB-CG2 4.29Å; L194-V226 HydrophobicContact CD1-CG1 3.64Å; E222-V226 HydrophobicContact CB-CB 4.08Å; E222-V226 HydrophobicContact CB-CG1 4.2Å; E222-V226 HydrophobicContact CG-CB 4.48Å; E222-V226 HydrophobicContact CG-CG1 4.04Å; E222-V226 WeakPolarHBondContact OE2-CG1 3.4Å; E223-V226 WeakPolarHBondContact O-CB 3.42Å; E223-V226 PolarHBondContact O-N 3.48Å; E224-V226 VanDerWaalsContact C-N 3.27Å; E224-V226 PolarHBondContact O-N 3.45Å; V226-L228 VanDerWaalsContact C-N 3.3Å; V226-L228 PolarHBondContact O-N 3.24Å; V226-Q229 CarbonylContact O-C 3.59Å; V226-Q229 PolarHBondContact O-N 3.33Å; V226-Q229 VanDerWaalsContact O-N 3.1Å; V226-A230 WeakPolarHBondContact O-CB 3.35Å; V226-A230 PolarHBondContact O-N 3.22Å
227K98.5Very high97Very high21 Ų2140.1 Ų40.19%0.09120%0.199CC..Hα-helixtrans-55.7-44.4174.8-71.2176.4171.4167.50112F219 A220 E222 E223 E224 Q229 A230 V231 D259 I264F219-K227 HydrophobicContact CD2-CG 4.36Å; F219-K227 HydrophobicContact CE1-CD 4.28Å; F219-K227 HydrophobicContact CE1-CG 4.18Å; F219-K227 HydrophobicContact CE2-CB 3.89Å; F219-K227 HydrophobicContact CE2-CG 4.01Å; F219-K227 HydrophobicContact CZ-CB 3.83Å; F219-K227 HydrophobicContact CZ-CD 4.36Å; F219-K227 HydrophobicContact CZ-CG 3.9Å; F219-K227 WeakPolarHBondContact O-CE 3.48Å; A220-K227 PolarHBondContact O-NZ 3.23Å; E222-K227 HydrophobicContact CB-CG 3.89Å; E222-K227 WeakPolarHBondContact O-CE 3.16Å; E222-K227 PolarHBondContact O-NZ 3.07Å; E223-K227 PolarHBondContact O-N 3.24Å; E224-K227 PolarHBondContact O-N 3.44Å; K227-Q229 VanDerWaalsContact C-N 3.35Å; K227-Q229 PolarHBondContact O-N 2.98Å; K227-A230 PolarHBondContact O-N 2.72Å; K227-V231 WeakPolarHBondContact O-CG2 3.49Å; K227-V231 PolarHBondContact O-N 3.49Å; K227-D259 WeakPolarHBondContact CD-OD2 3.49Å; K227-D259 WeakPolarHBondContact CE-OD2 3.49Å; K227-D259 IonicContact NZ-OD1 3.08Å; K227-D259 IonicContact NZ-OD2 3.01Å; K227-D259 PolarHBondContact NZ-OD2 2.87Å; K227-I264 HydrophobicContact CB-CD1 3.73Å; K227-I264 HydrophobicContact CB-CG1 4.35Å; K227-I264 HydrophobicContact CD-CD1 3.39Å; K227-I264 HydrophobicContact CG-CD1 4.2Å
228L97.6Very high96.8Very high55 Ų5533 Ų3329%0.28817%0.174SC..Hα-helixtrans-61.3-41.3176.6-73.9170.2000112.1E224 V226 N232 I264 R267E224-L228 HydrophobicContact CG-CD1 4.09Å; E224-L228 HydrophobicContact CG-CG 4.46Å; E224-L228 WeakPolarHBondContact O-CB 3.15Å; E224-L228 WeakPolarHBondContact O-CG 3.47Å; E224-L228 PolarHBondContact O-N 3.26Å; V226-L228 VanDerWaalsContact C-N 3.3Å; V226-L228 PolarHBondContact O-N 3.24Å; L228-N232 WeakPolarHBondContact O-CB 3.28Å; L228-N232 PolarHBondContact O-N 2.95Å; L228-I264 HydrophobicContact CD2-CG1 4.32Å; L228-I264 HydrophobicContact CG-CG1 4.41Å; L228-R267 HydrophobicContact CD2-CB 4.32Å; L228-R267 HydrophobicContact CD2-CG 4.16Å
229Q97.5Very high96.6Very high46 Ų4631.1 Ų31.122%0.21516%0.163CC..Hα-helixtrans-74.2-32.5176-64.1-54.7-27.400113.1A191 L194 V225 V226 K227 N232 L233A191-Q229 HydrophobicContact CB-CG 3.94Å; L194-Q229 HydrophobicContact CB-CB 3.84Å; L194-Q229 HydrophobicContact CD1-CB 4.29Å; V225-Q229 WeakPolarHBondContact O-CG 3.14Å; V225-Q229 PolarHBondContact O-N 2.95Å; V226-Q229 CarbonylContact O-C 3.59Å; V226-Q229 PolarHBondContact O-N 3.33Å; V226-Q229 VanDerWaalsContact O-N 3.1Å; K227-Q229 VanDerWaalsContact C-N 3.35Å; K227-Q229 PolarHBondContact O-N 2.98Å; Q229-N232 PolarHBondContact O-N 3.31Å; Q229-N232 PolarHBondContact OE1-ND2 3.09Å; Q229-L233 WeakPolarHBondContact O-CB 3.41Å; Q229-L233 PolarHBondContact O-N 3.18Å
230A98.4Very high96.2Very high1 Ų135.8 Ų35.81%0.00818%0.183CC..Hα-helixtrans-63.4-44.6173.600000111.4L194 V215 F219 V226 K227 N232 L233 A234L194-A230 HydrophobicContact CD1-CB 4.17Å; V215-A230 HydrophobicContact CG1-CB 3.77Å; F219-A230 HydrophobicContact CD2-CB 4.04Å; F219-A230 HydrophobicContact CE2-CB 4.04Å; V226-A230 WeakPolarHBondContact O-CB 3.35Å; V226-A230 PolarHBondContact O-N 3.22Å; K227-A230 PolarHBondContact O-N 2.72Å; A230-N232 VanDerWaalsContact C-N 3.34Å; A230-N232 PolarHBondContact O-N 2.93Å; A230-L233 PolarHBondContact O-N 3.46Å; A230-A234 WeakPolarHBondContact O-CB 3.44Å; A230-A234 PolarHBondContact O-N 2.85Å
231V97.9Very high95.9Very high3 Ų334.3 Ų34.32%0.01817%0.168CC..Hα-helixtrans-62.6-41.1173.8169.20000111.1F219 K227 A234 V235 V252 L253 A256 R267 L271F219-V231 HydrophobicContact CE2-CG2 3.96Å; F219-V231 HydrophobicContact CZ-CG2 4.02Å; K227-V231 WeakPolarHBondContact O-CG2 3.49Å; K227-V231 PolarHBondContact O-N 3.49Å; V231-A234 WeakPolarHBondContact O-CB 3.19Å; V231-A234 PolarHBondContact O-N 3.17Å; V231-V235 WeakPolarHBondContact O-CG2 3.31Å; V231-V235 PolarHBondContact O-N 3.01Å; V231-V235 VanDerWaalsContact O-N 3.17Å; V231-V252 HydrophobicContact CG2-CG1 4.03Å; V231-L253 HydrophobicContact CG1-CD2 3.96Å; V231-A256 HydrophobicContact CG2-CB 3.84Å; V231-R267 HydrophobicContact CG1-CG 4.48Å; V231-L271 HydrophobicContact CG1-CD1 3.14Å
232N96.1Very high95.5Very high21 Ų2130.3 Ų30.311%0.11216%0.155CC..Hα-helixtrans-64-45.4176.2-166.59.7000111.9L228 Q229 A230 A234 V235 K236 F292L228-N232 WeakPolarHBondContact O-CB 3.28Å; L228-N232 PolarHBondContact O-N 2.95Å; Q229-N232 PolarHBondContact O-N 3.31Å; Q229-N232 PolarHBondContact OE1-ND2 3.09Å; A230-N232 VanDerWaalsContact C-N 3.34Å; A230-N232 PolarHBondContact O-N 2.93Å; N232-A234 PolarHBondContact O-N 3.49Å; N232-V235 PolarHBondContact O-N 3.24Å; N232-K236 WeakPolarHBondContact O-CG 3.43Å; N232-K236 PolarHBondContact O-N 3.06Å; N232-F292 WeakPolarHBondContact OD1-CD1 3.27Å
233L97.5Very high95.2Very high1 Ų134.1 Ų34.11%0.00519%0.19CC..Hα-helixtrans-59.5-45175.4176.262.1000111.3L194 V197 G198 V211 L212 Q229 A230 V235 K236 L237L194-L233 HydrophobicContact CD2-CD2 3.8Å; V197-L233 HydrophobicContact CG1-CD1 4.05Å; V197-L233 HydrophobicContact CG1-CD2 4.45Å; G198-L233 VanDerWaalsContact CA-CD1 3.47Å; V211-L233 HydrophobicContact CG1-CD2 4.29Å; L212-L233 HydrophobicContact CB-CD2 4.06Å; L212-L233 HydrophobicContact CB-CG 4.42Å; L212-L233 HydrophobicContact CD1-CB 4.5Å; L212-L233 HydrophobicContact CD1-CD2 4.2Å; L212-L233 HydrophobicContact CD1-CG 4.25Å; Q229-L233 WeakPolarHBondContact O-CB 3.41Å; Q229-L233 PolarHBondContact O-N 3.18Å; A230-L233 PolarHBondContact O-N 3.46Å; L233-V235 VanDerWaalsContact C-N 3.32Å; L233-V235 PolarHBondContact O-N 3.5Å; L233-K236 PolarHBondContact O-N 3.08Å; L233-L237 HydrophobicContact CD1-CD1 3.79Å; L233-L237 HydrophobicContact CD1-CD2 4.46Å; L233-L237 HydrophobicContact CD1-CG 3.86Å; L233-L237 HydrophobicContact CG-CD1 3.93Å; L233-L237 HydrophobicContact CG-CG 4.34Å; L233-L237 WeakPolarHBondContact O-CB 3.45Å; L233-L237 WeakPolarHBondContact O-CG 3.47Å; L233-L237 PolarHBondContact O-N 3.04Å
234A97.2Very high94.8Very high0 Ų034.8 Ų34.80%019%0.191CC..Hα-helixtrans-54.5-47.717600000112.2L212 A230 V231 N232 L238 A249 V252L212-A234 HydrophobicContact CD1-CB 4.08Å; L212-A234 HydrophobicContact CD2-CB 4Å; A230-A234 WeakPolarHBondContact O-CB 3.44Å; A230-A234 PolarHBondContact O-N 2.85Å; V231-A234 WeakPolarHBondContact O-CB 3.19Å; V231-A234 PolarHBondContact O-N 3.17Å; N232-A234 PolarHBondContact O-N 3.49Å; A234-L238 WeakPolarHBondContact O-CB 3.38Å; A234-L238 PolarHBondContact O-N 3.24Å; A234-A249 HydrophobicContact CB-CB 4.09Å; A234-V252 HydrophobicContact CB-CB 4.23Å; A234-V252 HydrophobicContact CB-CG1 4.17Å
235V95.5Very high94.6Very high0 Ų031.8 Ų31.80%018%0.178CC..Hα-helixtrans-67.6-43.6179.11720000111.9V231 N232 L233 L237 L238 L239 L271 L275 F292V231-V235 WeakPolarHBondContact O-CG2 3.31Å; V231-V235 PolarHBondContact O-N 3.01Å; V231-V235 VanDerWaalsContact O-N 3.17Å; N232-V235 PolarHBondContact O-N 3.24Å; L233-V235 VanDerWaalsContact C-N 3.32Å; L233-V235 PolarHBondContact O-N 3.5Å; V235-L237 VanDerWaalsContact C-N 3.34Å; V235-L237 PolarHBondContact O-N 3.22Å; V235-L238 PolarHBondContact O-N 3.38Å; V235-L239 HydrophobicContact CG1-CD1 3.96Å; V235-L239 HydrophobicContact CG1-CG 4.44Å; V235-L239 WeakPolarHBondContact O-CB 3.34Å; V235-L239 VanDerWaalsContact O-CG 3.3Å; V235-L239 WeakPolarHBondContact O-CG 3.47Å; V235-L239 PolarHBondContact O-N 2.92Å; V235-L271 HydrophobicContact CG2-CB 4.29Å; V235-L271 HydrophobicContact CG2-CD1 3.99Å; V235-L271 HydrophobicContact CG2-CD2 4.24Å; V235-L271 HydrophobicContact CG2-CG 4.41Å; V235-L275 HydrophobicContact CB-CD1 4.2Å; V235-L275 HydrophobicContact CG1-CD1 3.67Å; V235-L275 HydrophobicContact CG1-CD2 4.2Å; V235-L275 HydrophobicContact CG1-CG 4.42Å; V235-L275 HydrophobicContact CG2-CD1 3.71Å; V235-F292 HydrophobicContact CB-CE1 4.45Å; V235-F292 HydrophobicContact CG1-CD1 4.15Å; V235-F292 HydrophobicContact CG1-CD2 3.72Å; V235-F292 HydrophobicContact CG1-CE1 3.94Å; V235-F292 HydrophobicContact CG1-CE2 3.5Å; V235-F292 HydrophobicContact CG1-CG 4.09Å; V235-F292 HydrophobicContact CG1-CZ 3.67Å
236K95.2Very high94.5Very high2 Ų235.4 Ų35.41%0.00919%0.192CC..Hα-helixtrans-59.5-45.1176.7-74.7-169.3175.2-134.40111.8G198 E199 N232 L233 L239 K240 F292 F293G198-K236 WeakPolarHBondContact O-CD 3.44Å; E199-K236 IonicContact OE2-NZ 3.43Å; E199-K236 PolarHBondContact OE2-NZ 3.05Å; N232-K236 WeakPolarHBondContact O-CG 3.43Å; N232-K236 PolarHBondContact O-N 3.06Å; L233-K236 PolarHBondContact O-N 3.08Å; K236-L239 PolarHBondContact O-N 3.4Å; K236-K240 PolarHBondContact O-N 2.73Å; K236-K240 VanDerWaalsContact O-N 3.08Å; K236-F292 WeakPolarHBondContact CE-O 3.44Å; K236-F292 HydrophobicContact CG-CB 4.08Å; K236-F292 HydrophobicContact CG-CD1 4.43Å; K236-F292 PolarHBondContact NZ-O 2.89Å; K236-F293 HydrophobicContact CB-CE1 4.13Å; K236-F293 HydrophobicContact CB-CZ 4.02Å; K236-F293 HydrophobicContact CD-CE1 4.06Å; K236-F293 HydrophobicContact CG-CE1 4.08Å; K236-F293 HydrophobicContact CG-CZ 4.23Å
237L95.9Very high94.3Very high2 Ų242.5 Ų42.51%0.0123%0.229CC..Hα-helixtrans-67.4-41.1177.9-68.8178.6000112.3N201 A208 L212 L233 V235 L239 K240 C241 T245N201-L237 HydrophobicContact CB-CD2 3.99Å; A208-L237 HydrophobicContact CB-CD1 4.25Å; A208-L237 HydrophobicContact CB-CD2 3.77Å; L212-L237 HydrophobicContact CB-CD1 4.03Å; L212-L237 HydrophobicContact CD2-CD1 4.01Å; L233-L237 HydrophobicContact CD1-CD1 3.79Å; L233-L237 HydrophobicContact CD1-CD2 4.46Å; L233-L237 HydrophobicContact CD1-CG 3.86Å; L233-L237 HydrophobicContact CG-CD1 3.93Å; L233-L237 HydrophobicContact CG-CG 4.34Å; L233-L237 WeakPolarHBondContact O-CB 3.45Å; L233-L237 WeakPolarHBondContact O-CG 3.47Å; L233-L237 PolarHBondContact O-N 3.04Å; V235-L237 VanDerWaalsContact C-N 3.34Å; V235-L237 PolarHBondContact O-N 3.22Å; L237-L239 VanDerWaalsContact C-N 3.26Å; L237-L239 PolarHBondContact O-N 3.13Å; L237-K240 PolarHBondContact O-N 3.44Å; L237-K240 VanDerWaalsContact O-N 3.16Å; L237-C241 CarbonylContact O-C 3.57Å; L237-C241 PolarHBondContact O-N 3.46Å; L237-C241 PolarHBondContact O-SG 2.64Å; L237-T245 VanDerWaalsContact C-OG1 3.23Å; L237-T245 HydrophobicContact CB-CG2 3.87Å; L237-T245 HydrophobicContact CD1-CG2 4.35Å; L237-T245 PolarHBondContact O-OG1 2.88Å
238L93.3Very high94.2Very high33 Ų3343.5 Ų43.517%0.17324%0.235CC..Hα-helixtrans-57.1-40.8173.9-178.957.9000112.1A234 V235 P242 T245 E246 A249 L275A234-L238 WeakPolarHBondContact O-CB 3.38Å; A234-L238 PolarHBondContact O-N 3.24Å; V235-L238 PolarHBondContact O-N 3.38Å; L238-P242 HydrophobicContact CD1-CB 4.16Å; L238-P242 WeakPolarHBondContact O-CB 3.49Å; L238-P242 WeakPolarHBondContact O-CD 3.4Å; L238-T245 WeakPolarHBondContact CA-OG1 3.17Å; L238-T245 PolarHBondContact N-OG1 3.49Å; L238-E246 HydrophobicContact CD1-CB 4.15Å; L238-E246 HydrophobicContact CD1-CG 4.41Å; L238-A249 HydrophobicContact CB-CB 4Å; L238-A249 HydrophobicContact CD2-CB 4.13Å; L238-A249 HydrophobicContact CG-CB 4.48Å; L238-L275 HydrophobicContact CD2-CD1 4.13Å
239L91.2Very high94.1Very high17 Ų1740.9 Ų40.99%0.08922%0.221CC..Hα-helixtrans-72.7-28.9179.2-71.6173.9000113.6V235 K236 L237 L275 A288 K289 F292 F293V235-L239 HydrophobicContact CG1-CD1 3.96Å; V235-L239 HydrophobicContact CG1-CG 4.44Å; V235-L239 WeakPolarHBondContact O-CB 3.34Å; V235-L239 VanDerWaalsContact O-CG 3.3Å; V235-L239 WeakPolarHBondContact O-CG 3.47Å; V235-L239 PolarHBondContact O-N 2.92Å; K236-L239 PolarHBondContact O-N 3.4Å; L237-L239 VanDerWaalsContact C-N 3.26Å; L237-L239 PolarHBondContact O-N 3.13Å; L239-L275 HydrophobicContact CD1-CD2 4.33Å; L239-L275 HydrophobicContact CD2-CD2 3.77Å; L239-L275 HydrophobicContact CG-CD2 4.19Å; L239-A288 HydrophobicContact CD1-CB 4.09Å; L239-A288 HydrophobicContact CD2-CB 4.06Å; L239-K289 HydrophobicContact CB-CG 4.2Å; L239-K289 HydrophobicContact CD2-CG 4.02Å; L239-K289 WeakPolarHBondContact O-CE 3.07Å; L239-K289 PolarHBondContact O-NZ 3.37Å; L239-K289 VanDerWaalsContact O-NZ 3.09Å; L239-F292 HydrophobicContact CD1-CB 4.25Å; L239-F292 HydrophobicContact CD1-CD2 3.64Å; L239-F292 HydrophobicContact CD1-CE2 4.45Å; L239-F292 HydrophobicContact CD1-CG 4.22Å; L239-F293 HydrophobicContact CB-CE2 4.16Å
240K90Very high93.9Very high99 Ų9941.8 Ų41.843%0.4323%0.228SC..Hα-helixtrans-89.8-48.1-179.1-168.879.5179.7-175.40112.8N201 E202 K236 L237 F293N201-K240 WeakPolarHBondContact OD1-CG 3.42Å; E202-K240 IonicContact OE1-NZ 3.09Å; E202-K240 PolarHBondContact OE1-NZ 2.99Å; E202-K240 IonicContact OE2-NZ 2.64Å; K236-K240 PolarHBondContact O-N 2.73Å; K236-K240 VanDerWaalsContact O-N 3.08Å; L237-K240 PolarHBondContact O-N 3.44Å; L237-K240 VanDerWaalsContact O-N 3.16Å; K240-F293 HydrophobicContact CB-CZ 4.5Å
241C89.7Confident93.9Very high33 Ų3347.3 Ų47.322%0.22325%0.249CC..  trans-136.761.9-171.253.80000112.8L237 A243 K244 T245L237-C241 CarbonylContact O-C 3.57Å; L237-C241 PolarHBondContact O-N 3.46Å; L237-C241 PolarHBondContact O-SG 2.64Å; C241-A243 VanDerWaalsContact C-N 3.28Å; C241-A243 PolarHBondContact O-N 3.01Å; C241-A243 VanDerWaalsContact O-N 3.16Å; C241-K244 PolarHBondContact O-N 2.85Å; C241-K244 VanDerWaalsContact O-N 3.12Å; C241-T245 PolarHBondContact O-N 2.67Å; C241-T245 PolarHBondContact O-OG1 2.7Å
242P88.6Confident93.9Very high63 Ų6347.1 Ų47.141%0.40925%0.248SC..Hα-helixtrans-55.7-39.6-172.521.5-33.1000113.4L238 K244 T245 E246L238-P242 HydrophobicContact CD1-CB 4.16Å; L238-P242 WeakPolarHBondContact O-CB 3.49Å; L238-P242 WeakPolarHBondContact O-CD 3.4Å; P242-K244 PolarHBondContact O-N 3.39Å; P242-T245 PolarHBondContact O-N 2.83Å; P242-E246 WeakPolarHBondContact O-CB 3.16Å; P242-E246 PolarHBondContact O-N 3.28Å
243A89.8Confident93.9Very high103 Ų10346.3 Ų46.385%0.85124%0.244SC*.Hα-helixtrans-55.2-28-178.500000114.4C241C241-A243 VanDerWaalsContact C-N 3.28Å; C241-A243 PolarHBondContact O-N 3.01Å; C241-A243 VanDerWaalsContact O-N 3.16Å
244K89.6Confident93.9Very high130 Ų13048.4 Ų48.457%0.56526%0.259SS*.Hα-helixtrans-98.9-23.4179.1-65.5-175.2179.4-177.60113.2C241 P242C241-K244 PolarHBondContact O-N 2.85Å; C241-K244 VanDerWaalsContact O-N 3.12Å; P242-K244 PolarHBondContact O-N 3.39Å
245T93.1Very high93.9Very high0 Ų050.7 Ų50.70%027%0.271CS..Hα-helixtrans-123.5-0.8-165.962.20000115.1P209 L237 L238 C241 P242 L248 A249P209-T245 HydrophobicContact CB-CG2 3.93Å; P209-T245 HydrophobicContact CG-CG2 3.9Å; L237-T245 VanDerWaalsContact C-OG1 3.23Å; L237-T245 HydrophobicContact CB-CG2 3.87Å; L237-T245 HydrophobicContact CD1-CG2 4.35Å; L237-T245 PolarHBondContact O-OG1 2.88Å; L238-T245 WeakPolarHBondContact CA-OG1 3.17Å; L238-T245 PolarHBondContact N-OG1 3.49Å; C241-T245 PolarHBondContact O-N 2.67Å; C241-T245 PolarHBondContact O-OG1 2.7Å; P242-T245 PolarHBondContact O-N 2.83Å; T245-L248 PolarHBondContact O-N 3.43Å; T245-A249 VanDerWaalsContact O-CB 3.23Å; T245-A249 WeakPolarHBondContact O-CB 3.15Å; T245-A249 PolarHBondContact O-N 3.43Å
246E93.5Very high94Very high113 Ų11350.7 Ų50.753%0.52827%0.271SS..Hα-helixtrans-54.1-57.6178.7-175171.9-168.100112.4L238 P242 L248 A249 D250L238-E246 HydrophobicContact CD1-CB 4.15Å; L238-E246 HydrophobicContact CD1-CG 4.41Å; P242-E246 WeakPolarHBondContact O-CB 3.16Å; P242-E246 PolarHBondContact O-N 3.28Å; E246-L248 VanDerWaalsContact C-N 3.32Å; E246-L248 PolarHBondContact O-N 3.3Å; E246-A249 PolarHBondContact O-N 3.46Å; E246-D250 WeakPolarHBondContact O-CB 3.43Å; E246-D250 PolarHBondContact O-N 3.37Å
247L95.1Very high94.1Very high150 Ų15057.4 Ų57.479%0.78530%0.296SS*.Hα-helixtrans-62.6-37.5179.1-65.3175.1000112.8Y251L247-Y251 VanDerWaalsContact O-CB 3.3Å; L247-Y251 WeakPolarHBondContact O-CB 3.25Å; L247-Y251 PolarHBondContact O-N 2.86Å
248L95.4Very high94.1Very high41 Ų4165.1 Ų65.122%0.21533%0.326CS..Hα-helixtrans-68.2-43.1178.4-75.1173.6000111.8L212 R213 T245 E246 Y251 V252L212-L248 HydrophobicContact CD2-CB 4.25Å; R213-L248 HydrophobicContact CB-CD1 4.32Å; R213-L248 HydrophobicContact CB-CD2 4.29Å; R213-L248 HydrophobicContact CG-CD2 4.33Å; T245-L248 PolarHBondContact O-N 3.43Å; E246-L248 VanDerWaalsContact C-N 3.32Å; E246-L248 PolarHBondContact O-N 3.3Å; L248-Y251 PolarHBondContact O-N 3.07Å; L248-V252 WeakPolarHBondContact O-CG2 3.39Å; L248-V252 PolarHBondContact O-N 3.09Å
249A94.9Very high94.3Very high0 Ų064.4 Ų64.40%032%0.322CS..Hα-helixtrans-67.4-41.9178.600000111.2A234 L238 T245 E246 Y251 V252 L253A234-A249 HydrophobicContact CB-CB 4.09Å; L238-A249 HydrophobicContact CB-CB 4Å; L238-A249 HydrophobicContact CD2-CB 4.13Å; L238-A249 HydrophobicContact CG-CB 4.48Å; T245-A249 VanDerWaalsContact O-CB 3.23Å; T245-A249 WeakPolarHBondContact O-CB 3.15Å; T245-A249 PolarHBondContact O-N 3.43Å; E246-A249 PolarHBondContact O-N 3.46Å; A249-Y251 VanDerWaalsContact C-N 3.31Å; A249-Y251 PolarHBondContact O-N 2.85Å; A249-V252 PolarHBondContact O-N 3.41Å; A249-L253 WeakPolarHBondContact O-CB 3.37Å; A249-L253 VanDerWaalsContact O-CG 3.3Å; A249-L253 WeakPolarHBondContact O-CG 3.28Å; A249-L253 PolarHBondContact O-N 3.42Å
250D94.8Very high94.5Very high66 Ų6671.7 Ų71.735%0.35336%0.356SS..Hα-helixtrans-62.5-38.1173.9-89.3-20.7000112.5E246 S254 R272E246-D250 WeakPolarHBondContact O-CB 3.43Å; E246-D250 PolarHBondContact O-N 3.37Å; D250-S254 VanDerWaalsContact O-CB 3.31Å; D250-S254 WeakPolarHBondContact O-CB 3.26Å; D250-S254 PolarHBondContact O-N 3.31Å; D250-S254 PolarHBondContact O-OG 3.15Å; D250-R272 PolarHBondContact O-NH2 3.19Å
251Y97.4Very high94.7Very high116 Ų11668 Ų6846%0.45534%0.343SS..Hα-helixtrans-62.8-51.4174.4179.8-113.1000111.5A216 L247 L248 A249 L253 S254 L255A216-Y251 HydrophobicContact CB-CD1 4.07Å; A216-Y251 HydrophobicContact CB-CE1 4.15Å; L247-Y251 VanDerWaalsContact O-CB 3.3Å; L247-Y251 WeakPolarHBondContact O-CB 3.25Å; L247-Y251 PolarHBondContact O-N 2.86Å; L248-Y251 PolarHBondContact O-N 3.07Å; A249-Y251 VanDerWaalsContact C-N 3.31Å; A249-Y251 PolarHBondContact O-N 2.85Å; Y251-L253 PolarHBondContact O-N 3.44Å; Y251-S254 CarbonylContact O-C 3.54Å; Y251-S254 WeakPolarHBondContact O-CA 3.11Å; Y251-S254 WeakPolarHBondContact O-CB 3.3Å; Y251-S254 PolarHBondContact O-N 3.43Å; Y251-L255 HydrophobicContact CD1-CD1 4.14Å; Y251-L255 HydrophobicContact CE1-CD1 3.58Å; Y251-L255 HydrophobicContact CE1-CG 4.22Å; Y251-L255 HydrophobicContact CE2-CD1 4.45Å; Y251-L255 HydrophobicContact CE2-CD2 4.17Å; Y251-L255 HydrophobicContact CE2-CG 4.27Å; Y251-L255 PolarHBondContact O-N 3.2Å
252V98.1Very high94.9Very high0 Ų073.3 Ų73.30%036%0.359CS..Hα-helixtrans-61.1-42.5178.6172.50000111.7L212 A216 F219 V231 A234 L248 A249 S254 L255 A256L212-V252 HydrophobicContact CD1-CG2 4.1Å; A216-V252 HydrophobicContact CB-CG2 3.67Å; F219-V252 HydrophobicContact CD2-CG1 4.16Å; F219-V252 HydrophobicContact CE2-CG1 3.96Å; V231-V252 HydrophobicContact CG2-CG1 4.03Å; A234-V252 HydrophobicContact CB-CB 4.23Å; A234-V252 HydrophobicContact CB-CG1 4.17Å; L248-V252 WeakPolarHBondContact O-CG2 3.39Å; L248-V252 PolarHBondContact O-N 3.09Å; A249-V252 PolarHBondContact O-N 3.41Å; V252-S254 PolarHBondContact O-N 3.06Å; V252-L255 PolarHBondContact O-N 3.13Å; V252-A256 WeakPolarHBondContact O-CB 3.46Å; V252-A256 PolarHBondContact O-N 3.5Å
253L96.3Very high95.1Very high3 Ų373.8 Ų73.82%0.01636%0.358CS..Hα-helixtrans-67.8-22.1174.8-70.1174.8000113.1V231 A249 Y251 R257 L271 R272V231-L253 HydrophobicContact CG1-CD2 3.96Å; A249-L253 WeakPolarHBondContact O-CB 3.37Å; A249-L253 VanDerWaalsContact O-CG 3.3Å; A249-L253 WeakPolarHBondContact O-CG 3.28Å; A249-L253 PolarHBondContact O-N 3.42Å; Y251-L253 PolarHBondContact O-N 3.44Å; L253-R257 PolarHBondContact O-N 3.32Å; L253-L271 HydrophobicContact CD2-CB 4.23Å; L253-L271 HydrophobicContact CD2-CD1 4.33Å; L253-R272 VanDerWaalsContact C-NH2 3.29Å; L253-R272 HydrophobicContact CB-CG 4.42Å; L253-R272 HydrophobicContact CD1-CG 4.14Å; L253-R272 PolarHBondContact O-NE 3.13Å; L253-R272 PolarHBondContact O-NH2 2.88Å
254S96.6Very high95.5Very high46 Ų4669 Ų6932%0.32232%0.318SS..Hα-helixtrans-78.9-40.7173-59.60000111.1D250 Y251 V252 R257 Y258 R272D250-S254 VanDerWaalsContact O-CB 3.31Å; D250-S254 WeakPolarHBondContact O-CB 3.26Å; D250-S254 PolarHBondContact O-N 3.31Å; D250-S254 PolarHBondContact O-OG 3.15Å; Y251-S254 CarbonylContact O-C 3.54Å; Y251-S254 WeakPolarHBondContact O-CA 3.11Å; Y251-S254 WeakPolarHBondContact O-CB 3.3Å; Y251-S254 PolarHBondContact O-N 3.43Å; V252-S254 PolarHBondContact O-N 3.06Å; S254-R257 WeakPolarHBondContact O-CB 3.44Å; S254-R257 PolarHBondContact O-N 2.83Å; S254-Y258 VanDerWaalsContact O-CD2 3.27Å; S254-Y258 WeakPolarHBondContact O-CD2 3.26Å; S254-R272 VanDerWaalsContact N-NH2 3.18Å; S254-R272 PolarHBondContact OG-NH2 3.14Å
255L98.1Very high95.8Very high48 Ų4867.2 Ų67.225%0.25131%0.308SS..Hα-helixtrans-60.7-49172.2-64.9-179.8000110.9F219 Y251 V252 R257 Y258 D259F219-L255 HydrophobicContact CB-CD1 3.77Å; F219-L255 HydrophobicContact CD1-CB 3.62Å; F219-L255 HydrophobicContact CD1-CD1 4.07Å; F219-L255 HydrophobicContact CE1-CB 3.93Å; F219-L255 HydrophobicContact CG-CB 4.33Å; F219-L255 HydrophobicContact CG-CD1 4.07Å; Y251-L255 HydrophobicContact CD1-CD1 4.14Å; Y251-L255 HydrophobicContact CE1-CD1 3.58Å; Y251-L255 HydrophobicContact CE1-CG 4.22Å; Y251-L255 HydrophobicContact CE2-CD1 4.45Å; Y251-L255 HydrophobicContact CE2-CD2 4.17Å; Y251-L255 HydrophobicContact CE2-CG 4.27Å; Y251-L255 PolarHBondContact O-N 3.2Å; V252-L255 PolarHBondContact O-N 3.13Å; L255-R257 PolarHBondContact O-N 3.47Å; L255-Y258 PolarHBondContact O-N 3.25Å; L255-D259 PolarHBondContact O-N 3.47Å
256A97.9Very high96Very high0 Ų070.6 Ų70.60%033%0.326CS..Hα-helixtrans-60.6-28178.500000113.5F219 V231 V252 Y258 D259 I264 R265 A268F219-A256 HydrophobicContact CE1-CB 4.23Å; F219-A256 HydrophobicContact CZ-CB 3.87Å; V231-A256 HydrophobicContact CG2-CB 3.84Å; V252-A256 WeakPolarHBondContact O-CB 3.46Å; V252-A256 PolarHBondContact O-N 3.5Å; A256-Y258 VanDerWaalsContact C-N 3.25Å; A256-Y258 PolarHBondContact O-N 3.02Å; A256-D259 PolarHBondContact O-N 2.93Å; A256-I264 HydrophobicContact CB-CG2 3.75Å; A256-R265 WeakPolarHBondContact O-CA 3.31Å; A256-R265 WeakPolarHBondContact O-CG 3.21Å; A256-A268 HydrophobicContact CB-CB 3.72Å
257R96.6Very high96.1Very high142 Ų14270.1 Ų70.154%0.53632%0.319SS..Hα-helixtrans-63.4-31176178-176.8178.2-177.80.5112.6L253 S254 L255 R265L253-R257 PolarHBondContact O-N 3.32Å; S254-R257 WeakPolarHBondContact O-CB 3.44Å; S254-R257 PolarHBondContact O-N 2.83Å; L255-R257 PolarHBondContact O-N 3.47Å; R257-R265 WeakPolarHBondContact O-CG 3.5Å
258Y96.4Very high96.1Very high164 Ų16463 Ų6364%0.64328%0.282SS*.THydrogen-bonded Turntrans-11014.7-176.8-60.8-74.9000112.7S254 L255 A256S254-Y258 VanDerWaalsContact O-CD2 3.27Å; S254-Y258 WeakPolarHBondContact O-CD2 3.26Å; L255-Y258 PolarHBondContact O-N 3.25Å; A256-Y258 VanDerWaalsContact C-N 3.25Å; A256-Y258 PolarHBondContact O-N 3.02Å
259D97.6Very high96Very high18 Ų1867.2 Ų67.210%0.09630%0.295CS..  trans-67156.8177.2-161.7-86.6000111.8K227 L255 A256 S261 I264 R265K227-D259 WeakPolarHBondContact CD-OD2 3.49Å; K227-D259 WeakPolarHBondContact CE-OD2 3.49Å; K227-D259 IonicContact NZ-OD1 3.08Å; K227-D259 IonicContact NZ-OD2 3.01Å; K227-D259 PolarHBondContact NZ-OD2 2.87Å; L255-D259 PolarHBondContact O-N 3.47Å; A256-D259 PolarHBondContact O-N 2.93Å; D259-S261 PolarHBondContact OD1-N 3.39Å; D259-I264 HydrophobicContact CB-CB 4.19Å; D259-I264 HydrophobicContact CB-CG2 3.75Å; D259-R265 HydrophobicContact CB-CG 4.47Å; D259-R265 WeakPolarHBondContact O-CD 3.46Å; D259-R265 WeakPolarHBondContact O-CG 3.29Å; D259-R265 PolarHBondContact O-NE 3.45Å
260Q94.4Very high95.9Very high171 Ų17172.3 Ų72.380%0.79932%0.318SS*.SBendtrans-70.2-39.7177.3-64.8-61.9-28.800111.5Y262 R265Q260-Y262 PolarHBondContact O-N 3.28Å; Q260-R265 PolarHBondContact O-NH2 2.9Å
261S94.1Very high95.8Very high21 Ų2169.2 Ų69.215%0.14730%0.301CS..  trans-63.9132.5177.2169.30000110.4E224 D259 D263 I264 R265E224-S261 WeakPolarHBondContact OE1-CB 3.13Å; E224-S261 PolarHBondContact OE1-OG 3.24Å; D259-S261 PolarHBondContact OD1-N 3.39Å; S261-D263 PolarHBondContact OG-N 3.17Å; S261-D263 VanDerWaalsContact OG-N 3.14Å; S261-I264 PolarHBondContact OG-N 3.28Å; S261-R265 WeakPolarHBondContact O-CG 3.44Å; S261-R265 PolarHBondContact O-N 3.25Å; S261-R265 PolarHBondContact O-NE 2.98Å; S261-R265 VanDerWaalsContact O-NE 3.14Å
262Y94.6Very high95.5Very high144 Ų14467.5 Ų67.557%0.56529%0.294SS*.Hα-helixtrans-70.3-35.9172.963-91.5000110.8Q260 I264 R265 D266Q260-Y262 PolarHBondContact O-N 3.28Å; Y262-I264 VanDerWaalsContact C-N 3.35Å; Y262-I264 PolarHBondContact O-N 3.22Å; Y262-R265 PolarHBondContact O-N 3.49Å; Y262-D266 VanDerWaalsContact O-CB 3.31Å; Y262-D266 WeakPolarHBondContact O-CB 3.38Å; Y262-D266 VanDerWaalsContact O-CG 3.23Å; Y262-D266 PolarHBondContact O-N 3.34Å
263D92.7Very high95Very high74 Ų7472.5 Ų72.540%0.39632%0.32SS..Hα-helixtrans-62.9-41.3-179.8-76.1-44.8000111.5E224 S261 D266 R267E224-D263 WeakPolarHBondContact OE1-CB 3.23Å; S261-D263 PolarHBondContact OG-N 3.17Å; S261-D263 VanDerWaalsContact OG-N 3.14Å; D263-D266 PolarHBondContact O-N 2.94Å; D263-R267 VanDerWaalsContact O-CB 3.26Å; D263-R267 WeakPolarHBondContact O-CB 3.46Å; D263-R267 PolarHBondContact O-N 3.36Å
264I97.6Very high94.6Very high3 Ų373 Ų732%0.01532%0.323CS..Hα-helixtrans-66.2-43.7176.6-67.4163.9000111.2F219 E224 K227 L228 A256 D259 S261 Y262 D266 R267 A268F219-I264 HydrophobicContact CZ-CG2 4.37Å; E224-I264 HydrophobicContact CB-CD1 4.21Å; E224-I264 HydrophobicContact CG-CD1 3.86Å; E224-I264 HydrophobicContact CG-CG1 4.19Å; K227-I264 HydrophobicContact CB-CD1 3.73Å; K227-I264 HydrophobicContact CB-CG1 4.35Å; K227-I264 HydrophobicContact CD-CD1 3.39Å; K227-I264 HydrophobicContact CG-CD1 4.2Å; L228-I264 HydrophobicContact CD2-CG1 4.32Å; L228-I264 HydrophobicContact CG-CG1 4.41Å; A256-I264 HydrophobicContact CB-CG2 3.75Å; D259-I264 HydrophobicContact CB-CB 4.19Å; D259-I264 HydrophobicContact CB-CG2 3.75Å; S261-I264 PolarHBondContact OG-N 3.28Å; Y262-I264 VanDerWaalsContact C-N 3.35Å; Y262-I264 PolarHBondContact O-N 3.22Å; I264-D266 VanDerWaalsContact C-N 3.34Å; I264-D266 PolarHBondContact O-N 3.45Å; I264-R267 PolarHBondContact O-N 2.97Å; I264-A268 WeakPolarHBondContact O-CB 3.42Å; I264-A268 PolarHBondContact O-N 3.36Å
265R97.4Very high94.1Very high91 Ų9171.7 Ų71.734%0.34331%0.313SS..Hα-helixtrans-62.6-42.8176.9-74-176.3-77.2164.2-8.5111.5A256 R257 D259 Q260 S261 Y262 A268 R269A256-R265 WeakPolarHBondContact O-CA 3.31Å; A256-R265 WeakPolarHBondContact O-CG 3.21Å; R257-R265 WeakPolarHBondContact O-CG 3.5Å; D259-R265 HydrophobicContact CB-CG 4.47Å; D259-R265 WeakPolarHBondContact O-CD 3.46Å; D259-R265 WeakPolarHBondContact O-CG 3.29Å; D259-R265 PolarHBondContact O-NE 3.45Å; Q260-R265 PolarHBondContact O-NH2 2.9Å; S261-R265 WeakPolarHBondContact O-CG 3.44Å; S261-R265 PolarHBondContact O-N 3.25Å; S261-R265 PolarHBondContact O-NE 2.98Å; S261-R265 VanDerWaalsContact O-NE 3.14Å; Y262-R265 PolarHBondContact O-N 3.49Å; R265-A268 PolarHBondContact O-N 3.44Å; R265-R269 WeakPolarHBondContact O-CG 3.3Å; R265-R269 PolarHBondContact O-N 3.32Å
266D96.3Very high93Very high71 Ų7171.8 Ų71.838%0.3831%0.313SS..Hα-helixtrans-66.8-43.2-179.8-76.327.8000110.7Y262 D263 I264 A268 R269 F270Y262-D266 VanDerWaalsContact O-CB 3.31Å; Y262-D266 WeakPolarHBondContact O-CB 3.38Å; Y262-D266 VanDerWaalsContact O-CG 3.23Å; Y262-D266 PolarHBondContact O-N 3.34Å; D263-D266 PolarHBondContact O-N 2.94Å; I264-D266 VanDerWaalsContact C-N 3.34Å; I264-D266 PolarHBondContact O-N 3.45Å; D266-A268 VanDerWaalsContact C-N 3.34Å; D266-A268 PolarHBondContact O-N 3.44Å; D266-R269 PolarHBondContact O-N 3.49Å; D266-R269 IonicContact OD1-CZ 3.26Å; D266-R269 IonicContact OD1-NH1 3.25Å; D266-R269 PolarHBondContact OD1-NH1 3.47Å; D266-R269 IonicContact OD1-NH2 2.81Å; D266-R269 PolarHBondContact OD1-NH2 2.89Å; D266-R269 IonicContact OD2-NH2 3.94Å; D266-R269 PolarHBondContact OD2-NH2 3.36Å; D266-F270 WeakPolarHBondContact O-CB 3.27Å; D266-F270 PolarHBondContact O-N 3.04Å
267R95.1Very high91.5Very high104 Ų10477.2 Ų77.239%0.39235%0.348SS..Hα-helixtrans-57.4-45.7171.5-167.170172.1-172.2-1111.4L228 V231 D263 I264 R269 F270 L271L228-R267 HydrophobicContact CD2-CB 4.32Å; L228-R267 HydrophobicContact CD2-CG 4.16Å; V231-R267 HydrophobicContact CG1-CG 4.48Å; D263-R267 VanDerWaalsContact O-CB 3.26Å; D263-R267 WeakPolarHBondContact O-CB 3.46Å; D263-R267 PolarHBondContact O-N 3.36Å; I264-R267 PolarHBondContact O-N 2.97Å; R267-R269 PolarHBondContact O-N 3.26Å; R267-F270 PolarHBondContact O-N 2.92Å; R267-L271 HydrophobicContact CG-CD1 3.93Å; R267-L271 WeakPolarHBondContact O-CB 3.49Å; R267-L271 WeakPolarHBondContact O-CG 3.39Å; R267-L271 PolarHBondContact O-N 3.45Å
268A95.4Very high90.2Very high1 Ų175.3 Ų75.31%0.00836%0.357CS..Hα-helixtrans-62.9-42.3178.300000112.5A256 I264 R265 D266 L271 R272A256-A268 HydrophobicContact CB-CB 3.72Å; I264-A268 WeakPolarHBondContact O-CB 3.42Å; I264-A268 PolarHBondContact O-N 3.36Å; R265-A268 PolarHBondContact O-N 3.44Å; D266-A268 VanDerWaalsContact C-N 3.34Å; D266-A268 PolarHBondContact O-N 3.44Å; A268-L271 PolarHBondContact O-N 2.88Å; A268-R272 WeakPolarHBondContact O-CB 3.4Å; A268-R272 WeakPolarHBondContact O-CG 3.46Å; A268-R272 PolarHBondContact O-N 3.2Å
269R93.8Very high88.9Confident128 Ų12869.8 Ų69.848%0.48334%0.342SS..Hα-helixtrans-62.9-44.8175.4-68.3-165.8-51.8-92.110.4111.5R265 D266 R267 N273R265-R269 WeakPolarHBondContact O-CG 3.3Å; R265-R269 PolarHBondContact O-N 3.32Å; D266-R269 PolarHBondContact O-N 3.49Å; D266-R269 IonicContact OD1-CZ 3.26Å; D266-R269 IonicContact OD1-NH1 3.25Å; D266-R269 PolarHBondContact OD1-NH1 3.47Å; D266-R269 IonicContact OD1-NH2 2.81Å; D266-R269 PolarHBondContact OD1-NH2 2.89Å; D266-R269 IonicContact OD2-NH2 3.94Å; D266-R269 PolarHBondContact OD2-NH2 3.36Å; R267-R269 PolarHBondContact O-N 3.26Å; R269-N273 PolarHBondContact O-N 2.98Å; R269-N273 PolarHBondContact O-ND2 2.83Å
270F93.1Very high87.4Confident108 Ų10875.2 Ų75.247%0.47438%0.378SS..Hα-helixtrans-58.7-50.1176.8173.2-101.8000111.3D266 R267 N273 L274D266-F270 WeakPolarHBondContact O-CB 3.27Å; D266-F270 PolarHBondContact O-N 3.04Å; R267-F270 PolarHBondContact O-N 2.92Å; F270-N273 PolarHBondContact O-N 3.09Å; F270-L274 HydrophobicContact CE1-CD2 4.32Å; F270-L274 HydrophobicContact CZ-CD1 4.32Å; F270-L274 WeakPolarHBondContact O-CB 3.47Å; F270-L274 PolarHBondContact O-N 2.95Å
271L93.3Very high86.2Confident0 Ų072.7 Ų72.70%038%0.375CS..Hα-helixtrans-66.7-40.1-176.6-66.5171.3000113.3V231 V235 L253 R267 A268 N273 L274 L275 F292V231-L271 HydrophobicContact CG1-CD1 3.14Å; V235-L271 HydrophobicContact CG2-CB 4.29Å; V235-L271 HydrophobicContact CG2-CD1 3.99Å; V235-L271 HydrophobicContact CG2-CD2 4.24Å; V235-L271 HydrophobicContact CG2-CG 4.41Å; L253-L271 HydrophobicContact CD2-CB 4.23Å; L253-L271 HydrophobicContact CD2-CD1 4.33Å; R267-L271 HydrophobicContact CG-CD1 3.93Å; R267-L271 WeakPolarHBondContact O-CB 3.49Å; R267-L271 WeakPolarHBondContact O-CG 3.39Å; R267-L271 PolarHBondContact O-N 3.45Å; A268-L271 PolarHBondContact O-N 2.88Å; L271-N273 VanDerWaalsContact C-N 3.33Å; L271-N273 PolarHBondContact O-N 3.03Å; L271-L274 HydrophobicContact CD2-CD2 4.47Å; L271-L274 WeakPolarHBondContact O-CB 3.48Å; L271-L274 PolarHBondContact O-N 2.78Å; L271-L275 WeakPolarHBondContact O-CB 3.48Å; L271-L275 WeakPolarHBondContact O-CG 3.37Å; L271-L275 PolarHBondContact O-N 3.08Å; L271-F292 HydrophobicContact CD2-CE1 3.99Å; L271-F292 HydrophobicContact CD2-CE2 4.28Å; L271-F292 HydrophobicContact CD2-CZ 3.32Å
272R89.9Confident85.3Confident80 Ų8073 Ų7330%0.30238%0.375SS..Hα-helixtrans-61.3-41.8175.4-77.4-179173.5-86.41.5112D250 L253 S254 A268 L275 N276D250-R272 PolarHBondContact O-NH2 3.19Å; L253-R272 VanDerWaalsContact C-NH2 3.29Å; L253-R272 HydrophobicContact CB-CG 4.42Å; L253-R272 HydrophobicContact CD1-CG 4.14Å; L253-R272 PolarHBondContact O-NE 3.13Å; L253-R272 PolarHBondContact O-NH2 2.88Å; S254-R272 VanDerWaalsContact N-NH2 3.18Å; S254-R272 PolarHBondContact OG-NH2 3.14Å; A268-R272 WeakPolarHBondContact O-CB 3.4Å; A268-R272 WeakPolarHBondContact O-CG 3.46Å; A268-R272 PolarHBondContact O-N 3.2Å; R272-L275 PolarHBondContact O-N 3.1Å; R272-N276 PolarHBondContact O-N 3.31Å; R272-N276 VanDerWaalsContact O-N 3.11Å
273N88.4Confident84.4Confident105 Ų10575.9 Ų75.956%0.56139%0.385SS*.Hα-helixtrans-69.4-35.4176.6-74-50.7000112.2R269 F270 L271 L275 N282R269-N273 PolarHBondContact O-N 2.98Å; R269-N273 PolarHBondContact O-ND2 2.83Å; F270-N273 PolarHBondContact O-N 3.09Å; L271-N273 VanDerWaalsContact C-N 3.33Å; L271-N273 PolarHBondContact O-N 3.03Å; N273-L275 VanDerWaalsContact C-N 3.34Å; N273-L275 PolarHBondContact O-N 3.48Å; N273-N282 PolarHBondContact O-ND2 2.99Å
274L87.6Confident83.8Confident13 Ų1378.5 Ų78.57%0.06839%0.393CS..Hα-helixtrans-65-36.8176.7-169.781000112.6F270 L271 F284 T285 A288 L291 F292F270-L274 HydrophobicContact CE1-CD2 4.32Å; F270-L274 HydrophobicContact CZ-CD1 4.32Å; F270-L274 WeakPolarHBondContact O-CB 3.47Å; F270-L274 PolarHBondContact O-N 2.95Å; L271-L274 HydrophobicContact CD2-CD2 4.47Å; L271-L274 WeakPolarHBondContact O-CB 3.48Å; L271-L274 PolarHBondContact O-N 2.78Å; L274-F284 HydrophobicContact CD1-CB 3.62Å; L274-F284 HydrophobicContact CD1-CD1 4.32Å; L274-F284 HydrophobicContact CD1-CG 4.15Å; L274-F284 HydrophobicContact CG-CB 4.36Å; L274-T285 WeakPolarHBondContact O-CA 3.45Å; L274-T285 PolarHBondContact O-N 2.84Å; L274-T285 PolarHBondContact O-OG1 3.44Å; L274-A288 HydrophobicContact CD2-CB 4.43Å; L274-L291 HydrophobicContact CD1-CD2 4.49Å; L274-L291 HydrophobicContact CD2-CD2 4.04Å; L274-F292 HydrophobicContact CD2-CE2 3.48Å; L274-F292 VanDerWaalsContact CD2-CE2 3.48Å; L274-F292 HydrophobicContact CD2-CZ 3.94Å
275L85.1Confident83Confident20 Ų2080.5 Ų80.511%0.10541%0.405CS..Hα-helixtrans-97.5-2.3-174.9-61171.2000114.1V235 L238 L239 L271 R272 N273 P277 A288V235-L275 HydrophobicContact CB-CD1 4.2Å; V235-L275 HydrophobicContact CG1-CD1 3.67Å; V235-L275 HydrophobicContact CG1-CD2 4.2Å; V235-L275 HydrophobicContact CG1-CG 4.42Å; V235-L275 HydrophobicContact CG2-CD1 3.71Å; L238-L275 HydrophobicContact CD2-CD1 4.13Å; L239-L275 HydrophobicContact CD1-CD2 4.33Å; L239-L275 HydrophobicContact CD2-CD2 3.77Å; L239-L275 HydrophobicContact CG-CD2 4.19Å; L271-L275 WeakPolarHBondContact O-CB 3.48Å; L271-L275 WeakPolarHBondContact O-CG 3.37Å; L271-L275 PolarHBondContact O-N 3.08Å; R272-L275 PolarHBondContact O-N 3.1Å; N273-L275 VanDerWaalsContact C-N 3.34Å; N273-L275 PolarHBondContact O-N 3.48Å; L275-P277 WeakPolarHBondContact O-CD 3.17Å; L275-A288 HydrophobicContact CD2-CB 3.88Å
276N76.5Confident82.1Confident50 Ų5080.6 Ų80.627%0.26742%0.42SS..  trans-53.4109-168.6-172.2-3.4000112.3R272 S278R272-N276 PolarHBondContact O-N 3.31Å; R272-N276 VanDerWaalsContact O-N 3.11Å; N276-S278 VanDerWaalsContact C-N 3.35Å; N276-S278 WeakPolarHBondContact OD1-CB 3.27Å; N276-S278 PolarHBondContact OD1-N 3.33Å; N276-S278 VanDerWaalsContact OD1-N 3.14Å
277P66.8Low81.6Confident113 Ų11381.5 Ų81.573%0.73442%0.424SS*.THydrogen-bonded Turntrans-76.4-24.5-177.830.3-33.6000112.3L275 S279L275-P277 WeakPolarHBondContact O-CD 3.17Å; P277-S279 PolarHBondContact O-N 3.27Å
278S68.1Low81.3Confident103 Ų10376.6 Ų76.672%0.7241%0.405SS*.THydrogen-bonded Turntrans-70.2-14-176.3-54.80000113.6N276 P280N276-S278 VanDerWaalsContact C-N 3.35Å; N276-S278 WeakPolarHBondContact OD1-CB 3.27Å; N276-S278 PolarHBondContact OD1-N 3.33Å; N276-S278 VanDerWaalsContact OD1-N 3.14Å; S278-P280 VanDerWaalsContact O-CD 3.24Å; S278-P280 WeakPolarHBondContact O-CD 3.25Å
279S69.5Low80.9Confident47 Ų4782.3 Ų82.333%0.32943%0.43SS..  trans-102.497.9178.6-69.60000110.3P277 T281 N282P277-S279 PolarHBondContact O-N 3.27Å; S279-T281 PolarHBondContact O-N 2.86Å; S279-N282 VanDerWaalsContact O-CB 3.28Å; S279-N282 WeakPolarHBondContact O-CB 3.3Å; S279-N282 PolarHBondContact O-N 2.88Å
280P66.1Low80.6Confident132 Ų13283.8 Ų83.886%0.85744%0.44SS*.THydrogen-bonded Turntrans-61.6-18.5176.824.9-34.1000112.7S278S278-P280 VanDerWaalsContact O-CD 3.24Å; S278-P280 WeakPolarHBondContact O-CD 3.25Å
281T69.5Low80.4Confident118 Ų11883.1 Ų83.172%0.72444%0.441SS*.THydrogen-bonded Turntrans-83.9-5.9176.153.80000113.8S279 R283S279-T281 PolarHBondContact O-N 2.86Å; T281-R283 PolarHBondContact O-N 2.84Å
282N73.7Confident80.3Confident28 Ų2883.9 Ų83.915%0.1544%0.444CS..  trans-75.289.6-175.7-167.71.2000111.3N273 S279 F284 T285N273-N282 PolarHBondContact O-ND2 2.99Å; S279-N282 VanDerWaalsContact O-CB 3.28Å; S279-N282 WeakPolarHBondContact O-CB 3.3Å; S279-N282 PolarHBondContact O-N 2.88Å; N282-F284 PolarHBondContact O-N 3.19Å; N282-F284 VanDerWaalsContact O-N 3.15Å; N282-F284 WeakPolarHBondContact OD1-CB 3.41Å; N282-F284 WeakPolarHBondContact OD1-CD2 3.06Å; N282-F284 PolarHBondContact OD1-N 2.94Å; N282-F284 VanDerWaalsContact OD1-N 3.12Å; N282-T285 PolarHBondContact ND2-OG1 3.17Å; N282-T285 PolarHBondContact O-N 2.73Å
283R77Confident80.2Confident204 Ų20483 Ų8377%0.7744%0.443SS*.Hα-helixtrans-62.3-17176-61.9-178.5-177.6176.10.5112.8T281 S286T281-R283 PolarHBondContact O-N 2.84Å; R283-S286 PolarHBondContact O-OG 2.81Å
284F80.1Confident80.3Confident129 Ų12981.6 Ų81.657%0.56644%0.438SS*.Hα-helixtrans-75.7-34.3179.9-62.1-71.4000112.6L274 N282 S286 I287 A288L274-F284 HydrophobicContact CD1-CB 3.62Å; L274-F284 HydrophobicContact CD1-CD1 4.32Å; L274-F284 HydrophobicContact CD1-CG 4.15Å; L274-F284 HydrophobicContact CG-CB 4.36Å; N282-F284 PolarHBondContact O-N 3.19Å; N282-F284 VanDerWaalsContact O-N 3.15Å; N282-F284 WeakPolarHBondContact OD1-CB 3.41Å; N282-F284 WeakPolarHBondContact OD1-CD2 3.06Å; N282-F284 PolarHBondContact OD1-N 2.94Å; N282-F284 VanDerWaalsContact OD1-N 3.12Å; F284-S286 PolarHBondContact O-N 2.97Å; F284-I287 CarbonylContact O-C 3.51Å; F284-I287 PolarHBondContact O-N 3.34Å; F284-A288 PolarHBondContact O-N 3.16Å
285T79.7Confident80Confident45 Ų4586.3 Ų86.328%0.27647%0.469SS..Hα-helixtrans-58.9-37.2178.4-48.40000111.6L274 N282 I287 A288L274-T285 WeakPolarHBondContact O-CA 3.45Å; L274-T285 PolarHBondContact O-N 2.84Å; L274-T285 PolarHBondContact O-OG1 3.44Å; N282-T285 PolarHBondContact ND2-OG1 3.17Å; N282-T285 PolarHBondContact O-N 2.73Å; T285-I287 VanDerWaalsContact C-N 3.32Å; T285-I287 PolarHBondContact O-N 3.03Å; T285-A288 WeakPolarHBondContact O-CB 3.31Å; T285-A288 PolarHBondContact O-N 2.94Å
286S79.6Confident80Confident93 Ų9388.3 Ų88.365%0.6548%0.477SS*.Hα-helixtrans-71.7-24.8177.3650000113.5R283 F284R283-S286 PolarHBondContact O-OG 2.81Å; F284-S286 PolarHBondContact O-N 2.97Å
287I86.4Confident80.2Confident91 Ų9191.5 Ų91.547%0.46750%0.501SS..Hα-helixtrans-92.7-19.8178.1-58.7170.1000111.4F284 T285 K289 K290 L291F284-I287 CarbonylContact O-C 3.51Å; F284-I287 PolarHBondContact O-N 3.34Å; T285-I287 VanDerWaalsContact C-N 3.32Å; T285-I287 PolarHBondContact O-N 3.03Å; I287-K289 VanDerWaalsContact C-N 3.27Å; I287-K289 PolarHBondContact O-N 3.35Å; I287-K289 VanDerWaalsContact O-N 3.15Å; I287-K290 WeakPolarHBondContact O-CA 3.43Å; I287-K290 WeakPolarHBondContact O-CB 3.39Å; I287-K290 PolarHBondContact O-N 2.65Å; I287-L291 PolarHBondContact O-N 2.78Å
288A88.1Confident80.8Confident0 Ų089.2 Ų89.20%048%0.484CS..Hα-helixtrans-52.2-42.7-175.400000112.7L239 L274 L275 F284 T285 K290 L291 F292L239-A288 HydrophobicContact CD1-CB 4.09Å; L239-A288 HydrophobicContact CD2-CB 4.06Å; L274-A288 HydrophobicContact CD2-CB 4.43Å; L275-A288 HydrophobicContact CD2-CB 3.88Å; F284-A288 PolarHBondContact O-N 3.16Å; T285-A288 WeakPolarHBondContact O-CB 3.31Å; T285-A288 PolarHBondContact O-N 2.94Å; A288-K290 VanDerWaalsContact C-N 3.33Å; A288-K290 PolarHBondContact O-N 2.89Å; A288-L291 PolarHBondContact O-N 2.72Å; A288-L291 VanDerWaalsContact O-N 3.14Å; A288-F292 VanDerWaalsContact O-CD2 3.28Å; A288-F292 WeakPolarHBondContact O-CD2 3.47Å; A288-F292 PolarHBondContact O-N 2.77Å
289K86.5Confident81.4Confident121 Ų12186 Ų8653%0.52646%0.461SS..Hα-helixtrans-55.6-47.8174.2-67.8-167.5179.8-162.50111.8L239 I287 L291 F293L239-K289 HydrophobicContact CB-CG 4.2Å; L239-K289 HydrophobicContact CD2-CG 4.02Å; L239-K289 WeakPolarHBondContact O-CE 3.07Å; L239-K289 PolarHBondContact O-NZ 3.37Å; L239-K289 VanDerWaalsContact O-NZ 3.09Å; I287-K289 VanDerWaalsContact C-N 3.27Å; I287-K289 PolarHBondContact O-N 3.35Å; I287-K289 VanDerWaalsContact O-N 3.15Å; K289-L291 VanDerWaalsContact C-N 3.34Å; K289-L291 PolarHBondContact O-N 3.35Å; K289-F293 WeakPolarHBondContact O-CB 3.48Å; K289-F293 WeakPolarHBondContact O-CD2 3.31Å; K289-F293 PolarHBondContact O-N 3.17Å
290K87.8Confident81.5Confident160 Ų16088.2 Ų88.270%0.69648%0.476SS*.Hα-helixtrans-62.8-43.4177.7-63.5-176.1179-177.30110.8I287 A288 T294I287-K290 WeakPolarHBondContact O-CA 3.43Å; I287-K290 WeakPolarHBondContact O-CB 3.39Å; I287-K290 PolarHBondContact O-N 2.65Å; A288-K290 VanDerWaalsContact C-N 3.33Å; A288-K290 PolarHBondContact O-N 2.89Å; K290-T294 PolarHBondContact O-N 2.95Å; K290-T294 PolarHBondContact O-OG1 3.25Å
291L88.9Confident82Confident93 Ų9382.8 Ų82.849%0.48744%0.44SS..Hα-helixtrans-62.4-46.3-177.7-176.965.9000113.1L274 I287 A288 K289L274-L291 HydrophobicContact CD1-CD2 4.49Å; L274-L291 HydrophobicContact CD2-CD2 4.04Å; I287-L291 PolarHBondContact O-N 2.78Å; A288-L291 PolarHBondContact O-N 2.72Å; A288-L291 VanDerWaalsContact O-N 3.14Å; K289-L291 VanDerWaalsContact C-N 3.34Å; K289-L291 PolarHBondContact O-N 3.35Å
292F90.4Very high82.3Confident17 Ų1784.3 Ų84.38%0.07544%0.437CS..Hα-helixtrans-79.6-26.3-176.7-76.5-79.7000113.9N232 V235 K236 L239 L271 L274 A288N232-F292 WeakPolarHBondContact OD1-CD1 3.27Å; V235-F292 HydrophobicContact CB-CE1 4.45Å; V235-F292 HydrophobicContact CG1-CD1 4.15Å; V235-F292 HydrophobicContact CG1-CD2 3.72Å; V235-F292 HydrophobicContact CG1-CE1 3.94Å; V235-F292 HydrophobicContact CG1-CE2 3.5Å; V235-F292 HydrophobicContact CG1-CG 4.09Å; V235-F292 HydrophobicContact CG1-CZ 3.67Å; K236-F292 WeakPolarHBondContact CE-O 3.44Å; K236-F292 HydrophobicContact CG-CB 4.08Å; K236-F292 HydrophobicContact CG-CD1 4.43Å; K236-F292 PolarHBondContact NZ-O 2.89Å; L239-F292 HydrophobicContact CD1-CB 4.25Å; L239-F292 HydrophobicContact CD1-CD2 3.64Å; L239-F292 HydrophobicContact CD1-CE2 4.45Å; L239-F292 HydrophobicContact CD1-CG 4.22Å; L271-F292 HydrophobicContact CD2-CE1 3.99Å; L271-F292 HydrophobicContact CD2-CE2 4.28Å; L271-F292 HydrophobicContact CD2-CZ 3.32Å; L274-F292 HydrophobicContact CD2-CE2 3.48Å; L274-F292 VanDerWaalsContact CD2-CE2 3.48Å; L274-F292 HydrophobicContact CD2-CZ 3.94Å; A288-F292 VanDerWaalsContact O-CD2 3.28Å; A288-F292 WeakPolarHBondContact O-CD2 3.47Å; A288-F292 PolarHBondContact O-N 2.77Å
293F89.4Confident82.7Confident61 Ų6183.7 Ų83.727%0.26844%0.435SS..THydrogen-bonded Turntrans-103.818178.8-59.6-65000112.7N201 K236 L239 K240 K289N201-F293 WeakPolarHBondContact ND2-CE1 3.19Å; K236-F293 HydrophobicContact CB-CE1 4.13Å; K236-F293 HydrophobicContact CB-CZ 4.02Å; K236-F293 HydrophobicContact CD-CE1 4.06Å; K236-F293 HydrophobicContact CG-CE1 4.08Å; K236-F293 HydrophobicContact CG-CZ 4.23Å; L239-F293 HydrophobicContact CB-CE2 4.16Å; K240-F293 HydrophobicContact CB-CZ 4.5Å; K289-F293 WeakPolarHBondContact O-CB 3.48Å; K289-F293 WeakPolarHBondContact O-CD2 3.31Å; K289-F293 PolarHBondContact O-N 3.17Å
294T89.4Confident82.7Confident76 Ų7676.7 Ų76.747%0.46643%0.426SS..SBendtrans-66.1135.5169.5-65.10000108.4K290 K296K290-T294 PolarHBondContact O-N 2.95Å; K290-T294 PolarHBondContact O-OG1 3.25Å; T294-K296 PolarHBondContact O-N 3.39Å
295P81.9Confident82.8Confident111 Ų11171.8 Ų71.872%0.72141%0.405SS*.PPolyproline II helixtrans-54.9129.9177.423-34.5000109.9
296K84.6Confident82.5Confident62 Ų6273.4 Ų73.427%0.2742%0.415SS..PPolyproline II helixtrans-85.4145.4179.8-51.1-137.4-164.878.10109.3W195 E199 T294 V298W195-K296 HydrophobicContact CZ2-CB 4.08Å; W195-K296 HydrophobicContact CZ2-CD 3.62Å; W195-K296 HydrophobicContact CZ2-CG 3.91Å; E199-K296 IonicContact OE2-NZ 2.93Å; E199-K296 PolarHBondContact OE2-NZ 2.83Å; T294-K296 PolarHBondContact O-N 3.39Å; K296-V298 PolarHBondContact O-N 3.37Å
297P80.3Confident81.9Confident118 Ų11870 Ų7077%0.76639%0.393SS*.PPolyproline II helixtrans-61.5136.4176.127-34.3000109.4
298V79.5Confident81.5Confident64 Ų6467.4 Ų67.439%0.38838%0.378SS..PPolyproline II helixtrans-70.1132.4-177.9-168.70000109.3Q164 H165 K296 S300Q164-V298 HydrophobicContact CB-CG1 4.12Å; Q164-V298 WeakPolarHBondContact O-CG2 3.42Å; H165-V298 HydrophobicContact CB-CG1 4.26Å; H165-V298 WeakPolarHBondContact CD2-CG1 3.48Å; H165-V298 WeakPolarHBondContact CE1-CG1 3.41Å; H165-V298 VanDerWaalsContact CG-CG1 3.43Å; H165-V298 WeakPolarHBondContact NE2-CG1 3.17Å; K296-V298 PolarHBondContact O-N 3.37Å; V298-S300 PolarHBondContact O-N 2.93Å
299P80.5Confident80.6Confident35 Ų3573.1 Ų73.123%0.22741%0.405CS..PPolyproline II helixtrans-60.4129176.6-23.633.9000111.6N161 H165 M301N161-P299 HydrophobicContact CB-CB 4.42Å; H165-P299 PolarHBondContact NE2-O 2.83Å; H165-P299 VanDerWaalsContact NE2-O 3.11Å; P299-M301 PolarHBondContact O-N 3.17Å
300S73.1Confident79.9Confident94 Ų9471.2 Ų71.266%0.65741%0.405SS*.PPolyproline II helixtrans-71.9122.4172.8-60.10000110.4V298V298-S300 PolarHBondContact O-N 2.93Å
301M75.1Confident79.7Confident18 Ų1864.7 Ų64.79%0.08938%0.376CS..  trans-11164.3177.2-68-103.9-75.700109.2G123 R124 V158 N161 P299G123-M301 VanDerWaalsContact C-CE 3.43Å; R124-M301 HydrophobicContact CG-CB 4.22Å; R124-M301 HydrophobicContact CG-CE 4.44Å; V158-M301 HydrophobicContact CG1-CE 4.4Å; N161-M301 HydrophobicContact CB-CE 4.35Å; N161-M301 HydrophobicContact CB-CG 4.29Å; N161-M301 HydrophobicContact CB-SD 3.9Å; N161-M301 PolarHBondContact ND2-SD 3.11Å; N161-M301 VanDerWaalsContact ND2-SD 3.44Å; P299-M301 PolarHBondContact O-N 3.17Å
302F77Confident79.7Confident150 Ų15062.4 Ų62.466%0.65836%0.363SS*.  trans-98.5165.1179.7-65.2-62.8000112.5V306F302-V306 HydrophobicContact CB-CG2 4.33Å
303S82.5Confident79.6Confident15 Ų1562 Ų6211%0.10536%0.362CS..  trans-58.7139170.5170.40000111.4T56 E85 F305 V306T56-S303 WeakPolarHBondContact CG2-OG 3.17Å; E85-S303 VanDerWaalsContact OE1-CA 3.26Å; E85-S303 WeakPolarHBondContact OE1-CA 3.41Å; E85-S303 WeakPolarHBondContact OE1-CB 3.43Å; E85-S303 PolarHBondContact OE1-OG 3Å; S303-F305 PolarHBondContact O-N 3.46Å; S303-F305 VanDerWaalsContact O-N 3.13Å; S303-F305 WeakPolarHBondContact OG-CB 3.33Å; S303-F305 PolarHBondContact OG-N 3.26Å; S303-V306 WeakPolarHBondContact O-CG2 2.86Å; S303-V306 PolarHBondContact O-N 3.09Å
304G76.7Confident79.3Confident58 Ų5860.4 Ų60.460%0.59836%0.363SS*.THydrogen-bonded Turntrans-69.4-1.4171.500000114E85E85-G304 PolarHBondContact OE1-N 3.31Å
305F82.1Confident79.2Confident25 Ų2558.2 Ų58.211%0.1135%0.349CS..THydrogen-bonded Turntrans-96.5-5.4175.7-74.7-100.9000113.4T49 A52 T56 L82 E85 S303 R308T49-F305 HydrophobicContact CG2-CE1 3.76Å; T49-F305 HydrophobicContact CG2-CZ 4.49Å; A52-F305 HydrophobicContact CB-CD1 3.79Å; A52-F305 HydrophobicContact CB-CD2 4.13Å; A52-F305 HydrophobicContact CB-CE1 3.72Å; A52-F305 HydrophobicContact CB-CE2 4.08Å; A52-F305 HydrophobicContact CB-CG 4Å; A52-F305 HydrophobicContact CB-CZ 3.89Å; T56-F305 HydrophobicContact CG2-CB 3.89Å; L82-F305 HydrophobicContact CD2-CE1 4.31Å; L82-F305 HydrophobicContact CD2-CE2 4.18Å; L82-F305 HydrophobicContact CD2-CZ 3.48Å; L82-F305 VanDerWaalsContact CD2-CZ 3.48Å; E85-F305 HydrophobicContact CG-CD2 3.69Å; E85-F305 HydrophobicContact CG-CE2 3.85Å; S303-F305 PolarHBondContact O-N 3.46Å; S303-F305 VanDerWaalsContact O-N 3.13Å; S303-F305 WeakPolarHBondContact OG-CB 3.33Å; S303-F305 PolarHBondContact OG-N 3.26Å; F305-R308 WeakPolarHBondContact O-CG 3.29Å
306V72.6Confident79.4Confident80 Ų8058.7 Ų58.749%0.48535%0.345SS..THydrogen-bonded Turntrans-63.9138169.7179.30000109.6T56 F302 S303T56-V306 HydrophobicContact CG2-CG2 4.5Å; F302-V306 HydrophobicContact CB-CG2 4.33Å; S303-V306 WeakPolarHBondContact O-CG2 2.86Å; S303-V306 PolarHBondContact O-N 3.09Å
307G67.1Low79.3Confident20 Ų2055.9 Ų55.921%0.20633%0.333CS..THydrogen-bonded Turntrans83.98.5179.400000115.4E309 P310G307-E309 VanDerWaalsContact C-N 3.26Å; G307-P310 WeakPolarHBondContact O-CD 3.33Å
308R77.7Confident79.7Confident37 Ų3750.3 Ų50.314%0.1430%0.297CS..  trans-81.9-4.1168.4-59.9-158.8-177.3-153.54.7113.7F305 F311 H318 L319 N321F305-R308 WeakPolarHBondContact O-CG 3.29Å; R308-F311 PolarHBondContact O-N 2.99Å; R308-H318 PolarHBondContact NH1-O 3.46Å; R308-L319 PolarHBondContact NH1-O 2.99Å; R308-N321 HydrophobicContact CG-CB 4.39Å; R308-N321 WeakPolarHBondContact CG-OD1 3.5Å
309E70.3Confident80.1Confident121 Ų12150 Ų5057%0.56529%0.293SS*.THydrogen-bonded Turntrans-46.4-40.6178.5-68.7158.9-134.900116.3G307 F311G307-E309 VanDerWaalsContact C-N 3.26Å; E309-F311 PolarHBondContact O-N 3.21Å; E309-F311 VanDerWaalsContact O-N 3.14Å
310P71.3Confident80.2Confident80 Ų8051.4 Ų51.452%0.51930%0.298SS..THydrogen-bonded Turntrans-66.2-17.2179.425.6-35.4000113.1G307 Y327G307-P310 WeakPolarHBondContact O-CD 3.33Å; P310-Y327 PolarHBondContact O-OH 3.46Å
311F84.2Confident80.5Confident23 Ų2349.8 Ų49.810%0.10128%0.282CS..SBendtrans-98.7125179.5-55-51.4000111.6R308 E309 L313 H318 Q322 R323 Y327R308-F311 PolarHBondContact O-N 2.99Å; E309-F311 PolarHBondContact O-N 3.21Å; E309-F311 VanDerWaalsContact O-N 3.14Å; F311-L313 PolarHBondContact O-N 3.42Å; F311-H318 HydrophobicContact CB-CB 3.82Å; F311-Q322 VanDerWaalsContact CZ-C 3.44Å; F311-R323 HydrophobicContact CE1-CB 3.87Å; F311-R323 HydrophobicContact CE1-CG 4.06Å; F311-R323 HydrophobicContact CZ-CB 4.24Å; F311-Y327 WeakPolarHBondContact CA-OH 3.45Å; F311-Y327 HydrophobicContact CD1-CD1 4.27Å; F311-Y327 AromaticContact CD1-CE1 3.75Å; F311-Y327 HydrophobicContact CD1-CE1 3.75Å; F311-Y327 HydrophobicContact CE1-CE1 4.35Å
312Q87.6Confident80.5Confident46 Ų4649.3 Ų49.322%0.21528%0.28CS..PPolyproline II helixtrans-59127.6178.8-153.9-164.50.600110.3Q15 Y19 G314 T315 H318 Y327 L330Q15-Q312 HydrophobicContact CG-CG 4.27Å; Y19-Q312 HydrophobicContact CD2-CG 4.43Å; Y19-Q312 HydrophobicContact CE2-CG 3.68Å; Y19-Q312 WeakPolarHBondContact OH-CA 2.98Å; Q312-G314 PolarHBondContact O-N 3.48Å; Q312-T315 HydrophobicContact CB-CG2 3.86Å; Q312-T315 WeakPolarHBondContact O-CB 3.44Å; Q312-T315 VanDerWaalsContact O-CG2 3.31Å; Q312-T315 WeakPolarHBondContact O-CG2 3.33Å; Q312-T315 PolarHBondContact O-N 3.34Å; Q312-T315 VanDerWaalsContact O-N 3.16Å; Q312-T315 PolarHBondContact O-OG1 3.03Å; Q312-H318 VanDerWaalsContact O-CB 3.23Å; Q312-H318 WeakPolarHBondContact O-CB 3.42Å; Q312-Y327 HydrophobicContact CB-CE2 4.22Å; Q312-Y327 PolarHBondContact N-OH 3.11Å; Q312-L330 HydrophobicContact CG-CD1 3.79Å; Q312-L330 HydrophobicContact CG-CD2 4.38Å; Q312-L330 HydrophobicContact CG-CG 3.95Å
313L88.5Confident80.2Confident8 Ų845.5 Ų45.54%0.04226%0.261CS..THydrogen-bonded Turntrans-51.5133.6-175.6-67.8178.9000112.6Q15 Y18 Y19 T50 I54 F311 T315Q15-L313 VanDerWaalsContact CD-O 3.31Å; Q15-L313 HydrophobicContact CG-CB 4.37Å; Q15-L313 PolarHBondContact NE2-O 3.35Å; Y18-L313 HydrophobicContact CD1-CD1 3.42Å; Y18-L313 VanDerWaalsContact CD1-CD1 3.42Å; Y18-L313 HydrophobicContact CD1-CG 4.34Å; Y18-L313 HydrophobicContact CD2-CD1 4.07Å; Y18-L313 HydrophobicContact CE1-CD1 3.73Å; Y18-L313 HydrophobicContact CE1-CG 4.43Å; Y18-L313 HydrophobicContact CE2-CD1 4.31Å; Y18-L313 HydrophobicContact CG-CD1 3.59Å; Y19-L313 HydrophobicContact CE2-CB 4.44Å; Y19-L313 HydrophobicContact CE2-CG 4.37Å; Y19-L313 PolarHBondContact OH-N 3.07Å; Y19-L313 VanDerWaalsContact OH-N 3.14Å; T50-L313 HydrophobicContact CG2-CB 4.11Å; T50-L313 HydrophobicContact CG2-CD1 4.33Å; T50-L313 HydrophobicContact CG2-CD2 4.45Å; I54-L313 HydrophobicContact CD1-CD1 3.96Å; I54-L313 HydrophobicContact CG1-CD1 3.6Å; F311-L313 PolarHBondContact O-N 3.42Å; L313-T315 VanDerWaalsContact C-N 3.27Å; L313-T315 PolarHBondContact O-N 3.49Å
314G82.8Confident79.8Confident28 Ų2845.8 Ų45.829%0.28926%0.263SS..THydrogen-bonded Turntrans80.9-1176.600000115.1Q312 H318Q312-G314 PolarHBondContact O-N 3.48Å; G314-H318 PolarHBondContact N-ND1 3.06Å
315T87.2Confident79.6Confident30 Ų3047.2 Ų47.218%0.18427%0.268CS..SBendtrans-77161.4168.564.20000111.6Q312 L313 S317 H318 L319 Y327Q312-T315 HydrophobicContact CB-CG2 3.86Å; Q312-T315 WeakPolarHBondContact O-CB 3.44Å; Q312-T315 VanDerWaalsContact O-CG2 3.31Å; Q312-T315 WeakPolarHBondContact O-CG2 3.33Å; Q312-T315 PolarHBondContact O-N 3.34Å; Q312-T315 VanDerWaalsContact O-N 3.16Å; Q312-T315 PolarHBondContact O-OG1 3.03Å; L313-T315 VanDerWaalsContact C-N 3.27Å; L313-T315 PolarHBondContact O-N 3.49Å; T315-S317 PolarHBondContact O-N 3.29Å; T315-H318 WeakPolarHBondContact O-CB 3.19Å; T315-H318 PolarHBondContact O-N 3.03Å; T315-H318 PolarHBondContact OG1-N 2.94Å; T315-L319 PolarHBondContact O-N 2.76Å; T315-Y327 HydrophobicContact CG2-CD2 4.5Å; T315-Y327 HydrophobicContact CG2-CE2 4.08Å
316L85.9Confident79.4Confident121 Ų12157.5 Ų57.563%0.63431%0.306SS*.Hα-helixtrans-59.7-35.1173-71.3177.2000112.1H318 L319 L320L316-H318 VanDerWaalsContact C-N 3.34Å; L316-L319 PolarHBondContact O-N 2.91Å; L316-L320 PolarHBondContact O-N 3.39Å
317S84.1Confident79.6Confident2 Ų254.7 Ų54.71%0.01429%0.287CS..Hα-helixtrans-64.2-40.8177.4-57.90000112.2T315 N321 Q322 C324 Y327T315-S317 PolarHBondContact O-N 3.29Å; S317-N321 CarbonylContact O-C 3.57Å; S317-N321 VanDerWaalsContact O-CA 3.26Å; S317-N321 WeakPolarHBondContact O-CA 3.42Å; S317-N321 PolarHBondContact O-N 3.27Å; S317-Q322 CarbonylContact C-O 3.55Å; S317-Q322 WeakPolarHBondContact CA-O 3.25Å; S317-Q322 WeakPolarHBondContact CB-O 3.27Å; S317-Q322 PolarHBondContact O-N 3.41Å; S317-Q322 PolarHBondContact OG-O 2.88Å; S317-C324 PolarHBondContact OG-N 3.07Å; S317-Y327 VanDerWaalsContact OG-CB 3.24Å; S317-Y327 WeakPolarHBondContact OG-CB 3.45Å; S317-Y327 VanDerWaalsContact OG-CD2 3.25Å; S317-Y327 WeakPolarHBondContact OG-CD2 3.4Å
318H88.2Confident80.1Confident2 Ų260 Ų601%0.00931%0.311CS..Hα-helixtrans-65.4-44.4174.9168-100.2000112S53 R308 F311 Q312 G314 T315 L316 N321S53-H318 WeakPolarHBondContact CB-NE2 3.35Å; S53-H318 PolarHBondContact OG-NE2 3.43Å; R308-H318 PolarHBondContact NH1-O 3.46Å; F311-H318 HydrophobicContact CB-CB 3.82Å; Q312-H318 VanDerWaalsContact O-CB 3.23Å; Q312-H318 WeakPolarHBondContact O-CB 3.42Å; G314-H318 PolarHBondContact N-ND1 3.06Å; T315-H318 WeakPolarHBondContact O-CB 3.19Å; T315-H318 PolarHBondContact O-N 3.03Å; T315-H318 PolarHBondContact OG1-N 2.94Å; L316-H318 VanDerWaalsContact C-N 3.34Å; H318-N321 PolarHBondContact O-N 2.9Å
319L87.5Confident80.2Confident57 Ų5762.4 Ų62.430%0.29833%0.326SS..Hα-helixtrans-60.3-49.6179.1-17964000112I46 T49 R308 T315 L316 N321I46-L319 HydrophobicContact CG1-CD2 4.28Å; T49-L319 HydrophobicContact CG2-CD1 3.85Å; R308-L319 PolarHBondContact NH1-O 2.99Å; T315-L319 PolarHBondContact O-N 2.76Å; L316-L319 PolarHBondContact O-N 2.91Å; L319-N321 VanDerWaalsContact C-N 3.31Å
320L82.7Confident80.7Confident65 Ų6560.5 Ų60.534%0.3432%0.32SS..Hα-helixtrans-85-3.9-177.8-60.5-179.5000113.5L316 Q322 L550L316-L320 PolarHBondContact O-N 3.39Å; L320-Q322 HydrophobicContact CB-CG 3.7Å; L320-Q322 PolarHBondContact O-N 3.1Å; L320-L550 HydrophobicContact CD1-CD2 3.97Å
321N79.6Confident81Confident60 Ų6061.9 Ų61.932%0.32133%0.329SS..THydrogen-bonded Turntrans49.743.9-172.8-165.121.6000113.3R308 S317 H318 L319R308-N321 HydrophobicContact CG-CB 4.39Å; R308-N321 WeakPolarHBondContact CG-OD1 3.5Å; S317-N321 CarbonylContact O-C 3.57Å; S317-N321 VanDerWaalsContact O-CA 3.26Å; S317-N321 WeakPolarHBondContact O-CA 3.42Å; S317-N321 PolarHBondContact O-N 3.27Å; H318-N321 PolarHBondContact O-N 2.9Å; L319-N321 VanDerWaalsContact C-N 3.31Å
322Q74.2Confident80.7Confident8 Ų866.6 Ų66.64%0.03736%0.362CS..SBendtrans-152.7154178.862.4177.9-10.800110.7F311 S317 L320 C324 H549 D553F311-Q322 VanDerWaalsContact CZ-C 3.44Å; S317-Q322 CarbonylContact C-O 3.55Å; S317-Q322 WeakPolarHBondContact CA-O 3.25Å; S317-Q322 WeakPolarHBondContact CB-O 3.27Å; S317-Q322 PolarHBondContact O-N 3.41Å; S317-Q322 PolarHBondContact OG-O 2.88Å; L320-Q322 HydrophobicContact CB-CG 3.7Å; L320-Q322 PolarHBondContact O-N 3.1Å; Q322-C324 PolarHBondContact O-N 3.07Å; Q322-H549 PolarHBondContact NE2-O 2.67Å; Q322-D553 WeakPolarHBondContact CB-OD1 3.5Å; Q322-D553 PolarHBondContact OE1-OD1 3.32Å
323R70.6Confident80.2Confident70 Ų7073.3 Ų73.326%0.26439%0.391SS..  trans-75.398.4179.8-152.9167.4-154.3-69.7-2.9110.5F311 Y327 D329 V516F311-R323 HydrophobicContact CE1-CB 3.87Å; F311-R323 HydrophobicContact CE1-CG 4.06Å; F311-R323 HydrophobicContact CZ-CB 4.24Å; R323-Y327 HydrophobicContact CG-CD1 3.84Å; R323-Y327 PolarHBondContact NH1-O 3.17Å; R323-D329 IonicContact CZ-OD1 3.74Å; R323-D329 IonicContact CZ-OD2 2.66Å; R323-D329 IonicContact NE-OD1 2.66Å; R323-D329 IonicContact NE-OD2 3.51Å; R323-D329 IonicContact NH2-OD1 3.82Å; R323-D329 PolarHBondContact NH2-OD1 2.88Å; R323-D329 IonicContact NH2-OD2 3.06Å; R323-D329 PolarHBondContact NH2-OD2 2.76Å; R323-V516 WeakPolarHBondContact CD-O 3.48Å
324C75.4Confident79.9Confident21 Ų2176 Ų7614%0.14241%0.414CS..  trans-72158.2178.5-65.70000111.9S317 Q322 R326 Y327S317-C324 PolarHBondContact OG-N 3.07Å; Q322-C324 PolarHBondContact O-N 3.07Å; C324-R326 PolarHBondContact O-N 3.16Å; C324-Y327 VanDerWaalsContact O-CB 3.24Å; C324-Y327 WeakPolarHBondContact O-CB 3.31Å; C324-Y327 PolarHBondContact O-N 2.97Å; C324-Y327 VanDerWaalsContact O-N 3.13Å
325A72.9Confident79.9Confident87 Ų8783.9 Ų83.972%0.71944%0.443SS*.THydrogen-bonded Turntrans-56.5136.9176.600000111.2Y327A325-Y327 PolarHBondContact O-N 2.83Å
326R76.2Confident79.9Confident241 Ų24188 Ų8891%0.90947%0.468SS*.THydrogen-bonded Turntrans64.612.2-177.3-50.5-179.6176.3-177.1-1.5115.5C324 N328C324-R326 PolarHBondContact O-N 3.16Å; R326-N328 PolarHBondContact O-N 2.99Å
327Y76.9Confident79.6Confident22 Ų2287.5 Ų87.59%0.08647%0.472CS..  trans-68.1127.9167.9179.6-103.8000109.8P310 F311 Q312 T315 S317 R323 C324 A325 D329P310-Y327 PolarHBondContact O-OH 3.46Å; F311-Y327 WeakPolarHBondContact CA-OH 3.45Å; F311-Y327 HydrophobicContact CD1-CD1 4.27Å; F311-Y327 AromaticContact CD1-CE1 3.75Å; F311-Y327 HydrophobicContact CD1-CE1 3.75Å; F311-Y327 HydrophobicContact CE1-CE1 4.35Å; Q312-Y327 HydrophobicContact CB-CE2 4.22Å; Q312-Y327 PolarHBondContact N-OH 3.11Å; T315-Y327 HydrophobicContact CG2-CD2 4.5Å; T315-Y327 HydrophobicContact CG2-CE2 4.08Å; S317-Y327 VanDerWaalsContact OG-CB 3.24Å; S317-Y327 WeakPolarHBondContact OG-CB 3.45Å; S317-Y327 VanDerWaalsContact OG-CD2 3.25Å; S317-Y327 WeakPolarHBondContact OG-CD2 3.4Å; R323-Y327 HydrophobicContact CG-CD1 3.84Å; R323-Y327 PolarHBondContact NH1-O 3.17Å; C324-Y327 VanDerWaalsContact O-CB 3.24Å; C324-Y327 WeakPolarHBondContact O-CB 3.31Å; C324-Y327 PolarHBondContact O-N 2.97Å; C324-Y327 VanDerWaalsContact O-N 3.13Å; A325-Y327 PolarHBondContact O-N 2.83Å; Y327-D329 WeakPolarHBondContact CE1-OD1 3.48Å
328N79.1Confident79.4Confident130 Ų13090.6 Ų90.670%0.69549%0.494SS*.  trans-113131176.2-63.3-36.6000107.3R326R326-N328 PolarHBondContact O-N 2.99Å
329D80.2Confident79Confident88 Ų8895 Ų9547%0.47152%0.518SS..PPolyproline II helixtrans-65.5153.8176.7-65.3-38.2000110R323 Y327 P331R323-D329 IonicContact CZ-OD1 3.74Å; R323-D329 IonicContact CZ-OD2 2.66Å; R323-D329 IonicContact NE-OD1 2.66Å; R323-D329 IonicContact NE-OD2 3.51Å; R323-D329 IonicContact NH2-OD1 3.82Å; R323-D329 PolarHBondContact NH2-OD1 2.88Å; R323-D329 IonicContact NH2-OD2 3.06Å; R323-D329 PolarHBondContact NH2-OD2 2.76Å; Y327-D329 WeakPolarHBondContact CE1-OD1 3.48Å; D329-P331 WeakPolarHBondContact O-CD 3.47Å
330L78.9Confident78.6Confident81 Ų8197.2 Ų97.242%0.42454%0.536SS..PPolyproline II helixtrans-58.9128165.8-80.6173.3000108.5Y19 Q312Y19-L330 HydrophobicContact CD1-CD1 4.05Å; Y19-L330 HydrophobicContact CD2-CD1 4.04Å; Y19-L330 HydrophobicContact CE1-CD1 4.09Å; Y19-L330 HydrophobicContact CE2-CD1 4.1Å; Y19-L330 HydrophobicContact CG-CD1 4.04Å; Q312-L330 HydrophobicContact CG-CD1 3.79Å; Q312-L330 HydrophobicContact CG-CD2 4.38Å; Q312-L330 HydrophobicContact CG-CG 3.95Å
331P78.1Confident78.4Confident110 Ų11097.2 Ų97.271%0.71454%0.541SS*.PPolyproline II helixtrans-55.6145.4171.5-23.733.5000110.4D329D329-P331 WeakPolarHBondContact O-CD 3.47Å
332P78.5Confident78.1Confident121 Ų121100.9 Ų100.979%0.78656%0.56SS**PPolyproline II helixtrans-58.8154.4173.326.9-34.5000110.4A334P332-A334 PolarHBondContact O-N 3.01Å
333F77.4Confident77.9Confident188 Ų188108.6 Ų108.683%0.82559%0.589SS**PPolyproline II helixtrans-58.2129.8177.5-167.2-89.2000110E335F333-E335 PolarHBondContact O-N 2.76Å
334A81.3Confident77.5Confident65 Ų65112 Ų11254%0.53761%0.612SS.*PPolyproline II helixtrans-67.4119.2-178.600000110.4P332 T336P332-A334 PolarHBondContact O-N 3.01Å; A334-T336 VanDerWaalsContact C-N 3.33Å
335E84.1Confident76.8Confident193 Ų193116.8 Ų116.890%0.90264%0.64SS**SBendtrans-66.7-37.6176.9-64.5-172.5167.600111.8F333F333-E335 PolarHBondContact O-N 2.76Å
336T86.3Confident76Confident115 Ų115115.3 Ų115.371%0.70663%0.634SS**SBendtrans-92.6120.6173.944.40000109.7A334 S338A334-T336 VanDerWaalsContact C-N 3.33Å; T336-S338 PolarHBondContact O-N 3.44Å
337P79Confident75.1Confident111 Ų111112.3 Ų112.372%0.72163%0.63SS**PPolyproline II helixtrans-61.6140.7174.524.8-31.8000109.7
338S79.7Confident73.8Confident67 Ų67118.3 Ų118.347%0.46966%0.661SS.*PPolyproline II helixtrans-62152.3171.641.10000111.2T336T336-S338 PolarHBondContact O-N 3.44Å
339D80.6Confident72.5Confident94 Ų94118.3 Ų118.350%0.50366%0.659SS.*PPolyproline II helixtrans-51.3124.3178.5-172.3-32.8000110.4S341 L342D339-S341 PolarHBondContact O-N 2.9Å; D339-S341 VanDerWaalsContact O-N 3.08Å; D339-S341 WeakPolarHBondContact OD1-CB 3.44Å; D339-S341 PolarHBondContact OD1-N 3.1Å; D339-S341 PolarHBondContact OD1-OG 3.12Å; D339-S341 PolarHBondContact OD2-OG 2.85Å; D339-L342 HydrophobicContact CB-CD1 4.33Å; D339-L342 HydrophobicContact CB-CG 4.33Å; D339-L342 WeakPolarHBondContact O-CB 3.38Å; D339-L342 PolarHBondContact O-N 3.39Å
340P78.3Confident71.2Confident104 Ų104119 Ų11968%0.67566%0.659SS**G310 helixtrans-52.9-28.6178.8-27.434.8000114.2L342 R343P340-L342 PolarHBondContact O-N 3.11Å; P340-R343 WeakPolarHBondContact O-CB 3.32Å; P340-R343 PolarHBondContact O-N 2.89Å
341S78.6Confident70Confident65 Ų65123.4 Ų123.446%0.45568%0.677SS.*G310 helixtrans-64.4-24177620000113.6D339 R343 D344D339-S341 PolarHBondContact O-N 2.9Å; D339-S341 VanDerWaalsContact O-N 3.08Å; D339-S341 WeakPolarHBondContact OD1-CB 3.44Å; D339-S341 PolarHBondContact OD1-N 3.1Å; D339-S341 PolarHBondContact OD1-OG 3.12Å; D339-S341 PolarHBondContact OD2-OG 2.85Å; S341-R343 PolarHBondContact O-N 2.87Å; S341-D344 WeakPolarHBondContact O-CB 3.47Å; S341-D344 PolarHBondContact O-N 2.87Å
342L73.2Confident69Low138 Ų138122.7 Ų122.772%0.72367%0.667SS**G310 helixtrans-70.4-19.9172.8-65.3173.1000112.4D339 P340 D344D339-L342 HydrophobicContact CB-CD1 4.33Å; D339-L342 HydrophobicContact CB-CG 4.33Å; D339-L342 WeakPolarHBondContact O-CB 3.38Å; D339-L342 PolarHBondContact O-N 3.39Å; P340-L342 PolarHBondContact O-N 3.11Å; L342-D344 VanDerWaalsContact C-N 3.27Å
343R70.1Confident68.2Low170 Ų170125 Ų12564%0.64266%0.664SS**G310 helixtrans-94.628.4174.5-56.2-176.3-176.8-172.7-0.4111.2P340 S341 V345P340-R343 WeakPolarHBondContact O-CB 3.32Å; P340-R343 PolarHBondContact O-N 2.89Å; S341-R343 PolarHBondContact O-N 2.87Å; R343-V345 WeakPolarHBondContact O-CG2 3.48Å; R343-V345 PolarHBondContact O-N 2.96Å
344D63.4Low67.6Low140 Ų140125.7 Ų125.775%0.74966%0.662SS**  trans-47.691.4-179.8-111.5-7.9000109.8S341 L342 G346S341-D344 WeakPolarHBondContact O-CB 3.47Å; S341-D344 PolarHBondContact O-N 2.87Å; L342-D344 VanDerWaalsContact C-N 3.27Å; D344-G346 PolarHBondContact O-N 3.47Å
345V59.9Low66.4Low122 Ų122128 Ų12874%0.73966%0.663SS**  trans-77.479.5172.3-170.10000101.6R343 E347R343-V345 WeakPolarHBondContact O-CG2 3.48Å; R343-V345 PolarHBondContact O-N 2.96Å; V345-E347 PolarHBondContact O-N 3.35Å
346G56.8Low65.4Low56 Ų56121 Ų12158%0.57763%0.633SS**  trans-44.7124.7171.300000106D344 M348D344-G346 PolarHBondContact O-N 3.47Å; G346-M348 PolarHBondContact O-N 2.94Å
347E56.7Low64.5Low178 Ų178121.1 Ų121.183%0.83263%0.625SS**  trans-38.7118.1175.3-85.5-176.4148.100106V345 I349V345-E347 PolarHBondContact O-N 3.35Å; E347-I349 VanDerWaalsContact O-CG1 3.27Å; E347-I349 WeakPolarHBondContact O-CG1 3.21Å; E347-I349 PolarHBondContact O-N 3.34Å
348M49.4Very low64Low148 Ų148122.6 Ų122.673%0.72962%0.621SS**  trans-59.997-175.3-81.5175.5165.400106.8G346 F350G346-M348 PolarHBondContact O-N 2.94Å; M348-F350 HydrophobicContact CB-CD2 3.68Å; M348-F350 HydrophobicContact CB-CE2 3.92Å; M348-F350 HydrophobicContact CG-CD2 4.39Å; M348-F350 HydrophobicContact CG-CE2 4.11Å; M348-F350 PolarHBondContact O-N 3.19Å; M348-F350 HydrophobicContact SD-CD2 4.25Å; M348-F350 HydrophobicContact SD-CE2 3.57Å; M348-F350 VanDerWaalsContact SD-CE2 3.57Å
349I53.1Low63Low131 Ų131124.4 Ų124.467%0.67263%0.625SS**  trans-74.469.1172.9-52.5-177.9000104.6E347 Q351E347-I349 VanDerWaalsContact O-CG1 3.27Å; E347-I349 WeakPolarHBondContact O-CG1 3.21Å; E347-I349 PolarHBondContact O-N 3.34Å; I349-Q351 HydrophobicContact CG2-CB 4.2Å; I349-Q351 HydrophobicContact CG2-CG 3.53Å; I349-Q351 PolarHBondContact O-N 3.44Å
350F52.2Low62.4Low103 Ų103124.8 Ų124.845%0.45262%0.623SS.*  trans-69.675.6158.7-81.1-75.6000106.3M348 D352 V356M348-F350 HydrophobicContact CB-CD2 3.68Å; M348-F350 HydrophobicContact CB-CE2 3.92Å; M348-F350 HydrophobicContact CG-CD2 4.39Å; M348-F350 HydrophobicContact CG-CE2 4.11Å; M348-F350 PolarHBondContact O-N 3.19Å; M348-F350 HydrophobicContact SD-CD2 4.25Å; M348-F350 HydrophobicContact SD-CE2 3.57Å; M348-F350 VanDerWaalsContact SD-CE2 3.57Å; F350-D352 PolarHBondContact O-N 3.32Å; F350-V356 HydrophobicContact CB-CG2 3.39Å; F350-V356 HydrophobicContact CD1-CG2 3.84Å; F350-V356 HydrophobicContact CD2-CG2 4.05Å; F350-V356 HydrophobicContact CG-CG2 3.51Å
351Q54.2Low61.9Low172 Ų172124.3 Ų124.380%0.80462%0.615SS**  trans-60.8-20.1169.5-99.9169.725.300111I349 K353I349-Q351 HydrophobicContact CG2-CB 4.2Å; I349-Q351 HydrophobicContact CG2-CG 3.53Å; I349-Q351 PolarHBondContact O-N 3.44Å; Q351-K353 PolarHBondContact O-N 2.87Å
352D55.4Low61.2Low96 Ų96126.6 Ų126.651%0.51362%0.622SS.*  trans-92.880.4176-130.7-20.6000111.2F350 R354 M355 V356F350-D352 PolarHBondContact O-N 3.32Å; D352-R354 PolarHBondContact O-N 3.49Å; D352-M355 HydrophobicContact CB-CB 4.4Å; D352-M355 PolarHBondContact O-N 3.42Å; D352-V356 PolarHBondContact O-N 2.94Å
353K61.8Low60.6Low168 Ų168130.3 Ų130.373%0.7363%0.626SS**Hα-helixtrans-48.4-28.2172.5-73.6-175.2176.4-177.30112.7Q351 Q357Q351-K353 PolarHBondContact O-N 2.87Å; K353-Q357 WeakPolarHBondContact O-CB 3.32Å; K353-Q357 PolarHBondContact O-N 2.91Å
354R64.8Low60Low204 Ų204129.8 Ų129.877%0.7763%0.631SS**Hα-helixtrans-63-39.6175.1-77.4-177.8172.2-174.8-1.4113D352 K358D352-R354 PolarHBondContact O-N 3.49Å; R354-K358 VanDerWaalsContact O-CB 3.3Å; R354-K358 WeakPolarHBondContact O-CB 3.28Å; R354-K358 PolarHBondContact O-N 3.42Å
355M57.8Low59.4Low114 Ų114126 Ų12656%0.56262%0.619SS**Hα-helixtrans-74.8-37.2-178.3-159.2-174.8-83.200110.7D352 K358 L359D352-M355 HydrophobicContact CB-CB 4.4Å; D352-M355 PolarHBondContact O-N 3.42Å; M355-K358 PolarHBondContact O-N 3.34Å; M355-L359 WeakPolarHBondContact O-CB 3.1Å; M355-L359 PolarHBondContact O-N 3.06Å
356V62.9Low58.5Low46 Ų46123.1 Ų123.128%0.27961%0.614SS.*Hα-helixtrans-63.7-48.3173.5-178.20000110.7F350 D352 K358 L359 E360F350-V356 HydrophobicContact CB-CG2 3.39Å; F350-V356 HydrophobicContact CD1-CG2 3.84Å; F350-V356 HydrophobicContact CD2-CG2 4.05Å; F350-V356 HydrophobicContact CG-CG2 3.51Å; D352-V356 PolarHBondContact O-N 2.94Å; V356-K358 VanDerWaalsContact C-N 3.3Å; V356-K358 PolarHBondContact O-N 3.3Å; V356-L359 WeakPolarHBondContact O-CB 3.44Å; V356-L359 PolarHBondContact O-N 3.43Å; V356-L359 VanDerWaalsContact O-N 3.09Å; V356-E360 PolarHBondContact O-N 3.42Å
357Q66.9Low57.9Low116 Ų116125.9 Ų125.954%0.54262%0.62SS.*Hα-helixtrans-58.3-42.5173.6-88.1178.2-30.300111.5K353 L359 E360 D361K353-Q357 WeakPolarHBondContact O-CB 3.32Å; K353-Q357 PolarHBondContact O-N 2.91Å; Q357-L359 VanDerWaalsContact C-N 3.28Å; Q357-L359 PolarHBondContact O-N 3.24Å; Q357-E360 CarbonylContact O-C 3.6Å; Q357-E360 PolarHBondContact O-N 3.19Å; Q357-D361 VanDerWaalsContact O-CB 3.25Å; Q357-D361 WeakPolarHBondContact O-CB 3.3Å; Q357-D361 PolarHBondContact O-N 2.88Å
358K67.8Low57Low143 Ų143121.7 Ų121.762%0.62261%0.61SS**Hα-helixtrans-64.4-33.2177.3-156.5177-171.2-178.90112.7R354 M355 V356 L362R354-K358 VanDerWaalsContact O-CB 3.3Å; R354-K358 WeakPolarHBondContact O-CB 3.28Å; R354-K358 PolarHBondContact O-N 3.42Å; M355-K358 PolarHBondContact O-N 3.34Å; V356-K358 VanDerWaalsContact C-N 3.3Å; V356-K358 PolarHBondContact O-N 3.3Å; K358-L362 WeakPolarHBondContact O-CB 3.41Å; K358-L362 WeakPolarHBondContact O-CD1 3.35Å; K358-L362 VanDerWaalsContact O-CG 3.31Å; K358-L362 WeakPolarHBondContact O-CG 3.18Å; K358-L362 PolarHBondContact O-N 3.24Å
359L60.2Low56.4Low105 Ų105121.7 Ų121.755%0.5561%0.61SS.*Hα-helixtrans-74.3-38.4176-13987.1000111.7M355 V356 Q357 L362 R363M355-L359 WeakPolarHBondContact O-CB 3.1Å; M355-L359 PolarHBondContact O-N 3.06Å; V356-L359 WeakPolarHBondContact O-CB 3.44Å; V356-L359 PolarHBondContact O-N 3.43Å; V356-L359 VanDerWaalsContact O-N 3.09Å; Q357-L359 VanDerWaalsContact C-N 3.28Å; Q357-L359 PolarHBondContact O-N 3.24Å; L359-L362 PolarHBondContact O-N 3.48Å; L359-R363 PolarHBondContact O-N 3.16Å
360E67Low55.4Low101 Ų101117.2 Ų117.247%0.47260%0.596SS.*Hα-helixtrans-66.7-41.8172.3-78.3176.9152.300111.1V356 Q357 L362 R363 Q364V356-E360 PolarHBondContact O-N 3.42Å; Q357-E360 CarbonylContact O-C 3.6Å; Q357-E360 PolarHBondContact O-N 3.19Å; E360-L362 VanDerWaalsContact C-N 3.31Å; E360-L362 PolarHBondContact O-N 3.07Å; E360-R363 CarbonylContact O-C 3.57Å; E360-R363 PolarHBondContact O-N 3.22Å; E360-R363 VanDerWaalsContact O-N 3.13Å; E360-Q364 VanDerWaalsContact O-CB 3.28Å; E360-Q364 WeakPolarHBondContact O-CB 3.07Å; E360-Q364 WeakPolarHBondContact O-CG 3.35Å; E360-Q364 PolarHBondContact O-N 3.47Å
361D67.8Low54.5Low95 Ų95117 Ų11751%0.50861%0.607SS.*Hα-helixtrans-62.7-37.6172.8-69.8-20.9000110.6Q357 R363 A365Q357-D361 VanDerWaalsContact O-CB 3.25Å; Q357-D361 WeakPolarHBondContact O-CB 3.3Å; Q357-D361 PolarHBondContact O-N 2.88Å; D361-R363 VanDerWaalsContact C-N 3.35Å; D361-A365 WeakPolarHBondContact O-CA 3.04Å; D361-A365 WeakPolarHBondContact O-CB 3.28Å; D361-A365 PolarHBondContact O-N 3.07Å
362L64Low53.6Low113 Ų113114.7 Ų114.759%0.59261%0.605SS**Hα-helixtrans-71.9-26.2174-84.1161.1000113.5K358 L359 E360K358-L362 WeakPolarHBondContact O-CB 3.41Å; K358-L362 WeakPolarHBondContact O-CD1 3.35Å; K358-L362 VanDerWaalsContact O-CG 3.31Å; K358-L362 WeakPolarHBondContact O-CG 3.18Å; K358-L362 PolarHBondContact O-N 3.24Å; L359-L362 PolarHBondContact O-N 3.48Å; E360-L362 VanDerWaalsContact C-N 3.31Å; E360-L362 PolarHBondContact O-N 3.07Å
363R61.3Low52.6Low215 Ų215116.5 Ų116.581%0.81161%0.614SS**Hα-helixtrans-80.6-38.5172.7-89-178.8160179.7-4.6111.9L359 E360 D361L359-R363 PolarHBondContact O-N 3.16Å; E360-R363 CarbonylContact O-C 3.57Å; E360-R363 PolarHBondContact O-N 3.22Å; E360-R363 VanDerWaalsContact O-N 3.13Å; D361-R363 VanDerWaalsContact C-N 3.35Å
364Q57.9Low51.5Low159 Ų159113.8 Ų113.874%0.74360%0.603SS**Hα-helixtrans-83.2-35.2-178.5-74.7-176.611.500112.8E360 G366E360-Q364 VanDerWaalsContact O-CB 3.28Å; E360-Q364 WeakPolarHBondContact O-CB 3.07Å; E360-Q364 WeakPolarHBondContact O-CG 3.35Å; E360-Q364 PolarHBondContact O-N 3.47Å; Q364-G366 PolarHBondContact O-N 3.41Å
365A50.8Low50.1Low60 Ų60112.2 Ų112.250%0.49660%0.604SS.*THydrogen-bonded Turntrans-67.578.7155.200000105D361 V367D361-A365 WeakPolarHBondContact O-CA 3.04Å; D361-A365 WeakPolarHBondContact O-CB 3.28Å; D361-A365 PolarHBondContact O-N 3.07Å; A365-V367 PolarHBondContact O-N 3.49Å
366G40.6Very low49.1Very low62 Ų62115 Ų11564%0.63962%0.616SS**THydrogen-bonded Turntrans-5685.1168.100000106.6Q364 S368Q364-G366 PolarHBondContact O-N 3.41Å; G366-S368 PolarHBondContact O-N 2.99Å
367V42.7Very low47.9Very low115 Ų115115.6 Ų115.670%0.69762%0.617SS**  trans-62.184.8146.8-175.90000101.6A365 M369A365-V367 PolarHBondContact O-N 3.49Å; V367-M369 PolarHBondContact O-N 3.14Å
368S38.1Very low46.4Very low89 Ų89114.5 Ų114.562%0.62262%0.62SS**  trans-43.895.4156.3179.60000104.2G366 G370G366-S368 PolarHBondContact O-N 2.99Å; S368-G370 PolarHBondContact O-N 3.43Å; S368-G370 PolarHBondContact OG-N 2.9Å
369M38.5Very low44.7Very low149 Ų149115.2 Ų115.273%0.73463%0.63SS**  trans-68.523.1156.1-83-158.5-69.600109.2V367 S371V367-M369 PolarHBondContact O-N 3.14Å; M369-S371 PolarHBondContact O-N 2.89Å
370G30.3Very low43.2Very low36 Ų36117.8 Ų117.837%0.37164%0.64SS.*SBendtrans-53.4112.1155.300000106.5S368 T372S368-G370 PolarHBondContact O-N 3.43Å; S368-G370 PolarHBondContact OG-N 2.9Å; G370-T372 PolarHBondContact O-N 3.43Å
371S34Very low41.5Very low98 Ų98117.9 Ų117.969%0.68566%0.658SS**  trans1968.1151.958.60000112.6M369 D373M369-S371 PolarHBondContact O-N 2.89Å; S371-D373 PolarHBondContact O-N 2.82Å
372T35.5Very low39.6Very low124 Ų124117 Ų11776%0.76166%0.659SS**  trans-65.9101.8152.4-400000100.8G370 F374G370-T372 PolarHBondContact O-N 3.43Å; T372-F374 PolarHBondContact O-N 3.45Å; T372-F374 VanDerWaalsContact O-N 3.16Å
373D35.2Very low38Very low134 Ų134119 Ų11972%0.71767%0.67SS**  trans-34.1126.3171.9-72.7-47.7000106.2S371 E375S371-D373 PolarHBondContact O-N 2.82Å; D373-E375 PolarHBondContact O-N 3.48Å
374F37.5Very low36.5Very low111 Ų111113.9 Ų113.949%0.48767%0.674SS.*  trans-58.987.5173.3-170-96.7000105T372 E376 I377T372-F374 PolarHBondContact O-N 3.45Å; T372-F374 VanDerWaalsContact O-N 3.16Å; F374-E376 PolarHBondContact O-N 3.35Å; F374-I377 HydrophobicContact CE1-CD1 3.72Å; F374-I377 HydrophobicContact CE1-CG1 3.56Å; F374-I377 HydrophobicContact CZ-CD1 3.74Å; F374-I377 HydrophobicContact CZ-CG1 3.72Å
375E35.7Very low35.1Very low172 Ų172111.9 Ų111.980%0.80468%0.678SS**  trans-50.4116.6167.6-79.9-173.2163.700103.2D373 I377D373-E375 PolarHBondContact O-N 3.48Å; E375-I377 PolarHBondContact O-N 3Å
376E37.2Very low34.1Very low172 Ų172113.6 Ų113.680%0.80469%0.692SS**  trans-36127.4-179.4-68.7174.4142.100108.3F374 P378F374-E376 PolarHBondContact O-N 3.35Å; E376-P378 WeakPolarHBondContact O-CD 3.46Å; E376-P378 WeakPolarHBondContact O-CG 3.44Å
377I38Very low33.4Very low59 Ų59116 Ų11630%0.30370%0.699SS.*  trans-48.5108174.2-61.4161.7000106F374 E375 N379F374-I377 HydrophobicContact CE1-CD1 3.72Å; F374-I377 HydrophobicContact CE1-CG1 3.56Å; F374-I377 HydrophobicContact CZ-CD1 3.74Å; F374-I377 HydrophobicContact CZ-CG1 3.72Å; E375-I377 PolarHBondContact O-N 3Å; I377-N379 PolarHBondContact O-N 3.37Å
378P34.8Very low33Very low93 Ų93116 Ų11660%0.60470%0.704SS**  trans-66.5131.9-169.2-21.433.3000108E376 E380E376-P378 WeakPolarHBondContact O-CD 3.46Å; E376-P378 WeakPolarHBondContact O-CG 3.44Å; P378-E380 HydrophobicContact CB-CB 4.38Å; P378-E380 HydrophobicContact CB-CG 3.69Å; P378-E380 PolarHBondContact O-N 3.14Å
379N30.8Very low32.4Very low157 Ų157118.6 Ų118.684%0.8471%0.711SS**  trans-70.960.7167.8-77.3-24.4000109.1I377 A381I377-N379 PolarHBondContact O-N 3.37Å; N379-A381 PolarHBondContact O-N 3.48Å
380E28.9Very low32.3Very low160 Ų160120.6 Ų120.675%0.74872%0.718SS**  trans-97.775.8178.3-73.3-85.6157.300107.8P378P378-E380 HydrophobicContact CB-CB 4.38Å; P378-E380 HydrophobicContact CB-CG 3.69Å; P378-E380 PolarHBondContact O-N 3.14Å
381A31.3Very low32.2Very low103 Ų103127.5 Ų127.585%0.85174%0.741SS**  trans-121.653.4162.300000108.7N379N379-A381 PolarHBondContact O-N 3.48Å
382S29.5Very low32.3Very low77 Ų77128.1 Ų128.154%0.53875%0.745SS.*SBendtrans-155.313316350.20000107.5
383D28.7Very low32Very low154 Ų154127.2 Ų127.282%0.82474%0.744SS**  trans86.459.7167.2-48.9-22.5000118.1
384A31.1Very low31.9Very low107 Ų107130 Ų13088%0.88475%0.753SS**  trans-116.676.8146.200000109.8
385S27.4Very low31.4Very low118 Ų118132.9 Ų132.983%0.82577%0.768SS**  trans-74.5110.7159.951.60000109.3
386A31Very low31.1Very low95 Ų95131 Ų13179%0.78577%0.768SS**  trans-148.1103.5162.400000109.7
387S25.6Very low30.9Very low113 Ų113127.2 Ų127.279%0.7976%0.76SS**  trans-18.5131.516260.30000117.3
388S33.3Very low30.5Very low116 Ų116132.8 Ų132.881%0.81179%0.785SS**  -159.5109.8126.456.30000109.1
389D26.4Very low30.5Very low142 Ų142136.6 Ų136.676%0.75980%0.795SS**  trans-54.2130.5169.8-55.6-70.6000111.5
390E35.6Very low30.5Very low192 Ų192136.9 Ų136.990%0.89779%0.791SS**  trans-136.4115.4148.7-85.8-68.2165.200107.1
391Q29.2Very low30.8Very low180 Ų180134.4 Ų134.484%0.84179%0.791SS**  trans-76.6127.8-176.2-64.3169.6-20.400109.3
392S35.3Very low30.9Very low112 Ų112136.5 Ų136.578%0.78379%0.788SS**  trans-147.795.3153.2-175.80000108.9
393S28.7Very low31Very low104 Ų104136.4 Ų136.473%0.72780%0.8SS**  trans-64.4118.1167.748.40000110.8
394E33.3Very low31.3Very low193 Ų193135 Ų13590%0.90280%0.797SS**  trans-124.5110.7145.6-76.7-164.5164.700107.6
395E27.9Very low31.4Very low171 Ų171137.8 Ų137.880%0.79980%0.797SS**  trans-82.9167.3172.9-65.3-169.715700110.5
396V30.1Very low32Very low133 Ų133140.2 Ų140.281%0.80680%0.795SS**  trans88121.9162.3-164.40000112.9
397S31.7Very low32.1Very low93 Ų93142.9 Ų142.965%0.6580%0.796SS**  cis-159.7139.219.8340000109.5
398E30.3Very low32.4Very low176 Ų176142 Ų14282%0.82280%0.796SS**  trans-76.8123.1163.7-61.2-160.6165.300109.9
399E34.7Very low32.5Very low172 Ų172141.9 Ų141.980%0.80480%0.795SS**  trans-107.986.7164.3-77.8-89162.100107.1S401E399-S401 PolarHBondContact O-N 2.98Å
400E30.9Very low32.6Very low164 Ų164143.9 Ų143.977%0.76680%0.8SS**  trans-63.1104.3159.4-81.4-85.5164.100108.1
401S35.8Very low32.5Very low107 Ų107140.1 Ų140.175%0.74880%0.795SS**  trans-113112.1164.759.70000109.9E399E399-S401 PolarHBondContact O-N 2.98Å
402N33.2Very low32.5Very low147 Ų147136.8 Ų136.879%0.78679%0.791SS**  trans-37.2143.1178-74.8-60.4000115.5
403G30.3Very low32.5Very low76 Ų76135.8 Ų135.878%0.78479%0.79SS**  trans-57.3143.6164.800000112.7
404T35.3Very low32.5Very low124 Ų124139.8 Ų139.876%0.76180%0.797SS**  trans-121.999.4160.2-7.70000106.2E406T404-E406 PolarHBondContact O-N 2.99Å
405D32.7Very low32.6Very low166 Ų166137.2 Ų137.289%0.88880%0.795SS**  trans-65.1105.7159.2-72-48.4000107.1
406E40.4Very low32.8Very low169 Ų169133.7 Ų133.779%0.7980%0.795SS**  trans-11099.6166.7-80.4-92.2162.900108T404T404-E406 PolarHBondContact O-N 2.99Å
407D34.3Very low32.9Very low150 Ų150135.6 Ų135.680%0.80280%0.795SS**  trans8.5137.3153.8-71.4-52.4000121.2
408A30.4Very low32.9Very low96 Ų96136.5 Ų136.579%0.79380%0.801SS**  trans-52.3131.5168.300000113.4
409S36Very low33Very low113 Ų113135.3 Ų135.379%0.7980%0.796SS**  trans-123.891.1151.368.20000109.4S411S409-S411 PolarHBondContact O-N 3.41Å
410E29.3Very low32.9Very low184 Ų184135.6 Ų135.686%0.8680%0.797SS**  trans-57.6123.1158.9-69.4-120.8158.500109.4
411S32.1Very low32.8Very low112 Ų112135.5 Ų135.578%0.78380%0.797SS**  trans-129.795.2157.460.30000108.1S409 A413S409-S411 PolarHBondContact O-N 3.41Å; S411-A413 PolarHBondContact O-N 2.66Å
412S30.1Very low32.6Very low110 Ų110135.4 Ų135.477%0.76980%0.796SS**  trans-56.7109.2162.449.70000109.6
413A35.2Very low32.4Very low92 Ų92133.4 Ų133.476%0.7679%0.794SS**  trans-115.493.8159.600000107.4S411 T415S411-A413 PolarHBondContact O-N 2.66Å; A413-T415 PolarHBondContact O-N 2.65Å
414E29.2Very low32.5Very low187 Ų187135.4 Ų135.487%0.87480%0.796SS**  trans-62.6121.6167.4-62.2-157.8171.200109.4
415T34.2Very low32.3Very low139 Ų139134.1 Ų134.185%0.85379%0.792SS**  trans-129.9112.6156.135.20000108.4A413A413-T415 PolarHBondContact O-N 2.65Å
416A32.6Very low32.2Very low98 Ų98133.9 Ų133.981%0.8179%0.785SS**  trans-41.9131.5-174.300000115.1S418A416-S418 PolarHBondContact O-N 2.98Å
417E31.5Very low31.7Very low173 Ų173130.2 Ų130.281%0.80878%0.779SS**  trans-58.8123.5155.6-61.2-170.5167.900109.7
418S32.5Very low31.5Very low111 Ų111132.5 Ų132.578%0.77678%0.777SS**  trans-114.885.6161.461.90000107.4A416 E420A416-S418 PolarHBondContact O-N 2.98Å; S418-E420 PolarHBondContact O-N 3.2Å
419E31.5Very low31.5Very low152 Ų152134.8 Ų134.871%0.7178%0.775SS**  trans-72.6103.7165.6-65.1-141.9147.500108.5E421E419-E421 PolarHBondContact O-N 3.47Å
420E32.6Very low31Very low177 Ų177138.6 Ų138.683%0.82778%0.781SS**  trans-9683.7166.1-74.8-111.6165.100108.3S418 S422S418-E420 PolarHBondContact O-N 3.2Å; E420-S422 PolarHBondContact O-N 3.34Å
421E30.3Very low31.1Very low162 Ų162135.9 Ų135.976%0.75778%0.777SS**  trans-57.195.6161.9-83.6-77.4-178.400109.8E419E419-E421 PolarHBondContact O-N 3.47Å
422S30.4Very low30.9Very low105 Ų105139 Ų13973%0.73478%0.778SS**  trans-102.58116956.30000110.5E420 S424E420-S422 PolarHBondContact O-N 3.34Å; S422-S424 PolarHBondContact O-N 3.37Å
423S29.6Very low30.9Very low106 Ų106138.5 Ų138.574%0.74178%0.781SS**  trans-59.595.8160.3157.80000109.7
424S32.5Very low30.6Very low117 Ų117140.5 Ų140.582%0.81878%0.784SS**  trans-99.8101.6168.7-1770000109.7S422S422-S424 PolarHBondContact O-N 3.37Å
425S31.7Very low30.6Very low98 Ų98140 Ų14069%0.68578%0.782SS**  trans-58.3138.4177.6-55.10000113.5S427S425-S427 PolarHBondContact O-N 3.41Å
426E29.5Very low30.3Very low161 Ų161139.1 Ų139.175%0.75278%0.778SS**  trans-60.6112.1166.9-67-9613900110.3
427S29.9Very low30Very low92 Ų92144 Ų14464%0.64378%0.781SS**  trans-115.6108.2168.767.30000110.4S425 L429S425-S427 PolarHBondContact O-N 3.41Å; S427-L429 PolarHBondContact O-N 3.04Å
428Y29.6Very low29.8Very low197 Ų197140.3 Ų140.377%0.77378%0.775SS**  trans-63.1109.4167.4-51.2-88.1000108.8
429L30.7Very low29.5Very low144 Ų144144.5 Ų144.575%0.75478%0.782SS**  trans-10799.6168.2-70.1-178.4000108.7S427 V431S427-L429 PolarHBondContact O-N 3.04Å; L429-V431 PolarHBondContact O-N 2.91Å; L429-V431 VanDerWaalsContact O-N 3.13Å
430E26.9Very low29.3Very low193 Ų193145 Ų14590%0.90279%0.788SS**  trans-63.2102.3160.7-69.2-179.6155.400107.8E432E430-E432 PolarHBondContact O-N 3.22Å
431V30.2Very low29.1Very low128 Ų128147.5 Ų147.578%0.77679%0.79SS**  trans-87.8108172.9-176.90000107.7L429 A433L429-V431 PolarHBondContact O-N 2.91Å; L429-V431 VanDerWaalsContact O-N 3.13Å; V431-A433 PolarHBondContact O-N 3.3Å
432E29.1Very low28.8Very low176 Ų176147.6 Ų147.682%0.82280%0.796SS**  trans-55.8123.4171.5-69.1-162.9150.200110.7E430 T434E430-E432 PolarHBondContact O-N 3.22Å; E432-T434 PolarHBondContact O-N 3.39Å; E432-T434 VanDerWaalsContact O-N 3.15Å
433A29.9Very low28.6Very low100 Ų100151.6 Ų151.683%0.82680%0.8SS**  trans-73.6102.1177.900000110.2V431 E435V431-A433 PolarHBondContact O-N 3.3Å; A433-E435 PolarHBondContact O-N 2.69Å
434T29.2Very low28.6Very low134 Ų134152.5 Ų152.582%0.82280%0.804SS**  trans-73.5117.2168.148.80000110.5E432 P436E432-T434 PolarHBondContact O-N 3.39Å; E432-T434 VanDerWaalsContact O-N 3.15Å; T434-P436 WeakPolarHBondContact O-CD 3.21Å
435E28.1Very low28.4Very low176 Ų176154.8 Ų154.882%0.82281%0.807SS**  trans-62.4124.8177.3-61.8-179.9154.300113.1A433A433-E435 PolarHBondContact O-N 2.69Å
436P29.1Very low28.2Very low121 Ų121153.7 Ų153.779%0.78681%0.811SS**  trans-88.4115160.431.4-24.7000109.7T434 S438T434-P436 WeakPolarHBondContact O-CD 3.21Å; P436-S438 PolarHBondContact O-N 2.84Å
437K25.1Very low28Very low200 Ų200152.3 Ų152.387%0.8781%0.813SS**  trans-66.4107.9168.9-69.5172.1176.51720110.7
438S28.6Very low27.9Very low96 Ų96159.6 Ų159.667%0.67183%0.827SS**  trans-167.896151.944.70000113.8P436 I440P436-S438 PolarHBondContact O-N 2.84Å; S438-I440 PolarHBondContact O-N 2.9Å
439Q25.9Very low27.9Very low199 Ų199157.5 Ų157.593%0.9383%0.829SS**  trans39.774.1136.2-58.3179.510.100117.8
440I26.4Very low27.6Very low164 Ų164155.2 Ų155.284%0.84183%0.831SS**PPolyproline II helixtrans-99.4121.2158.2-64.1176.8000108.4S438S438-I440 PolarHBondContact O-N 2.9Å
441R28.2Very low27.6Very low229 Ų229152 Ų15286%0.86483%0.827SS**PPolyproline II helixtrans-61.3131.8-177.4-79.2170.8163.8172.7-5.9111.9
442N25.4Very low27.4Very low163 Ų163151.3 Ų151.387%0.87283%0.828SS**PPolyproline II helixtrans-46.4128.2173.9-67.8-19.5000113.7
443F25.7Very low27.2Very low190 Ų190150.4 Ų150.483%0.83382%0.823SS**  trans-104.2143.1152.5-77.2-83000109.1N445F443-N445 PolarHBondContact O-N 3.41Å
444P29.7Very low27Very low125 Ų125153.2 Ų153.281%0.81282%0.823SS**  trans-81.2122.8-169.43.913.7000111.1G446P444-G446 PolarHBondContact O-N 2.7Å
445N26.8Very low26.9Very low165 Ų165153.4 Ų153.488%0.88282%0.819SS**  trans-71109.5169.8-86.3-16.6000110.3F443 T447F443-N445 PolarHBondContact O-N 3.41Å; N445-T447 PolarHBondContact O-N 3.03Å
446G27.7Very low26.7Very low75 Ų75153.3 Ų153.377%0.77382%0.816SS**  trans-77.3108.3165.600000110.5P444 R448P444-G446 PolarHBondContact O-N 2.7Å; G446-R448 PolarHBondContact O-N 2.92Å
447T26.7Very low26.3Very low131 Ų131155.2 Ų155.280%0.80482%0.815SS**  trans-50.8123.3172.141.30000113N445N445-T447 PolarHBondContact O-N 3.03Å
448R27.9Very low26.4Very low246 Ų246153.6 Ų153.693%0.92882%0.816SS**  trans-123.898.8162.9-153.7174.2-173.8171.90.7108.1G446G446-R448 PolarHBondContact O-N 2.92Å
449N27.8Very low26.1Very low152 Ų152156.4 Ų156.481%0.81382%0.818SS**PPolyproline II helixtrans-69.1127176.6-74.9-16.9000110
450A24.7Very low26.1Very low97 Ų97155 Ų15580%0.80282%0.817SS**PPolyproline II helixtrans-98.5130.5166.100000109
451P28Very low25.9Very low126 Ų126155.7 Ų155.782%0.81881%0.814SS**PPolyproline II helixtrans-97.4121.9163.229.8-18.9000110
452S24.7Very low25.9Very low113 Ų113148.3 Ų148.379%0.7981%0.809SS**PPolyproline II helixtrans-73.9125165.750.50000110.3
453H26.4Very low25.7Very low156 Ų156145.5 Ų145.572%0.72281%0.808SS**  trans-122.3109.3160.9-153.9-93000108.3D455H453-D455 IonicContact CE1-OD1 2.61Å; H453-D455 PolarHBondContact CE1-OD1 3.18Å; H453-D455 VanDerWaalsContact CE1-OD1 3.25Å; H453-D455 IonicContact CE1-OD2 3.46Å; H453-D455 PolarHBondContact CE1-OD2 3.32Å; H453-D455 VanDerWaalsContact CE1-OD2 3.26Å; H453-D455 IonicContact ND1-OD1 2.99Å; H453-D455 PolarHBondContact ND1-OD1 2.88Å; H453-D455 IonicContact ND1-OD2 3.53Å; H453-D455 PolarHBondContact ND1-OD2 3.36Å
454L24.4Very low25.7Very low160 Ų160142.1 Ų142.184%0.83880%0.803SS**  trans-89108.3174.1-78.4156.3000107
455D27.9Very low25.5Very low138 Ų138145.4 Ų145.474%0.73881%0.805SS**  trans-107.6118.8165-73-48.8000109.7H453H453-D455 IonicContact CE1-OD1 2.61Å; H453-D455 PolarHBondContact CE1-OD1 3.18Å; H453-D455 VanDerWaalsContact CE1-OD1 3.25Å; H453-D455 IonicContact CE1-OD2 3.46Å; H453-D455 PolarHBondContact CE1-OD2 3.32Å; H453-D455 VanDerWaalsContact CE1-OD2 3.26Å; H453-D455 IonicContact ND1-OD1 2.99Å; H453-D455 PolarHBondContact ND1-OD1 2.88Å; H453-D455 IonicContact ND1-OD2 3.53Å; H453-D455 PolarHBondContact ND1-OD2 3.36Å
456K23.2Very low25.2Very low174 Ų174149.7 Ų149.776%0.75781%0.809SS**  trans-86.8154.8177.6-84.8-179.2171.4-173.40110.6
457E21Very low25.2Very low161 Ų161151 Ų15175%0.75281%0.806SS**  trans73.5110.3147.7-72.1163.1-150.900118.4
458N26.5Very low25.2Very low166 Ų166150.9 Ų150.989%0.88881%0.805SS**  -158.8114.8115.5-108.7-26.9000111.5
459E22.3Very low25.1Very low154 Ų154149.4 Ų149.472%0.7281%0.806SS**  trans-61136.4163.3-67.3-170.6149.500109.6K461E459-K461 IonicContact OE2-NZ 3.7Å
460N27.4Very low25Very low171 Ų171147 Ų14791%0.91480%0.8SS**  trans-134.3106155.8-125-9.5000110.1G462N460-G462 PolarHBondContact O-N 2.95Å
461K22.6Very low25.2Very low178 Ų178152 Ų15277%0.77480%0.804SS**  trans-73.6106.1176-74.5171177.2156.90109.4E459E459-K461 IonicContact OE2-NZ 3.7Å
462G26.3Very low25.3Very low73 Ų73152.7 Ų152.775%0.75380%0.801SS**  trans-110.385.4167.500000111N460 T464N460-G462 PolarHBondContact O-N 2.95Å; G462-T464 PolarHBondContact O-N 3.2Å
463A21.9Very low25.8Very low104 Ų104155.1 Ų155.186%0.8680%0.804SS**  trans-81.2108172.400000109.9
464T25Very low26.3Very low120 Ų120154 Ų15474%0.73680%0.803SS**  trans-142.4113.5167.5-31.40000112.8G462G462-T464 PolarHBondContact O-N 3.2Å
465K25.6Very low27.2Very low193 Ų193148.5 Ų148.584%0.83977%0.774SS**  trans55.8109.3146.9-68.4177.4179.6176.10119.8S467K465-S467 PolarHBondContact O-N 2.93Å
466R21.5Very low28.2Very low256 Ų256147.4 Ų147.497%0.96677%0.768SS**  trans-43120.1154.3-64171.3172.7177.4-3.7111.9
467S27.7Very low29Very low102 Ų102141.7 Ų141.771%0.71375%0.745SS**  trans-126.9116.2154.269.30000109.7K465K465-S467 PolarHBondContact O-N 2.93Å
468T26.5Very low30.1Very low128 Ų128140.1 Ų140.179%0.78574%0.742SS**  trans42.4104.5146.447.90000118.8S470T468-S470 PolarHBondContact O-N 3.29Å
469K25.3Very low31.1Very low216 Ų216138.1 Ų138.194%0.93973%0.731SS**  trans-43.896.2163.4-65.9173.6173.6-178.10112.5
470S27.1Very low32.2Very low100 Ų100133 Ų13370%0.69971%0.706SS**  trans-82.7115.4158.441.30000107.7T468 D472T468-S470 PolarHBondContact O-N 3.29Å; S470-D472 PolarHBondContact O-N 3Å
471K27.1Very low32.7Very low202 Ų202130 Ų13088%0.87869%0.694SS**  trans-52.4119177.6-83.6170166.6174.80110.5L473K471-L473 PolarHBondContact O-N 3.48Å
472D31.6Very low33.1Very low142 Ų142129.9 Ų129.976%0.75970%0.697SS**  trans-62.3110.1169-67-47.5000109.3S470 L474S470-D472 PolarHBondContact O-N 3Å; D472-L474 PolarHBondContact O-N 3.34Å
473L35.2Very low33.2Very low164 Ų164132.1 Ų132.186%0.85970%0.701SS**  trans-78.953.4165-73.9163000108.8K471 I475K471-L473 PolarHBondContact O-N 3.48Å; L473-I475 PolarHBondContact O-N 3.31Å
474L35.8Very low33.6Very low132 Ų132132.7 Ų132.769%0.69169%0.688SS**  trans-65.1122.6170.6-130.585000106.3D472 D476D472-L474 PolarHBondContact O-N 3.34Å; L474-D476 PolarHBondContact O-N 2.88Å
475I43.1Very low33.6Very low44 Ų44130.4 Ų130.423%0.22669%0.688CS.*  trans-58.1106.5169.5-63.8166.8000105.5L100 L473 I477L100-I475 HydrophobicContact CB-CD1 4.44Å; L100-I475 HydrophobicContact CD1-CD1 4.05Å; L473-I475 PolarHBondContact O-N 3.31Å; I475-I477 PolarHBondContact O-N 3.13Å
476D48.7Very low33.5Very low116 Ų116127.7 Ų127.762%0.6269%0.688SS**  trans-66101.8171.8-83.7-30.8000106.9L474 D478L474-D476 PolarHBondContact O-N 2.88Å; D476-D478 PolarHBondContact O-N 3.42Å; D476-D478 VanDerWaalsContact O-N 3.17Å
477I41.7Very low33.7Very low54 Ų54121.8 Ų121.828%0.27768%0.68SS.*G310 helixtrans-64.7-12-179.2-70.2169.5000111.1K138 I475 D479 F480K138-I477 HydrophobicContact CD-CD1 4.29Å; I475-I477 PolarHBondContact O-N 3.13Å; I477-D479 PolarHBondContact O-N 3.24Å; I477-F480 HydrophobicContact CG2-CD2 3.96Å; I477-F480 HydrophobicContact CG2-CE2 4.1Å; I477-F480 WeakPolarHBondContact O-CD2 3.32Å; I477-F480 PolarHBondContact O-N 3.32Å
478D43.1Very low33.5Very low128 Ų128122.1 Ų122.168%0.68468%0.68SS**G310 helixtrans-68.9-17.1-175.9-67.5-20.9000113.6D476 F480 T481D476-D478 PolarHBondContact O-N 3.42Å; D476-D478 VanDerWaalsContact O-N 3.17Å; D478-F480 PolarHBondContact O-N 3.32Å; D478-F480 VanDerWaalsContact O-N 3.16Å; D478-T481 PolarHBondContact O-OG1 2.91Å; D478-T481 VanDerWaalsContact O-OG1 3.07Å
479D47.3Very low33.4Very low123 Ų123123.6 Ų123.666%0.65868%0.682SS**G310 helixtrans-71.2-3.4179.5-85.4-6.4000114.6I477 T481I477-D479 PolarHBondContact O-N 3.24Å; D479-T481 PolarHBondContact O-N 2.75Å
480F46.7Very low33.4Very low46 Ų46117.9 Ų117.920%0.20268%0.675CS.*G310 helixtrans-74-4.6176.9-71.7-67.4000114.5Q104 F143 I477 D478Q104-F480 HydrophobicContact CG-CE1 3.81Å; Q104-F480 HydrophobicContact CG-CZ 4.04Å; F143-F480 HydrophobicContact CD1-CD1 4.42Å; F143-F480 AromaticContact CE1-CD1 3.43Å; F143-F480 HydrophobicContact CE1-CD1 3.43Å; F143-F480 VanDerWaalsContact CE1-CD1 3.43Å; F143-F480 AromaticContact CE1-CE1 3.8Å; F143-F480 HydrophobicContact CE1-CE1 3.8Å; F143-F480 HydrophobicContact CE1-CG 4.47Å; F143-F480 HydrophobicContact CE2-CD1 4.49Å; F143-F480 HydrophobicContact CE2-CE1 4.06Å; F143-F480 AromaticContact CZ-CD1 3.48Å; F143-F480 HydrophobicContact CZ-CD1 3.48Å; F143-F480 VanDerWaalsContact CZ-CD1 3.48Å; F143-F480 AromaticContact CZ-CE1 3.3Å; F143-F480 HydrophobicContact CZ-CE1 3.3Å; F143-F480 HydrophobicContact CZ-CZ 4.46Å; I477-F480 HydrophobicContact CG2-CD2 3.96Å; I477-F480 HydrophobicContact CG2-CE2 4.1Å; I477-F480 WeakPolarHBondContact O-CD2 3.32Å; I477-F480 PolarHBondContact O-N 3.32Å; D478-F480 PolarHBondContact O-N 3.32Å; D478-F480 VanDerWaalsContact O-N 3.16Å
481T36.9Very low33.4Very low108 Ų108118.1 Ų118.166%0.66367%0.674SS**G310 helixtrans-103.1-0.2-161.557.70000117D478 D479 S483D478-T481 PolarHBondContact O-OG1 2.91Å; D478-T481 VanDerWaalsContact O-OG1 3.07Å; D479-T481 PolarHBondContact O-N 2.75Å; T481-S483 PolarHBondContact O-N 3.05Å
482E31.2Very low33.2Very low176 Ų176114.5 Ų114.582%0.82268%0.675SS**  trans-67.2123.9-178-70.5-158.6163.100113
483S27.9Very low33Very low120 Ų120116.7 Ų116.784%0.83968%0.68SS**  trans-86117.9-166.6-270000110.5T481T481-S483 PolarHBondContact O-N 3.05Å
484I30.2Very low32.6Very low116 Ų116117.5 Ų117.560%0.59568%0.682SS**  trans-109.8133.4-175.3-61.4175.5000111.5
485G24.8Very low32.1Very low72 Ų72117 Ų11774%0.74268%0.684SS**  trans-72.3163.9-172.100000117
486V23.9Very low31.2Very low136 Ų136120.7 Ų120.782%0.82471%0.709SS**  trans-94.4133.7-158.2176.90000112.9
487V26.2Very low30.1Very low132 Ų132121.1 Ų121.180%0.871%0.711SS**  trans-156.5133.3138.5-175.70000109
488P23.8Very low29.5Very low110 Ų110123.6 Ų123.671%0.71473%0.731SS**  trans-92.3138.9-171.534.7-32000113.8
489L24.7Very low28.9Very low158 Ų158123.3 Ų123.383%0.82774%0.736SS**  trans-147141.6160.5-93.1117.8000110.8
490A24.4Very low27.9Very low97 Ų97123.8 Ų123.880%0.80275%0.747SS**PPolyproline II helixtrans-73.3147-161.900000115.3
491P26.6Very low26.8Very low104 Ų104127.5 Ų127.568%0.67577%0.774SS**PPolyproline II helixtrans-99.8146.9-174.934.7-27.3000114.6
492S24.4Very low26.4Very low127 Ų127128.4 Ų128.489%0.88878%0.779SS**PPolyproline II helixtrans-96142.1174.1-58.90000112.1
493Q27.1Very low26.2Very low187 Ų187126 Ų12687%0.87478%0.779SS**PPolyproline II helixtrans-92.8137.3-163.7-60.4173.5-35.400112.1
494M25.7Very low26.1Very low182 Ų182124.8 Ų124.890%0.89777%0.771SS**  trans-129.9139.5173.3-77.3-177.371.100111.2
495V25.5Very low26Very low122 Ų122124.3 Ų124.374%0.73978%0.777SS**  trans-129.1131.7-169.8177.80000109.4
496T25.8Very low26.2Very low120 Ų120127 Ų12774%0.73678%0.775SS**  trans-140.7136.3160.158.20000110.1
497N23.6Very low26.5Very low126 Ų126129.4 Ų129.467%0.67478%0.777SS**PPolyproline II helixtrans-90.4140.4179.4-72.9-12.8000111
498P30.7Very low26.7Very low106 Ų106132.9 Ų132.969%0.68878%0.781SS**PPolyproline II helixtrans-88.5146168.531.5-28.7000112.6
499P30.7Very low27Very low122 Ų122133.1 Ų133.179%0.79277%0.771SS**PPolyproline II helixtrans-76.3153.4-176.2-11.727.8000114.9
500C25Very low27.8Very low132 Ų132133.9 Ų133.989%0.89276%0.763SS**PPolyproline II helixtrans-76.3143.2-179-149.50000112
501T24Very low28.8Very low125 Ų125134.5 Ų134.577%0.76776%0.761SS**  trans-114.9137-168.516.70000112.6
502T28Very low30.2Very low127 Ų127132.3 Ų132.378%0.77974%0.74SS**  trans-128.5147.1161.650.50000110.5
503P26.7Very low32.3Very low124 Ų124131.8 Ų131.881%0.80573%0.727SS**  trans-101.3119.8-171.135-26.5000112.7
504S26.7Very low34.8Very low96 Ų96124 Ų12467%0.67169%0.69SS**  trans-156.9160150.350.90000110.9R510S504-R510 PolarHBondContact O-NH2 3.18Å
505S27.5Very low37.4Very low105 Ų105118.9 Ų118.973%0.73467%0.671SS**SBendtrans-53.6159.4-163.940.80000118.5
506D29.2Very low40.2Very low130 Ų130114.9 Ų114.970%0.69565%0.647SS**  trans87.794.7171.8-62.4-28.8000117.9K508D506-K508 VanDerWaalsContact C-N 3.26Å; D506-K508 PolarHBondContact O-N 3.14Å
507E30.4Very low42.9Very low186 Ų186111 Ų11187%0.86962%0.623SS**G310 helixtrans-67.3-13.6-175.7-66.8-155.5138.900115.3F509E507-F509 VanDerWaalsContact C-N 3.27Å; E507-F509 PolarHBondContact O-N 3.04Å
508K29.4Very low45.6Very low205 Ų205108.5 Ų108.589%0.89162%0.619SS**G310 helixtrans-78.1-5.9-175.7-72.1-170.5176.2-175.90114.8D506D506-K508 VanDerWaalsContact C-N 3.26Å; D506-K508 PolarHBondContact O-N 3.14Å
509F31.8Very low48.2Very low115 Ų115104 Ų10450%0.50459%0.591SS.*G310 helixtrans-119.511-168.6-98.6-66.2000115.9E507 R512E507-F509 VanDerWaalsContact C-N 3.27Å; E507-F509 PolarHBondContact O-N 3.04Å; F509-R512 HydrophobicContact CD1-CG 4.18Å; F509-R512 WeakPolarHBondContact O-CG 3.32Å; F509-R512 PolarHBondContact O-NE 3.2Å
510R40Very low50.7Low174 Ų174100.9 Ų100.966%0.65757%0.572SS**SBendtrans-94.3-27.4-172-70.5-173.5176.2-172.3-0.5116S504 R512S504-R510 PolarHBondContact O-NH2 3.18Å; R510-R512 VanDerWaalsContact C-N 3.31Å; R510-R512 PolarHBondContact O-N 2.85Å
511S45.7Very low53.5Low109 Ų10998.1 Ų98.176%0.76254%0.544SS*.SBendtrans-94.159.1171.8-174.70000110.1N513S511-N513 PolarHBondContact O-N 3.44Å; S511-N513 VanDerWaalsContact O-N 3.07Å
512R57.3Low56.4Low59 Ų5996.9 Ų96.922%0.22353%0.528CS..  trans-77.395.5178.5-77.8-179.5-139.1-160.712.1109.9F509 R510 F514 E655F509-R512 HydrophobicContact CD1-CG 4.18Å; F509-R512 WeakPolarHBondContact O-CG 3.32Å; F509-R512 PolarHBondContact O-NE 3.2Å; R510-R512 VanDerWaalsContact C-N 3.31Å; R510-R512 PolarHBondContact O-N 2.85Å; R512-F514 HydrophobicContact CB-CD1 4.43Å; R512-F514 HydrophobicContact CB-CD2 4.28Å; R512-F514 HydrophobicContact CB-CE1 3.97Å; R512-F514 HydrophobicContact CB-CE2 3.79Å; R512-F514 HydrophobicContact CB-CZ 3.66Å; R512-F514 HydrophobicContact CG-CE1 4.2Å; R512-F514 HydrophobicContact CG-CZ 4.08Å; R512-F514 PolarHBondContact O-N 3.43Å; R512-E655 IonicContact CZ-OE2 3.99Å; R512-E655 IonicContact NH2-OE2 2.99Å; R512-E655 PolarHBondContact NH2-OE2 3.22Å
513N67Low58.7Low116 Ų11692.8 Ų92.862%0.6250%0.5SS*.  trans-79.797.5158.1-75.9-26000107.5S511S511-N513 PolarHBondContact O-N 3.44Å; S511-N513 VanDerWaalsContact O-N 3.07Å
514F80.5Confident60.7Low22 Ų2290.5 Ų90.510%0.09650%0.499CS..PPolyproline II helixtrans-72.7134.8173.9-59.1-73.9000110.1R512 V516 I642 L644 L652 P708R512-F514 HydrophobicContact CB-CD1 4.43Å; R512-F514 HydrophobicContact CB-CD2 4.28Å; R512-F514 HydrophobicContact CB-CE1 3.97Å; R512-F514 HydrophobicContact CB-CE2 3.79Å; R512-F514 HydrophobicContact CB-CZ 3.66Å; R512-F514 HydrophobicContact CG-CE1 4.2Å; R512-F514 HydrophobicContact CG-CZ 4.08Å; R512-F514 PolarHBondContact O-N 3.43Å; F514-V516 PolarHBondContact O-N 2.83Å; F514-I642 HydrophobicContact CB-CB 3.89Å; F514-I642 HydrophobicContact CB-CD1 3.87Å; F514-I642 HydrophobicContact CB-CG1 4.44Å; F514-I642 HydrophobicContact CB-CG2 3.89Å; F514-I642 HydrophobicContact CD1-CD1 4.22Å; F514-I642 HydrophobicContact CD2-CD1 3.93Å; F514-I642 HydrophobicContact CE2-CD1 4.49Å; F514-I642 HydrophobicContact CG-CD1 3.75Å; F514-L644 HydrophobicContact CD1-CD2 3.48Å; F514-L644 VanDerWaalsContact CD1-CD2 3.48Å; F514-L644 HydrophobicContact CE1-CD2 3.6Å; F514-L644 HydrophobicContact CG-CD2 4.47Å; F514-L652 HydrophobicContact CE1-CD1 4.04Å; F514-L652 HydrophobicContact CZ-CD1 3.95Å; F514-P708 HydrophobicContact CE2-CB 3.87Å; F514-P708 HydrophobicContact CE2-CG 4.06Å; F514-P708 HydrophobicContact CZ-CB 4.09Å; F514-P708 HydrophobicContact CZ-CG 4.24Å
515P81.1Confident63.1Low76 Ų7694.4 Ų94.449%0.49451%0.506SS..PPolyproline II helixtrans-58.1122.8173.321.1-29.8000110.1I642 E643P515-I642 CarbonylContact O-C 3.56Å; P515-I642 VanDerWaalsContact O-CA 3.3Å; P515-I642 WeakPolarHBondContact O-CA 3.3Å; P515-E643 HydrophobicContact CG-CB 4.04Å; P515-E643 PolarHBondContact O-N 2.84Å
516V83.2Confident65.7Low38 Ų3890.9 Ų90.923%0.2349%0.486CS..BIsolated β-bridgetrans-82.6134.1-179171.30000110R323 F514 R640R323-V516 WeakPolarHBondContact CD-O 3.48Å; F514-V516 PolarHBondContact O-N 2.83Å; V516-R640 HydrophobicContact CG1-CG 3.73Å; V516-R640 HydrophobicContact CG2-CG 4.38Å
517V82.9Confident68.5Low38 Ų3894.5 Ų94.523%0.2349%0.49CS..  trans-108.8154.4178-170.50000110.4P641 E643V517-P641 HydrophobicContact CB-CB 4.36Å; V517-P641 PolarHBondContact N-O 2.85Å; V517-E643 HydrophobicContact CG2-CB 3.54Å
518A80.6Confident71.4Confident73 Ų7389.9 Ų89.960%0.60347%0.469SS*.  trans-63.6150.5170.900000111.6S520A518-S520 PolarHBondContact O-N 2.82Å
519A84.4Confident74.3Confident12 Ų1282 Ų8210%0.09944%0.436CS..  trans-58.1133.8175.900000112Y521 F522 R546 N685A519-Y521 VanDerWaalsContact C-N 3.34Å; A519-F522 HydrophobicContact CB-CE1 3.91Å; A519-F522 HydrophobicContact CB-CE2 4.36Å; A519-F522 HydrophobicContact CB-CZ 3.78Å; A519-F522 WeakPolarHBondContact O-CE2 3.31Å; A519-R546 HydrophobicContact CB-CB 3.75Å; A519-N685 WeakPolarHBondContact CB-OD1 3.36Å
520S83.3Confident77.1Confident56 Ų5676.9 Ų76.939%0.39241%0.414SS..SBendtrans-83.2-11178.2-53.90000113.4A518 P688A518-S520 PolarHBondContact O-N 2.82Å; S520-P688 WeakPolarHBondContact OG-CD 3.4Å
521Y84.8Confident79.5Confident75 Ų7572.1 Ų72.129%0.29440%0.401SS..  trans-145.3139177.5178.7-89.4000111A519 H523 R546 L681 R682A519-Y521 VanDerWaalsContact C-N 3.34Å; Y521-H523 AromaticContact CE1-CD2 3.96Å; Y521-H523 AromaticContact CE1-NE2 3.92Å; Y521-R546 WeakPolarHBondContact O-CD 3.47Å; Y521-R546 PolarHBondContact O-NH1 3.34Å; Y521-R546 VanDerWaalsContact O-NH1 3.15Å; Y521-L681 WeakPolarHBondContact CB-O 3.37Å; Y521-R682 HydrophobicContact CD1-CB 4.41Å; Y521-R682 HydrophobicContact CE1-CB 4.06Å; Y521-R682 HydrophobicContact CE1-CG 3.81Å
522F84Confident81.4Confident99 Ų9972.3 Ų72.343%0.43439%0.389SS..  trans-123.6137.9176.6-62.2-85.9000110.5A519 G524 A545 R546 T547A519-F522 HydrophobicContact CB-CE1 3.91Å; A519-F522 HydrophobicContact CB-CE2 4.36Å; A519-F522 HydrophobicContact CB-CZ 3.78Å; A519-F522 WeakPolarHBondContact O-CE2 3.31Å; F522-G524 PolarHBondContact O-N 3.48Å; F522-A545 WeakPolarHBondContact CD1-O 3.4Å; F522-R546 HydrophobicContact CD1-CB 4.44Å; F522-R546 HydrophobicContact CE1-CB 4.43Å; F522-T547 HydrophobicContact CE1-CG2 4.05Å
523H75.8Confident82.8Confident41 Ų4174.8 Ų74.819%0.1941%0.41CS..  trans-68.7124173.9-72.595.4000110.5Y521 R543 R546 E637Y521-H523 AromaticContact CE1-CD2 3.96Å; Y521-H523 AromaticContact CE1-NE2 3.92Å; H523-R543 HydrophobicContact CB-CG 4.02Å; H523-R543 WeakPolarHBondContact O-CD 3.43Å; H523-R543 PolarHBondContact O-NH1 3.41Å; H523-R546 PolarHBondContact CE1-NH2 3.46Å; H523-E637 IonicContact CE1-OE1 2.72Å; H523-E637 PolarHBondContact CE1-OE1 3.48Å; H523-E637 IonicContact ND1-OE1 3.16Å
524G68.9Low83.8Confident76 Ų7671.8 Ų71.878%0.78440%0.401SS*.SBendtrans-76.9-32177.700000114F522F522-G524 PolarHBondContact O-N 3.48Å
525Q77.2Confident84.1Confident178 Ų17870.7 Ų70.783%0.83240%0.396SS*.SBendtrans-125.6142.2-179.3-68.7-177.2-10.200110.9
526G83Confident84.5Confident30 Ų3070.1 Ų70.131%0.30939%0.387SS..PPolyproline II helixtrans-80.4157.1172.900000112.5C542G526-C542 CarbonylContact C-O 3.59Å; G526-C542 VanDerWaalsContact CA-O 3.28Å; G526-C542 WeakPolarHBondContact CA-O 3.35Å
527R87Confident84.7Confident207 Ų20768.7 Ų68.778%0.78138%0.38SS*.EExtended strand (participates in β ladder)trans-85130.4171.9-179.4179.2175.7-179.1-0.4109.4I529 T541 C542R527-I529 PolarHBondContact O-N 2.91Å; R527-T541 CarbonylContact O-C 3.59Å; R527-T541 WeakPolarHBondContact O-CA 3.25Å; R527-C542 PolarHBondContact N-O 3.18Å; R527-C542 PolarHBondContact O-N 3.29Å
528E90.8Very high85.2Confident89 Ų8966.9 Ų66.942%0.41637%0.369SS..EExtended strand (participates in β ladder)trans-66.7120.6171.9-172.7171.8158.500110.1N531 K539 T541E528-N531 WeakPolarHBondContact OE1-CA 3.18Å; E528-N531 WeakPolarHBondContact OE1-CB 3.41Å; E528-K539 HydrophobicContact CG-CD 4.44Å; E528-K539 HydrophobicContact CG-CG 4.29Å; E528-K539 WeakPolarHBondContact OE2-CE 3.36Å; E528-K539 IonicContact OE2-NZ 2.6Å; E528-K539 PolarHBondContact OE2-NZ 3.22Å; E528-T541 HydrophobicContact CB-CG2 4.44Å
529I91.4Very high85.8Confident39 Ų3965.4 Ų65.420%0.235%0.349CS..EExtended strand (participates in β ladder)trans-107.3-30.817953.8164.6000111.8R527 V540 C542 L560 F629 F631R527-I529 PolarHBondContact O-N 2.91Å; I529-V540 HydrophobicContact CD1-CB 4.36Å; I529-V540 HydrophobicContact CD1-CG1 3.78Å; I529-V540 HydrophobicContact CG1-CB 4.02Å; I529-V540 HydrophobicContact CG1-CG1 3.91Å; I529-V540 VanDerWaalsContact CG1-O 3.27Å; I529-V540 WeakPolarHBondContact CG1-O 3.27Å; I529-V540 PolarHBondContact N-O 3.13Å; I529-C542 HydrophobicContact CD1-CB 3.9Å; I529-C542 HydrophobicContact CG1-CB 4.14Å; I529-C542 HydrophobicContact CG2-CB 3.74Å; I529-L560 HydrophobicContact CD1-CD2 3.98Å; I529-F629 HydrophobicContact CD1-CD2 3.64Å; I529-F629 HydrophobicContact CD1-CE2 3.39Å; I529-F629 HydrophobicContact CD1-CZ 4.09Å; I529-F631 HydrophobicContact CD1-CD1 4.06Å; I529-F631 HydrophobicContact CD1-CE1 4.32Å; I529-F631 HydrophobicContact CG2-CB 4.34Å
530V90.6Very high86.2Confident8 Ų864.8 Ų64.85%0.04834%0.344CS..EExtended strand (participates in β ladder)trans-130.3123.4173.9-1770000107.7A534 K539 V540 M619 F629V530-A534 HydrophobicContact CG1-CB 4.15Å; V530-K539 WeakPolarHBondContact O-CA 3.25Å; V530-V540 HydrophobicContact CB-CB 3.89Å; V530-V540 HydrophobicContact CB-CG2 3.99Å; V530-V540 HydrophobicContact CG2-CB 4.16Å; V530-V540 HydrophobicContact CG2-CG2 4.28Å; V530-V540 PolarHBondContact N-O 2.91Å; V530-V540 PolarHBondContact O-N 3.42Å; V530-M619 HydrophobicContact CG1-CE 4.22Å; V530-F629 HydrophobicContact CG2-CB 3.56Å; V530-F629 HydrophobicContact CG2-CD1 3.32Å; V530-F629 HydrophobicContact CG2-CD2 4.23Å; V530-F629 HydrophobicContact CG2-CE1 3.95Å; V530-F629 HydrophobicContact CG2-CG 3.45Å; V530-F629 VanDerWaalsContact CG2-CG 3.45Å
531N90Very high86.7Confident73 Ų7363.1 Ų63.139%0.3933%0.332SS..  trans-82.2164.1174.3723.6000110.9E528 V533 A534 G535E528-N531 WeakPolarHBondContact OE1-CA 3.18Å; E528-N531 WeakPolarHBondContact OE1-CB 3.41Å; N531-V533 PolarHBondContact O-N 2.99Å; N531-V533 PolarHBondContact OD1-N 2.89Å; N531-A534 PolarHBondContact O-N 3.46Å; N531-A534 WeakPolarHBondContact OD1-CB 3.47Å; N531-A534 PolarHBondContact OD1-N 2.9Å; N531-G535 PolarHBondContact O-N 3.28Å
532K86.3Confident87.1Confident114 Ų11460 Ų6050%0.49632%0.32SS..THydrogen-bonded Turntrans-56.8-24.9-179.870177-175.4177.30114.4G537 Q565K532-G537 WeakPolarHBondContact O-CA 3.3Å; K532-G537 PolarHBondContact O-N 2.86Å; K532-Q565 HydrophobicContact CB-CB 4.3Å; K532-Q565 HydrophobicContact CD-CB 4.49Å
533V86.6Confident87.4Confident111 Ų11158.2 Ų58.267%0.67331%0.311SS*.THydrogen-bonded Turntrans-78.9-49.9-178.2-178.50000109.9N531 G535 H536N531-V533 PolarHBondContact O-N 2.99Å; N531-V533 PolarHBondContact OD1-N 2.89Å; V533-G535 VanDerWaalsContact C-N 3.33Å; V533-H536 PolarHBondContact O-N 2.98Å
534A87.6Confident88.1Confident52 Ų5257.6 Ų57.643%0.4331%0.307SS..THydrogen-bonded Turntrans-69.6-31.9179.100000111.9V530 N531 H536 T627V530-A534 HydrophobicContact CG1-CB 4.15Å; N531-A534 PolarHBondContact O-N 3.46Å; N531-A534 WeakPolarHBondContact OD1-CB 3.47Å; N531-A534 PolarHBondContact OD1-N 2.9Å; A534-H536 VanDerWaalsContact C-N 3.31Å; A534-H536 PolarHBondContact O-N 3.48Å; A534-T627 WeakPolarHBondContact O-CB 3.46Å; A534-T627 WeakPolarHBondContact O-CG2 3.44Å
535G87.1Confident89Confident0 Ų054.4 Ų54.40%027%0.274CS..THydrogen-bonded Turntrans-91.420.3178.200000114.6N531 V533 G537 V538N531-G535 PolarHBondContact O-N 3.28Å; V533-G535 VanDerWaalsContact C-N 3.33Å; G535-G537 PolarHBondContact O-N 3.48Å; G535-G537 VanDerWaalsContact O-N 3.15Å; G535-V538 WeakPolarHBondContact CA-O 3.35Å; G535-V538 WeakPolarHBondContact O-CB 3.43Å; G535-V538 PolarHBondContact O-N 3.42Å
536H88.8Confident89.6Confident63 Ų6346.9 Ų46.929%0.29224%0.238SC..THydrogen-bonded Turntrans51.939.5177.2-59.5117.3000114.4V533 A534 V621 Q624 V625 T627V533-H536 PolarHBondContact O-N 2.98Å; A534-H536 VanDerWaalsContact C-N 3.31Å; A534-H536 PolarHBondContact O-N 3.48Å; H536-V621 HydrophobicContact CB-CB 4.4Å; H536-Q624 PolarHBondContact CD2-OE1 3.22Å; H536-V625 PolarHBondContact CE1-O 3.21Å; H536-V625 VanDerWaalsContact CE1-O 3.26Å; H536-T627 WeakPolarHBondContact CE1-CG2 3.32Å; H536-T627 WeakPolarHBondContact ND1-CG2 3.3Å
537G87.8Confident89.6Confident8 Ų848 Ų488%0.08224%0.239CC..THydrogen-bonded Turntrans104.6-19.6-176.800000114.8K532 G535 Q565K532-G537 WeakPolarHBondContact O-CA 3.3Å; K532-G537 PolarHBondContact O-N 2.86Å; G535-G537 PolarHBondContact O-N 3.48Å; G535-G537 VanDerWaalsContact O-N 3.15Å; G537-Q565 PolarHBondContact O-N 3.16Å
538V92.6Very high89.3Confident0 Ų040.3 Ų40.30%022%0.216CC..EExtended strand (participates in β ladder)trans-91.8121.1176.2-171.80000110G535 V540 F562 Q563 I570 V573 L594 V621G535-V538 WeakPolarHBondContact CA-O 3.35Å; G535-V538 WeakPolarHBondContact O-CB 3.43Å; G535-V538 PolarHBondContact O-N 3.42Å; V538-V540 HydrophobicContact CG1-CG2 4.21Å; V538-F562 HydrophobicContact CG1-CB 4.13Å; V538-F562 HydrophobicContact CG1-CD1 4.11Å; V538-Q563 CarbonylContact C-O 3.52Å; V538-Q563 WeakPolarHBondContact CA-O 3.34Å; V538-I570 HydrophobicContact CG2-CD1 3.29Å; V538-V573 HydrophobicContact CG2-CG2 4.03Å; V538-L594 HydrophobicContact CG1-CD2 4.47Å; V538-V621 HydrophobicContact CG2-CG1 4.11Å; V538-V621 HydrophobicContact CG2-CG2 4.01Å
539K93.2Very high88.9Confident42 Ų4236.7 Ų36.718%0.18320%0.199CC..EExtended strand (participates in β ladder)trans-87.9132.8165.7171.3174.3168.7157.30109E528 V530 T541 Q563 Q565E528-K539 HydrophobicContact CG-CD 4.44Å; E528-K539 HydrophobicContact CG-CG 4.29Å; E528-K539 WeakPolarHBondContact OE2-CE 3.36Å; E528-K539 IonicContact OE2-NZ 2.6Å; E528-K539 PolarHBondContact OE2-NZ 3.22Å; V530-K539 WeakPolarHBondContact O-CA 3.25Å; K539-T541 HydrophobicContact CD-CG2 4.42Å; K539-T541 HydrophobicContact CG-CG2 4.27Å; K539-Q563 HydrophobicContact CB-CB 4.43Å; K539-Q563 PolarHBondContact N-O 2.92Å; K539-Q563 PolarHBondContact O-N 3.25Å; K539-Q565 HydrophobicContact CB-CG 4.29Å
540V93.6Very high88.2Confident0 Ų041 Ų410%022%0.222CC..EExtended strand (participates in β ladder)trans-115.3122.8175-169.70000109.6I529 V530 V538 L560 Q561 F562 M619I529-V540 HydrophobicContact CD1-CB 4.36Å; I529-V540 HydrophobicContact CD1-CG1 3.78Å; I529-V540 HydrophobicContact CG1-CB 4.02Å; I529-V540 HydrophobicContact CG1-CG1 3.91Å; I529-V540 VanDerWaalsContact CG1-O 3.27Å; I529-V540 WeakPolarHBondContact CG1-O 3.27Å; I529-V540 PolarHBondContact N-O 3.13Å; V530-V540 HydrophobicContact CB-CB 3.89Å; V530-V540 HydrophobicContact CB-CG2 3.99Å; V530-V540 HydrophobicContact CG2-CB 4.16Å; V530-V540 HydrophobicContact CG2-CG2 4.28Å; V530-V540 PolarHBondContact N-O 2.91Å; V530-V540 PolarHBondContact O-N 3.42Å; V538-V540 HydrophobicContact CG1-CG2 4.21Å; V540-L560 HydrophobicContact CG1-CB 4.39Å; V540-Q561 WeakPolarHBondContact CA-O 3.45Å; V540-F562 HydrophobicContact CG1-CD1 4.3Å; V540-F562 HydrophobicContact CG1-CE1 4.04Å; V540-F562 HydrophobicContact CG1-CZ 4.38Å; V540-F562 HydrophobicContact CG2-CD1 3.67Å; V540-F562 HydrophobicContact CG2-CE1 3.8Å; V540-M619 HydrophobicContact CG2-CE 4.38Å; V540-M619 HydrophobicContact CG2-SD 3.79Å
541T92.7Very high87.6Confident21 Ų2144.3 Ų44.313%0.12925%0.245CC..EExtended strand (participates in β ladder)trans-111.8143.7171.271.40000110.7R527 E528 K539 L560 Q561R527-T541 CarbonylContact O-C 3.59Å; R527-T541 WeakPolarHBondContact O-CA 3.25Å; E528-T541 HydrophobicContact CB-CG2 4.44Å; K539-T541 HydrophobicContact CD-CG2 4.42Å; K539-T541 HydrophobicContact CG-CG2 4.27Å; T541-L560 CarbonylContact O-C 3.53Å; T541-L560 WeakPolarHBondContact O-CA 3.5Å; T541-Q561 PolarHBondContact N-O 3.32Å; T541-Q561 PolarHBondContact O-N 3.28Å
542C93.4Very high87.1Confident8 Ų841.7 Ų41.75%0.05423%0.232CC..EExtended strand (participates in β ladder)trans-120134.4-175.6174.10000110.3G526 R527 I529 V558 E559 L560G526-C542 CarbonylContact C-O 3.59Å; G526-C542 VanDerWaalsContact CA-O 3.28Å; G526-C542 WeakPolarHBondContact CA-O 3.35Å; R527-C542 PolarHBondContact N-O 3.18Å; R527-C542 PolarHBondContact O-N 3.29Å; I529-C542 HydrophobicContact CD1-CB 3.9Å; I529-C542 HydrophobicContact CG1-CB 4.14Å; I529-C542 HydrophobicContact CG2-CB 3.74Å; C542-V558 WeakPolarHBondContact SG-CG1 3.33Å; C542-E559 CarbonylContact C-O 3.48Å; C542-E559 WeakPolarHBondContact CA-O 3.48Å; C542-L560 HydrophobicContact CB-CD2 3.7Å
543R90.3Very high86.8Confident63 Ų6337.8 Ų37.824%0.23822%0.217CC..EExtended strand (participates in β ladder)trans-138.6131.9179.7-171178.277.4113.3-2.6110.6H523 A545 V558 E559H523-R543 HydrophobicContact CB-CG 4.02Å; H523-R543 WeakPolarHBondContact O-CD 3.43Å; H523-R543 PolarHBondContact O-NH1 3.41Å; R543-A545 PolarHBondContact O-N 3.34Å; R543-V558 CarbonylContact O-C 3.6Å; R543-V558 WeakPolarHBondContact O-CA 3.42Å; R543-E559 IonicContact CZ-OE2 2.88Å; R543-E559 VanDerWaalsContact CZ-OE2 3.28Å; R543-E559 PolarHBondContact N-O 3.42Å; R543-E559 IonicContact NE-OE2 3.97Å; R543-E559 PolarHBondContact NE-OE2 3.46Å; R543-E559 IonicContact NH2-OE2 3.89Å; R543-E559 PolarHBondContact NH2-OE2 3.06Å; R543-E559 PolarHBondContact O-N 3.29Å
544F91.4Very high86.7Confident27 Ų2733.1 Ų33.112%0.11819%0.19CC..EExtended strand (participates in β ladder)trans-80.1116.3169.5-66.8-88.9000108.7R546 V558 F608 F631 A633 E637F544-R546 VanDerWaalsContact C-N 3.31Å; F544-R546 PolarHBondContact O-N 2.68Å; F544-V558 HydrophobicContact CD1-CG2 3.71Å; F544-V558 HydrophobicContact CE1-CG2 3.53Å; F544-V558 HydrophobicContact CZ-CG2 4.35Å; F544-F608 HydrophobicContact CE1-CE2 4.49Å; F544-F631 HydrophobicContact CZ-CD2 4.19Å; F544-F631 HydrophobicContact CZ-CE2 4.19Å; F544-A633 HydrophobicContact CE1-CB 3.69Å; F544-A633 HydrophobicContact CZ-CB 3.87Å; F544-E637 HydrophobicContact CB-CB 4.31Å; F544-E637 HydrophobicContact CB-CG 3.9Å; F544-E637 VanDerWaalsContact CB-OE2 3.3Å; F544-E637 WeakPolarHBondContact CB-OE2 3.26Å; F544-E637 HydrophobicContact CD1-CB 3.89Å; F544-E637 HydrophobicContact CD1-CG 4.17Å; F544-E637 HydrophobicContact CD2-CG 3.98Å; F544-E637 HydrophobicContact CE1-CB 4.4Å; F544-E637 HydrophobicContact CG-CB 3.98Å; F544-E637 HydrophobicContact CG-CG 3.73Å
545A88.6Confident86.7Confident10 Ų1030.8 Ų30.88%0.08317%0.171CC..EExtended strand (participates in β ladder)trans-79.4-15.3-17200000113F522 R543 T547 N557F522-A545 WeakPolarHBondContact CD1-O 3.4Å; R543-A545 PolarHBondContact O-N 3.34Å; A545-T547 PolarHBondContact O-N 3.49Å; A545-N557 HydrophobicContact CB-CB 4.36Å; A545-N557 PolarHBondContact N-O 2.89Å
546R89Confident86.8Confident19 Ų1931.1 Ų31.17%0.07217%0.173CC..EExtended strand (participates in β ladder)trans51.126.7-176.6-64.7178.8174.5-167.8-1.4114.4A519 Y521 F522 H523 F544 E637 L681 R682 N685A519-R546 HydrophobicContact CB-CB 3.75Å; Y521-R546 WeakPolarHBondContact O-CD 3.47Å; Y521-R546 PolarHBondContact O-NH1 3.34Å; Y521-R546 VanDerWaalsContact O-NH1 3.15Å; F522-R546 HydrophobicContact CD1-CB 4.44Å; F522-R546 HydrophobicContact CE1-CB 4.43Å; H523-R546 PolarHBondContact CE1-NH2 3.46Å; F544-R546 VanDerWaalsContact C-N 3.31Å; F544-R546 PolarHBondContact O-N 2.68Å; R546-E637 WeakPolarHBondContact CG-OE2 3.45Å; R546-E637 IonicContact CZ-OE1 3.49Å; R546-E637 VanDerWaalsContact CZ-OE1 3.3Å; R546-E637 IonicContact CZ-OE2 2.84Å; R546-E637 IonicContact NE-OE1 3.51Å; R546-E637 PolarHBondContact NE-OE1 3.49Å; R546-E637 IonicContact NE-OE2 3.91Å; R546-E637 PolarHBondContact NE-OE2 2.89Å; R546-E637 IonicContact NH2-OE1 2.67Å; R546-E637 PolarHBondContact NH2-OE1 3.01Å; R546-E637 IonicContact NH2-OE2 3.66Å; R546-L681 PolarHBondContact NH1-O 3.17Å; R546-R682 PolarHBondContact NH2-O 3.45Å; R546-N685 HydrophobicContact CG-CB 4.19Å
547T84Confident86.9Confident53 Ų5329.2 Ų29.233%0.32517%0.165SC..EExtended strand (participates in β ladder)trans-112.2149.2170.8480000108.1F522 A545 N557F522-T547 HydrophobicContact CE1-CG2 4.05Å; A545-T547 PolarHBondContact O-N 3.49Å; T547-N557 WeakPolarHBondContact O-CB 3.33Å; T547-N557 PolarHBondContact OG1-ND2 2.63Å
548P80.5Confident87.2Confident46 Ų4628.8 Ų28.830%0.29916%0.161SC..EExtended strand (participates in β ladder)trans-61.5143.8174.824.3-32.1000110.9
549H82.5Confident87.1Confident13 Ų1330.3 Ų30.36%0.0617%0.168CC..  trans-82.6148.6175.2-170.7-98.6000110.8Q322 S551 A555 N557 G605Q322-H549 PolarHBondContact NE2-O 2.67Å; H549-S551 PolarHBondContact CE1-OG 2.86Å; H549-S551 VanDerWaalsContact CE1-OG 3.31Å; H549-S551 PolarHBondContact ND1-N 3.07Å; H549-S551 VanDerWaalsContact ND1-N 3.19Å; H549-S551 PolarHBondContact O-N 3.03Å; H549-A555 HydrophobicContact CB-CB 4.48Å; H549-N557 HydrophobicContact CB-CB 4.21Å; H549-G605 VanDerWaalsContact CD2-CA 3.44Å; H549-G605 WeakPolarHBondContact CD2-CA 3.47Å; H549-G605 PolarHBondContact CD2-N 3.32Å; H549-G605 VanDerWaalsContact CD2-N 3.3Å; H549-G605 VanDerWaalsContact CG-CA 3.43Å; H549-G605 PolarHBondContact NE2-N 2.94Å
550L75.6Confident87.1Confident130 Ų13028.3 Ų28.368%0.68116%0.159SC*.SBendtrans-66.8-38.1-175.7-69171.9000113L320L320-L550 HydrophobicContact CD1-CD2 3.97Å
551S77.7Confident87Confident77 Ų7731.4 Ų31.454%0.53817%0.174SC..SBendtrans-83.9-23-174.5-47.10000114.2H549H549-S551 PolarHBondContact CE1-OG 2.86Å; H549-S551 VanDerWaalsContact CE1-OG 3.31Å; H549-S551 PolarHBondContact ND1-N 3.07Å; H549-S551 VanDerWaalsContact ND1-N 3.19Å; H549-S551 PolarHBondContact O-N 3.03Å
552S80.5Confident87Confident18 Ų1830.4 Ų30.413%0.12617%0.168CC..  trans-156.3124.1-176.6-179.20000111.1A554 A555S552-A554 VanDerWaalsContact C-N 3.26Å; S552-A554 PolarHBondContact O-N 2.85Å; S552-A554 PolarHBondContact OG-N 2.84Å; S552-A555 PolarHBondContact O-N 3.17Å
553D78.7Confident87Confident32 Ų3232.8 Ų32.817%0.17118%0.178CC..THydrogen-bonded Turntrans-65.3-31175.5-170.750.2000111.9Q322 A555 R640 K706Q322-D553 WeakPolarHBondContact CB-OD1 3.5Å; Q322-D553 PolarHBondContact OE1-OD1 3.32Å; D553-A555 VanDerWaalsContact C-N 3.31Å; D553-A555 PolarHBondContact O-N 3.33Å; D553-R640 PolarHBondContact O-NH2 3.29Å; D553-R640 IonicContact OD1-CZ 3.57Å; D553-R640 IonicContact OD1-NH1 3.27Å; D553-R640 PolarHBondContact OD1-NH1 2.9Å; D553-R640 IonicContact OD1-NH2 2.91Å; D553-R640 PolarHBondContact OD1-NH2 3.44Å; D553-R640 IonicContact OD2-CZ 3.51Å; D553-R640 IonicContact OD2-NH1 3.39Å; D553-R640 PolarHBondContact OD2-NH1 2.91Å; D553-R640 IonicContact OD2-NH2 2.69Å; D553-K706 WeakPolarHBondContact OD2-CE 3.33Å; D553-K706 IonicContact OD2-NZ 2.83Å; D553-K706 PolarHBondContact OD2-NZ 3.34Å
554A85.1Confident87.1Confident14 Ų1429.8 Ų29.812%0.11617%0.166CC..THydrogen-bonded Turntrans-86.93-178.600000113.7S552 L703S552-A554 VanDerWaalsContact C-N 3.26Å; S552-A554 PolarHBondContact O-N 2.85Å; S552-A554 PolarHBondContact OG-N 2.84Å; A554-L703 WeakPolarHBondContact CA-O 3.43Å; A554-L703 WeakPolarHBondContact CB-O 3.3Å
555A87.9Confident87.2Confident2 Ų231.7 Ų31.72%0.01718%0.176CC..SBendtrans-99.3141.9-178.400000111.9H549 S552 D553 Y586 R607H549-A555 HydrophobicContact CB-CB 4.48Å; S552-A555 PolarHBondContact O-N 3.17Å; D553-A555 VanDerWaalsContact C-N 3.31Å; D553-A555 PolarHBondContact O-N 3.33Å; A555-Y586 HydrophobicContact CB-CD2 4.46Å; A555-R607 HydrophobicContact CB-CB 4.34Å
556C89.9Confident87.2Confident8 Ų833 Ų335%0.05418%0.183CC..EExtended strand (participates in β ladder)trans-71.7126.4168.5-63.80000109.3V558 I606 F608 L703C556-V558 HydrophobicContact CB-CG2 4.41Å; C556-V558 PolarHBondContact O-N 2.59Å; C556-I606 PolarHBondContact N-O 3.08Å; C556-I606 PolarHBondContact O-N 3.4Å; C556-F608 HydrophobicContact CB-CD2 4.12Å; C556-F608 HydrophobicContact CB-CE2 3.94Å; C556-L703 HydrophobicContact CB-CD1 4.44Å; C556-L703 WeakPolarHBondContact SG-CD1 3.42Å
557N91Very high87.2Confident22 Ų2238.7 Ų38.712%0.11822%0.215CC..EExtended strand (participates in β ladder)trans-80.9116172.2-169.67.6000110.5A545 T547 H549 L604A545-N557 HydrophobicContact CB-CB 4.36Å; A545-N557 PolarHBondContact N-O 2.89Å; T547-N557 WeakPolarHBondContact O-CB 3.33Å; T547-N557 PolarHBondContact OG1-ND2 2.63Å; H549-N557 HydrophobicContact CB-CB 4.21Å; N557-L604 WeakPolarHBondContact CA-O 3.42Å
558V92.3Very high87.5Confident0 Ų045.1 Ų45.10%023%0.233CC..EExtended strand (participates in β ladder)trans-118.1123.5-177.4-176.70000108.9C542 R543 F544 C556 L560 L604 I606 F631C542-V558 WeakPolarHBondContact SG-CG1 3.33Å; R543-V558 CarbonylContact O-C 3.6Å; R543-V558 WeakPolarHBondContact O-CA 3.42Å; F544-V558 HydrophobicContact CD1-CG2 3.71Å; F544-V558 HydrophobicContact CE1-CG2 3.53Å; F544-V558 HydrophobicContact CZ-CG2 4.35Å; C556-V558 HydrophobicContact CB-CG2 4.41Å; C556-V558 PolarHBondContact O-N 2.59Å; V558-L560 HydrophobicContact CG1-CD2 4.22Å; V558-L604 PolarHBondContact N-O 3.01Å; V558-L604 PolarHBondContact O-N 3.16Å; V558-I606 HydrophobicContact CB-CD1 4.26Å; V558-I606 HydrophobicContact CG2-CD1 3.99Å; V558-I606 HydrophobicContact CG2-CG1 4.39Å; V558-F631 HydrophobicContact CG1-CE2 4.01Å; V558-F631 HydrophobicContact CG1-CZ 3.91Å; V558-F631 HydrophobicContact CG2-CE2 4.47Å
559E91.3Very high88Confident31 Ų3146.5 Ų46.515%0.14524%0.241CC..EExtended strand (participates in β ladder)trans-96.6119.6174-170.9-171.3169.700109.6C542 R543 Q561 P601 M602C542-E559 CarbonylContact C-O 3.48Å; C542-E559 WeakPolarHBondContact CA-O 3.48Å; R543-E559 IonicContact CZ-OE2 2.88Å; R543-E559 VanDerWaalsContact CZ-OE2 3.28Å; R543-E559 PolarHBondContact N-O 3.42Å; R543-E559 IonicContact NE-OE2 3.97Å; R543-E559 PolarHBondContact NE-OE2 3.46Å; R543-E559 IonicContact NH2-OE2 3.89Å; R543-E559 PolarHBondContact NH2-OE2 3.06Å; R543-E559 PolarHBondContact O-N 3.29Å; E559-Q561 HydrophobicContact CG-CG 4.39Å; E559-Q561 PolarHBondContact OE1-NE2 3.02Å; E559-P601 HydrophobicContact CG-CB 4.17Å; E559-P601 VanDerWaalsContact OE1-CB 3.31Å; E559-P601 WeakPolarHBondContact OE1-CB 3.4Å; E559-M602 CarbonylContact C-O 3.58Å; E559-M602 WeakPolarHBondContact CA-O 3.37Å
560L92.6Very high88.4Confident0 Ų046.2 Ų46.20%024%0.24CC..EExtended strand (participates in β ladder)trans-98.7126169-61.1-172.6000109.4I529 V540 T541 C542 V558 F562 L575 P601 M602 L604 F631I529-L560 HydrophobicContact CD1-CD2 3.98Å; V540-L560 HydrophobicContact CG1-CB 4.39Å; T541-L560 CarbonylContact O-C 3.53Å; T541-L560 WeakPolarHBondContact O-CA 3.5Å; C542-L560 HydrophobicContact CB-CD2 3.7Å; V558-L560 HydrophobicContact CG1-CD2 4.22Å; L560-F562 HydrophobicContact CB-CE2 3.74Å; L560-F562 HydrophobicContact CB-CZ 4.06Å; L560-F562 HydrophobicContact CD1-CZ 4.1Å; L560-L575 HydrophobicContact CD1-CD2 4.11Å; L560-P601 CarbonylContact O-C 3.55Å; L560-P601 WeakPolarHBondContact O-CA 3.45Å; L560-M602 PolarHBondContact N-O 2.96Å; L560-M602 PolarHBondContact O-N 3.42Å; L560-L604 HydrophobicContact CD1-CD1 3.45Å; L560-L604 VanDerWaalsContact CD1-CD1 3.45Å; L560-L604 HydrophobicContact CD1-CG 4.44Å; L560-L604 HydrophobicContact CG-CD1 3.93Å; L560-F631 HydrophobicContact CD2-CE1 4.23Å; L560-F631 HydrophobicContact CD2-CZ 4.44Å
561Q91.5Very high89.1Confident65 Ų6546.7 Ų46.730%0.30424%0.238SC..EExtended strand (participates in β ladder)trans-107.9119174.2-59.4-170.1-17.800110V540 T541 E559 P601V540-Q561 WeakPolarHBondContact CA-O 3.45Å; T541-Q561 PolarHBondContact N-O 3.32Å; T541-Q561 PolarHBondContact O-N 3.28Å; E559-Q561 HydrophobicContact CG-CG 4.39Å; E559-Q561 PolarHBondContact OE1-NE2 3.02Å; Q561-P601 HydrophobicContact CG-CB 4.25Å
562F93.2Very high89.6Confident1 Ų146 Ų460%0.00423%0.229CC..EExtended strand (participates in β ladder)trans-97110.8177.8-60.7-91.9000108.7V538 V540 L560 V573 L575 V591 L594 C599 V600 M602 M619V538-F562 HydrophobicContact CG1-CB 4.13Å; V538-F562 HydrophobicContact CG1-CD1 4.11Å; V540-F562 HydrophobicContact CG1-CD1 4.3Å; V540-F562 HydrophobicContact CG1-CE1 4.04Å; V540-F562 HydrophobicContact CG1-CZ 4.38Å; V540-F562 HydrophobicContact CG2-CD1 3.67Å; V540-F562 HydrophobicContact CG2-CE1 3.8Å; L560-F562 HydrophobicContact CB-CE2 3.74Å; L560-F562 HydrophobicContact CB-CZ 4.06Å; L560-F562 HydrophobicContact CD1-CZ 4.1Å; F562-V573 HydrophobicContact CD1-CG1 4.04Å; F562-V573 HydrophobicContact CE1-CG1 4.13Å; F562-L575 HydrophobicContact CE1-CD1 3.92Å; F562-L575 HydrophobicContact CZ-CD1 3.94Å; F562-V591 HydrophobicContact CD2-CG2 3.95Å; F562-V591 HydrophobicContact CE2-CG2 4.37Å; F562-V591 HydrophobicContact CG-CG2 4.27Å; F562-L594 HydrophobicContact CB-CD2 4.27Å; F562-C599 CarbonylContact O-C 3.4Å; F562-C599 WeakPolarHBondContact O-CA 3.49Å; F562-V600 PolarHBondContact N-O 3.07Å; F562-V600 PolarHBondContact O-N 3.14Å; F562-M602 HydrophobicContact CD2-CB 4.37Å; F562-M602 HydrophobicContact CD2-CE 4.35Å; F562-M602 HydrophobicContact CE2-CB 3.84Å; F562-M602 HydrophobicContact CE2-CE 3.62Å; F562-M602 HydrophobicContact CE2-SD 4.01Å; F562-M602 HydrophobicContact CZ-CE 4.11Å; F562-M602 HydrophobicContact CZ-SD 4.4Å; F562-M619 HydrophobicContact CD1-SD 4.37Å; F562-M619 HydrophobicContact CE1-SD 4.11Å
563Q92.9Very high90Very high57 Ų5745.3 Ų45.327%0.26622%0.223SC..EExtended strand (participates in β ladder)trans-110.1121.2177.5-173.1-176.21900109.8V538 K539 Q565 Q598 C599V538-Q563 CarbonylContact C-O 3.52Å; V538-Q563 WeakPolarHBondContact CA-O 3.34Å; K539-Q563 HydrophobicContact CB-CB 4.43Å; K539-Q563 PolarHBondContact N-O 2.92Å; K539-Q563 PolarHBondContact O-N 3.25Å; Q563-Q565 HydrophobicContact CG-CG 4.16Å; Q563-Q565 PolarHBondContact O-N 3.38Å; Q563-Q565 VanDerWaalsContact OE1-NE2 3.16Å; Q563-Q598 WeakPolarHBondContact CA-O 3.23Å; Q563-C599 HydrophobicContact CB-CB 4.34Å; Q563-C599 HydrophobicContact CG-CB 4.31Å
564N94.1Very high90.6Very high0 Ų047.7 Ų47.70%023%0.233CC..EExtended strand (participates in β ladder)trans-79.1120.2170.6178.82.8000109.4T566 R568 I570 L594 R595 D597 Q598N564-T566 WeakPolarHBondContact OD1-CB 3.5Å; N564-T566 PolarHBondContact OD1-N 3.39Å; N564-T566 PolarHBondContact OD1-OG1 3.42Å; N564-R568 PolarHBondContact ND2-O 3.28Å; N564-I570 HydrophobicContact CB-CD1 4.21Å; N564-L594 HydrophobicContact CB-CD2 3.72Å; N564-L594 HydrophobicContact CB-CG 3.72Å; N564-L594 PolarHBondContact ND2-O 3.03Å; N564-R595 WeakPolarHBondContact CB-O 3.33Å; N564-R595 PolarHBondContact ND2-O 3.32Å; N564-D597 WeakPolarHBondContact O-CA 3.25Å; N564-D597 PolarHBondContact O-N 3.04Å; N564-Q598 PolarHBondContact N-O 2.82Å
565Q91.8Very high90.7Very high68 Ų6847.4 Ų47.432%0.31823%0.23SC..  trans-111.525178.4-61.2-166.6-22.600112.3K532 G537 K539 Q563K532-Q565 HydrophobicContact CB-CB 4.3Å; K532-Q565 HydrophobicContact CD-CB 4.49Å; G537-Q565 PolarHBondContact O-N 3.16Å; K539-Q565 HydrophobicContact CB-CG 4.29Å; Q563-Q565 HydrophobicContact CG-CG 4.16Å; Q563-Q565 PolarHBondContact O-N 3.38Å; Q563-Q565 VanDerWaalsContact OE1-NE2 3.16Å
566T89.5Confident90.7Very high38 Ų3849.4 Ų49.423%0.23324%0.243CC..SBendtrans-109.5163.2174.371.90000110.5N564 R568 S596N564-T566 WeakPolarHBondContact OD1-CB 3.5Å; N564-T566 PolarHBondContact OD1-N 3.39Å; N564-T566 PolarHBondContact OD1-OG1 3.42Å; T566-R568 PolarHBondContact O-N 2.81Å; T566-R568 PolarHBondContact OG1-N 2.8Å; T566-R568 PolarHBondContact OG1-O 3.28Å; T566-S596 WeakPolarHBondContact O-CA 3.39Å; T566-S596 VanDerWaalsContact O-CB 3.28Å; T566-S596 WeakPolarHBondContact O-CB 3.45Å; T566-S596 PolarHBondContact O-OG 3.38Å
567D89.7Confident90.4Very high137 Ų13753.6 Ų53.673%0.73326%0.262SS*.SBendtrans-79.10.2175.961.3-28.7000113.6
568R90.3Very high89.9Confident188 Ų18857.3 Ų57.371%0.70928%0.279SS*.SBendtrans-114.2156.1-177.5-61.2-179-173.3-174.3-0.5110.6N564 T566N564-R568 PolarHBondContact ND2-O 3.28Å; T566-R568 PolarHBondContact O-N 2.81Å; T566-R568 PolarHBondContact OG1-N 2.8Å; T566-R568 PolarHBondContact OG1-O 3.28Å
569T90.9Very high88.9Confident76 Ų7658.9 Ų58.947%0.46629%0.29SS..  trans-81.2130.7170.3-59.60000108.6R595T569-R595 HydrophobicContact CG2-CG 4.25Å
570I90.1Very high87.7Confident7 Ų760.4 Ų60.44%0.03630%0.302CS..EExtended strand (participates in β ladder)trans-91.1124175.1-66.1172.8000107.2V538 N564 V573 N593 L594 V621V538-I570 HydrophobicContact CG2-CD1 3.29Å; N564-I570 HydrophobicContact CB-CD1 4.21Å; I570-V573 HydrophobicContact CG2-CG2 3.81Å; I570-N593 CarbonylContact O-C 3.59Å; I570-N593 WeakPolarHBondContact O-CA 3.42Å; I570-N593 PolarHBondContact O-N 2.79Å; I570-L594 HydrophobicContact CB-CB 4.37Å; I570-L594 PolarHBondContact N-O 3.1Å; I570-L594 PolarHBondContact O-N 3.36Å; I570-V621 HydrophobicContact CD1-CG1 4.19Å; I570-V621 HydrophobicContact CG1-CG1 4.5Å; I570-V621 HydrophobicContact CG2-CG1 3.63Å
571E89.3Confident86.2Confident139 Ų13966.6 Ų66.665%0.6535%0.345SS*.EExtended strand (participates in β ladder)trans-76.5-40.9-171.5-63.5-169.716900111.4K592 N593 D622E571-K592 CarbonylContact O-C 3.59Å; E571-K592 VanDerWaalsContact O-CA 3.29Å; E571-K592 WeakPolarHBondContact O-CA 3.31Å; E571-N593 PolarHBondContact O-N 2.9Å; E571-D622 WeakPolarHBondContact CA-OD1 3.48Å; E571-D622 PolarHBondContact N-OD1 2.9Å
572L89.7Confident85.2Confident64 Ų6467.3 Ų67.334%0.33535%0.351SS..EExtended strand (participates in β ladder)trans-148.6125.7-176.9-171.969.2000112.7V591 K592 D622L572-V591 CarbonylContact C-O 3.6Å; L572-V591 WeakPolarHBondContact CA-O 3.14Å; L572-K592 HydrophobicContact CD1-CD 4.49Å; L572-K592 HydrophobicContact CD1-CG 3.66Å; L572-D622 PolarHBondContact N-OD1 3.45Å; L572-D622 PolarHBondContact O-N 3.36Å
573V89.1Confident84.6Confident2 Ų267.8 Ų67.81%0.01235%0.354CS..EExtended strand (participates in β ladder)trans-108.6110.1162.8-175.10000107.8V538 F562 I570 S590 V591 M619 K620V538-V573 HydrophobicContact CG2-CG2 4.03Å; F562-V573 HydrophobicContact CD1-CG1 4.04Å; F562-V573 HydrophobicContact CE1-CG1 4.13Å; I570-V573 HydrophobicContact CG2-CG2 3.81Å; V573-S590 CarbonylContact O-C 3.53Å; V573-S590 VanDerWaalsContact O-CA 3.26Å; V573-S590 WeakPolarHBondContact O-CA 3.19Å; V573-S590 WeakPolarHBondContact O-CB 3.3Å; V573-V591 HydrophobicContact CB-CB 4.19Å; V573-V591 PolarHBondContact N-O 3.48Å; V573-V591 PolarHBondContact O-N 3.29Å; V573-M619 HydrophobicContact CG1-CG 3.68Å; V573-M619 HydrophobicContact CG1-SD 3.79Å; V573-K620 WeakPolarHBondContact CA-O 3.36Å
574H90.1Very high84.1Confident82 Ų8268.6 Ų68.638%0.3836%0.358SS..EExtended strand (participates in β ladder)trans-101.2127.1177.5-177.7-83.3000110S590 M619 K620H574-S590 PolarHBondContact CD2-OG 2.92Å; H574-M619 CarbonylContact O-C 3.44Å; H574-M619 WeakPolarHBondContact O-CA 3.36Å; H574-K620 HydrophobicContact CB-CB 4.45Å; H574-K620 PolarHBondContact N-O 3.19Å; H574-K620 PolarHBondContact O-N 2.85Å
575L88.5Confident83.8Confident8 Ų869.4 Ų69.44%0.04236%0.363CS..EExtended strand (participates in β ladder)trans-107.3129.4174.5-141.289.8000110L560 F562 L588 F617 M619 F629L560-L575 HydrophobicContact CD1-CD2 4.11Å; F562-L575 HydrophobicContact CE1-CD1 3.92Å; F562-L575 HydrophobicContact CZ-CD1 3.94Å; L575-L588 HydrophobicContact CB-CD2 4.11Å; L575-L588 HydrophobicContact CD2-CD2 3.6Å; L575-L588 HydrophobicContact CG-CD2 4.35Å; L575-F617 HydrophobicContact CD2-CB 4.06Å; L575-F617 HydrophobicContact CD2-CD1 3.56Å; L575-F617 HydrophobicContact CD2-CE1 4.16Å; L575-F617 HydrophobicContact CD2-CG 3.85Å; L575-F617 HydrophobicContact CG-CB 4.22Å; L575-F617 HydrophobicContact CG-CD1 4.33Å; L575-M619 HydrophobicContact CD1-CB 3.85Å; L575-M619 HydrophobicContact CD1-CG 4.02Å; L575-F629 HydrophobicContact CD1-CE1 3.97Å; L575-F629 HydrophobicContact CD1-CZ 3.91Å; L575-F629 HydrophobicContact CD2-CZ 4.41Å
576S86.7Confident83.5Confident44 Ų4469.4 Ų69.431%0.30836%0.361SS..EExtended strand (participates in β ladder)trans-122.9141172.553.40000110.1F617 A618S576-F617 CarbonylContact O-C 3.52Å; S576-F617 VanDerWaalsContact O-CA 3.3Å; S576-F617 WeakPolarHBondContact O-CA 3.39Å; S576-A618 PolarHBondContact N-O 3.06Å; S576-A618 PolarHBondContact O-N 3.36Å; S576-A618 WeakPolarHBondContact OG-CB 3.36Å; S576-A618 PolarHBondContact OG-O 3.38Å
577E83.4Confident83.3Confident96 Ų9669.5 Ų69.545%0.44937%0.369SS..EExtended strand (participates in β ladder)trans-79.7140174.857.1-179.1-173.600111.4V585 L588 F617E577-V585 WeakPolarHBondContact OE2-CB 2.97Å; E577-V585 VanDerWaalsContact OE2-CG2 3.28Å; E577-V585 WeakPolarHBondContact OE2-CG2 3.43Å; E577-L588 HydrophobicContact CB-CD1 3.91Å; E577-L588 HydrophobicContact CG-CD1 3.95Å; E577-F617 HydrophobicContact CB-CD1 4.37Å; E577-F617 HydrophobicContact CB-CE1 4.31Å
578Q80.6Confident83Confident101 Ų10165.7 Ų65.747%0.47235%0.348SS..  trans-127.255.2172.6-68.7-172.4-17.900109.1S616 A618 N628Q578-S616 PolarHBondContact N-O 2.86Å; Q578-A618 HydrophobicContact CG-CB 4.14Å; Q578-N628 PolarHBondContact OE1-ND2 3.15Å
579C72.7Confident82.7Confident33 Ų3359.7 Ų59.722%0.22334%0.335CS..  trans-106.9151.5-173.3-65.90000112.2V583 V615 S616C579-V583 HydrophobicContact CB-CB 4.21Å; C579-V615 WeakPolarHBondContact SG-CG1 3.49Å; C579-S616 PolarHBondContact SG-N 2.92Å; C579-S616 PolarHBondContact SG-O 2.83Å
580P64.5Low82.6Confident63 Ų6358.3 Ų58.341%0.40933%0.328SS..  trans-61.1154.8167.124.4-30.4000110.9N582 V583P580-N582 VanDerWaalsContact CB-OD1 3.3Å; P580-N582 WeakPolarHBondContact CB-OD1 3.49Å; P580-N582 VanDerWaalsContact CG-OD1 3.25Å; P580-N582 WeakPolarHBondContact CG-OD1 3.33Å; P580-N582 PolarHBondContact O-N 2.94Å; P580-N582 PolarHBondContact O-OD1 2.85Å; P580-V583 PolarHBondContact O-N 3.18Å; P580-V583 VanDerWaalsContact O-N 3.09Å
581S62.9Low82.5Confident129 Ų12958.5 Ų58.590%0.90233%0.33SS*.THydrogen-bonded Turntrans-60.5-14-172.551.90000115.4
582N69.8Low82.6Confident81 Ų8159.3 Ų59.343%0.43333%0.331SS..THydrogen-bonded Turntrans-81-17.2177.662.2-25.8000113.9P580P580-N582 VanDerWaalsContact CB-OD1 3.3Å; P580-N582 WeakPolarHBondContact CB-OD1 3.49Å; P580-N582 VanDerWaalsContact CG-OD1 3.25Å; P580-N582 WeakPolarHBondContact CG-OD1 3.33Å; P580-N582 PolarHBondContact O-N 2.94Å; P580-N582 PolarHBondContact O-OD1 2.85Å
583V79.8Confident82.7Confident10 Ų1061.2 Ų61.26%0.06134%0.342CS..  trans-100.5131.5176.1179.80000109.4C579 P580 V585 I606 R607 V615C579-V583 HydrophobicContact CB-CB 4.21Å; P580-V583 PolarHBondContact O-N 3.18Å; P580-V583 VanDerWaalsContact O-N 3.09Å; V583-V585 HydrophobicContact CG1-CG2 4.47Å; V583-I606 HydrophobicContact CG1-CG2 3.83Å; V583-R607 WeakPolarHBondContact CA-O 3.36Å; V583-V615 HydrophobicContact CG1-CG1 4.34Å; V583-V615 HydrophobicContact CG1-CG2 3.68Å; V583-V615 HydrophobicContact CG2-CG2 4.29Å
584Q83.9Confident82.7Confident74 Ų7461.1 Ų61.135%0.34634%0.341SS..EExtended strand (participates in β ladder)trans-112.8128.7174.8-63.1174.4-21.600110Y586 I606 R607Q584-Y586 HydrophobicContact CB-CE2 3.83Å; Q584-Y586 PolarHBondContact OE1-OH 3.18Å; Q584-I606 WeakPolarHBondContact O-CA 3.34Å; Q584-R607 HydrophobicContact CB-CB 4.2Å; Q584-R607 PolarHBondContact N-O 3.25Å; Q584-R607 PolarHBondContact O-N 3.45Å
585V87.4Confident82.9Confident18 Ų1865.4 Ų65.411%0.10935%0.354CS..EExtended strand (participates in β ladder)trans-109.6132.3174-170.30000110E577 V583 L588 L604 G605 I606 V615 F617E577-V585 WeakPolarHBondContact OE2-CB 2.97Å; E577-V585 VanDerWaalsContact OE2-CG2 3.28Å; E577-V585 WeakPolarHBondContact OE2-CG2 3.43Å; V583-V585 HydrophobicContact CG1-CG2 4.47Å; V585-L588 HydrophobicContact CB-CD1 3.99Å; V585-L588 HydrophobicContact CB-CG 4.45Å; V585-L588 HydrophobicContact CG1-CD1 3.84Å; V585-L588 HydrophobicContact CG1-CD2 4.3Å; V585-L588 HydrophobicContact CG1-CG 3.77Å; V585-L604 HydrophobicContact CG1-CD1 4.5Å; V585-L604 HydrophobicContact CG1-CD2 4.49Å; V585-G605 CarbonylContact C-O 3.55Å; V585-G605 WeakPolarHBondContact CA-O 3.31Å; V585-I606 HydrophobicContact CG1-CG1 4.16Å; V585-I606 HydrophobicContact CG2-CG1 4.41Å; V585-V615 HydrophobicContact CG2-CG1 4.22Å; V585-F617 HydrophobicContact CG1-CE1 4.08Å; V585-F617 HydrophobicContact CG1-CZ 4.25Å; V585-F617 HydrophobicContact CG2-CE1 4.07Å; V585-F617 HydrophobicContact CG2-CZ 4.08Å
586Y85.8Confident83Confident68 Ų6867.5 Ų67.527%0.26737%0.369SS..EExtended strand (participates in β ladder)trans-116.5148.2176.9-58.4-84.5000109.4A555 Q584 L604 G605A555-Y586 HydrophobicContact CB-CD2 4.46Å; Q584-Y586 HydrophobicContact CB-CE2 3.83Å; Q584-Y586 PolarHBondContact OE1-OH 3.18Å; Y586-L604 CarbonylContact O-C 3.55Å; Y586-L604 VanDerWaalsContact O-CA 3.31Å; Y586-L604 WeakPolarHBondContact O-CA 3.4Å; Y586-G605 WeakPolarHBondContact CD2-O 3.48Å; Y586-G605 PolarHBondContact N-O 3.06Å; Y586-G605 PolarHBondContact O-N 3.11Å
587G83.4Confident83Confident39 Ų3970.9 Ų70.940%0.40238%0.384SS..  trans84.88.9174.500000115.4S589 L604G587-S589 PolarHBondContact O-N 3.44Å; G587-L604 VanDerWaalsContact C-CD2 3.48Å; G587-L604 WeakPolarHBondContact O-CD2 3.4Å
588L84.8Confident83.5Confident57 Ų5769.9 Ų69.930%0.29838%0.379SS..  trans-59.1123.7173.5-77.4166000110.3L575 E577 V585 L604 F617L575-L588 HydrophobicContact CB-CD2 4.11Å; L575-L588 HydrophobicContact CD2-CD2 3.6Å; L575-L588 HydrophobicContact CG-CD2 4.35Å; E577-L588 HydrophobicContact CB-CD1 3.91Å; E577-L588 HydrophobicContact CG-CD1 3.95Å; V585-L588 HydrophobicContact CB-CD1 3.99Å; V585-L588 HydrophobicContact CB-CG 4.45Å; V585-L588 HydrophobicContact CG1-CD1 3.84Å; V585-L588 HydrophobicContact CG1-CD2 4.3Å; V585-L588 HydrophobicContact CG1-CG 3.77Å; L588-L604 HydrophobicContact CD2-CD1 4.44Å; L588-L604 HydrophobicContact CD2-CD2 4.09Å; L588-L604 HydrophobicContact CG-CD2 4.24Å; L588-F617 HydrophobicContact CD2-CD1 4.22Å; L588-F617 HydrophobicContact CD2-CE1 4Å
589S84.5Confident83.9Confident62 Ų6267.7 Ų67.743%0.43438%0.375SS..  trans-145.1164.3179.353.80000109.5G587 M602G587-S589 PolarHBondContact O-N 3.44Å; S589-M602 WeakPolarHBondContact O-CE 3.38Å
590S87.9Confident84.9Confident47 Ų4768 Ų6833%0.32938%0.375SS..  trans-98.4140.3174.3-56.60000110.6V573 H574V573-S590 CarbonylContact O-C 3.53Å; V573-S590 VanDerWaalsContact O-CA 3.26Å; V573-S590 WeakPolarHBondContact O-CA 3.19Å; V573-S590 WeakPolarHBondContact O-CB 3.3Å; H574-S590 PolarHBondContact CD2-OG 2.92Å
591V88.7Confident86.1Confident12 Ų1268.7 Ų68.77%0.07338%0.38CS..EExtended strand (participates in β ladder)trans-90.3123.4174.4-175.90000108.3F562 L572 V573 L594 V600 M602F562-V591 HydrophobicContact CD2-CG2 3.95Å; F562-V591 HydrophobicContact CE2-CG2 4.37Å; F562-V591 HydrophobicContact CG-CG2 4.27Å; L572-V591 CarbonylContact C-O 3.6Å; L572-V591 WeakPolarHBondContact CA-O 3.14Å; V573-V591 HydrophobicContact CB-CB 4.19Å; V573-V591 PolarHBondContact N-O 3.48Å; V573-V591 PolarHBondContact O-N 3.29Å; V591-L594 HydrophobicContact CG1-CB 4.35Å; V591-L594 HydrophobicContact CG1-CD1 4.29Å; V591-V600 HydrophobicContact CG1-CB 4.08Å; V591-V600 HydrophobicContact CG1-CG1 4Å; V591-V600 HydrophobicContact CG1-CG2 4.25Å; V591-V600 HydrophobicContact CG2-CG1 4.4Å; V591-M602 HydrophobicContact CG2-CE 3.57Å
592K91.3Very high87.5Confident156 Ų15663.2 Ų63.268%0.67834%0.34SS*.EExtended strand (participates in β ladder)trans-106.6146.7179.4-63.7-174.7179.3-174.90111.2E571 L572 L594E571-K592 CarbonylContact O-C 3.59Å; E571-K592 VanDerWaalsContact O-CA 3.29Å; E571-K592 WeakPolarHBondContact O-CA 3.31Å; L572-K592 HydrophobicContact CD1-CD 4.49Å; L572-K592 HydrophobicContact CD1-CG 3.66Å; K592-L594 PolarHBondContact O-N 2.59Å
593N90.3Very high88.4Confident104 Ų10462 Ų6256%0.55634%0.341SS*.EExtended strand (participates in β ladder)trans52.851.2171.3-63.9-36.3000114.1I570 E571 R595I570-N593 CarbonylContact O-C 3.59Å; I570-N593 WeakPolarHBondContact O-CA 3.42Å; I570-N593 PolarHBondContact O-N 2.79Å; E571-N593 PolarHBondContact O-N 2.9Å; N593-R595 PolarHBondContact O-N 3.42Å
594L90.9Very high88.9Confident0 Ų061.5 Ų61.50%034%0.338CS..EExtended strand (participates in β ladder)trans-78.6101.4178.7-171.468000110.1V538 F562 N564 I570 V591 K592 Q598 V600V538-L594 HydrophobicContact CG1-CD2 4.47Å; F562-L594 HydrophobicContact CB-CD2 4.27Å; N564-L594 HydrophobicContact CB-CD2 3.72Å; N564-L594 HydrophobicContact CB-CG 3.72Å; N564-L594 PolarHBondContact ND2-O 3.03Å; I570-L594 HydrophobicContact CB-CB 4.37Å; I570-L594 PolarHBondContact N-O 3.1Å; I570-L594 PolarHBondContact O-N 3.36Å; V591-L594 HydrophobicContact CG1-CB 4.35Å; V591-L594 HydrophobicContact CG1-CD1 4.29Å; K592-L594 PolarHBondContact O-N 2.59Å; L594-Q598 HydrophobicContact CD1-CB 4Å; L594-Q598 HydrophobicContact CD1-CG 4.04Å; L594-V600 HydrophobicContact CD1-CB 4Å; L594-V600 HydrophobicContact CD1-CG2 3.41Å; L594-V600 VanDerWaalsContact CD1-CG2 3.41Å
595R92.5Very high89.2Confident171 Ų17158 Ų5865%0.64532%0.322SS*.  trans-68.8162.6-177-60177.9-177.1-179.80.1112.1N564 T569 N593 D597 Q598N564-R595 WeakPolarHBondContact CB-O 3.33Å; N564-R595 PolarHBondContact ND2-O 3.32Å; T569-R595 HydrophobicContact CG2-CG 4.25Å; N593-R595 PolarHBondContact O-N 3.42Å; R595-D597 PolarHBondContact O-N 2.86Å; R595-Q598 HydrophobicContact CB-CB 4.2Å; R595-Q598 WeakPolarHBondContact O-CB 3.34Å; R595-Q598 PolarHBondContact O-N 2.82Å
596S90.9Very high89.4Confident52 Ų5257.1 Ų57.136%0.36432%0.317SS..THydrogen-bonded Turntrans-49131.8172.5-1790000111T566 Q598T566-S596 WeakPolarHBondContact O-CA 3.39Å; T566-S596 VanDerWaalsContact O-CB 3.28Å; T566-S596 WeakPolarHBondContact O-CB 3.45Å; T566-S596 PolarHBondContact O-OG 3.38Å; S596-Q598 PolarHBondContact O-N 3.14Å
597D88.1Confident89.5Confident116 Ų11657.8 Ų57.862%0.6232%0.319SS*.THydrogen-bonded Turntrans59.36.5-177.6-65-50.4000116.3N564 R595N564-D597 WeakPolarHBondContact O-CA 3.25Å; N564-D597 PolarHBondContact O-N 3.04Å; R595-D597 PolarHBondContact O-N 2.86Å
598Q92Very high89.7Confident74 Ų7456.1 Ų56.135%0.34630%0.301SS..  trans-74.9139.4175.6-168.9179.6-3.500110.6Q563 N564 L594 R595 S596 V600Q563-Q598 WeakPolarHBondContact CA-O 3.23Å; N564-Q598 PolarHBondContact N-O 2.82Å; L594-Q598 HydrophobicContact CD1-CB 4Å; L594-Q598 HydrophobicContact CD1-CG 4.04Å; R595-Q598 HydrophobicContact CB-CB 4.2Å; R595-Q598 WeakPolarHBondContact O-CB 3.34Å; R595-Q598 PolarHBondContact O-N 2.82Å; S596-Q598 PolarHBondContact O-N 3.14Å; Q598-V600 HydrophobicContact CG-CG2 4.26Å
599C90.6Very high89.6Confident56 Ų5655.5 Ų55.538%0.37831%0.308SS..EExtended strand (participates in β ladder)trans-117124.5173.4-169.20000109.8F562 Q563F562-C599 CarbonylContact O-C 3.4Å; F562-C599 WeakPolarHBondContact O-CA 3.49Å; Q563-C599 HydrophobicContact CB-CB 4.34Å; Q563-C599 HydrophobicContact CG-CB 4.31Å
600V92.6Very high89.4Confident38 Ų3853.8 Ų53.823%0.2329%0.294CS..EExtended strand (participates in β ladder)trans-119.1120.8179.4174.20000109.6F562 V591 L594 Q598F562-V600 PolarHBondContact N-O 3.07Å; F562-V600 PolarHBondContact O-N 3.14Å; V591-V600 HydrophobicContact CG1-CB 4.08Å; V591-V600 HydrophobicContact CG1-CG1 4Å; V591-V600 HydrophobicContact CG1-CG2 4.25Å; V591-V600 HydrophobicContact CG2-CG1 4.4Å; L594-V600 HydrophobicContact CD1-CB 4Å; L594-V600 HydrophobicContact CD1-CG2 3.41Å; L594-V600 VanDerWaalsContact CD1-CG2 3.41Å; Q598-V600 HydrophobicContact CG-CG2 4.26Å
601P90.4Very high89.1Confident79 Ų7952.8 Ų52.851%0.51329%0.286SS..EExtended strand (participates in β ladder)trans-82.1147.3173.233.8-33.8000111.6E559 L560 Q561E559-P601 HydrophobicContact CG-CB 4.17Å; E559-P601 VanDerWaalsContact OE1-CB 3.31Å; E559-P601 WeakPolarHBondContact OE1-CB 3.4Å; L560-P601 CarbonylContact O-C 3.55Å; L560-P601 WeakPolarHBondContact O-CA 3.45Å; Q561-P601 HydrophobicContact CG-CB 4.25Å
602M91.2Very high88.8Confident13 Ų1355.6 Ų55.66%0.06430%0.304CS..EExtended strand (participates in β ladder)trans-134.1125.1174.1-176.7-172.9-63.400108.2E559 L560 F562 S589 V591 L604E559-M602 CarbonylContact C-O 3.58Å; E559-M602 WeakPolarHBondContact CA-O 3.37Å; L560-M602 PolarHBondContact N-O 2.96Å; L560-M602 PolarHBondContact O-N 3.42Å; F562-M602 HydrophobicContact CD2-CB 4.37Å; F562-M602 HydrophobicContact CD2-CE 4.35Å; F562-M602 HydrophobicContact CE2-CB 3.84Å; F562-M602 HydrophobicContact CE2-CE 3.62Å; F562-M602 HydrophobicContact CE2-SD 4.01Å; F562-M602 HydrophobicContact CZ-CE 4.11Å; F562-M602 HydrophobicContact CZ-SD 4.4Å; S589-M602 WeakPolarHBondContact O-CE 3.38Å; V591-M602 HydrophobicContact CG2-CE 3.57Å; M602-L604 HydrophobicContact CG-CD2 4.19Å; M602-L604 HydrophobicContact SD-CD2 3.95Å
603A89.2Confident88.5Confident55 Ų5552.7 Ų52.746%0.45529%0.293SS..EExtended strand (participates in β ladder)trans-92.9126.8175.700000110
604L91Very high88.4Confident0 Ų051 Ų510%029%0.287CS..EExtended strand (participates in β ladder)trans-117.1138.9176.5-61.4-178.5000109.8N557 V558 L560 V585 Y586 G587 L588 M602 I606 F617N557-L604 WeakPolarHBondContact CA-O 3.42Å; V558-L604 PolarHBondContact N-O 3.01Å; V558-L604 PolarHBondContact O-N 3.16Å; L560-L604 HydrophobicContact CD1-CD1 3.45Å; L560-L604 VanDerWaalsContact CD1-CD1 3.45Å; L560-L604 HydrophobicContact CD1-CG 4.44Å; L560-L604 HydrophobicContact CG-CD1 3.93Å; V585-L604 HydrophobicContact CG1-CD1 4.5Å; V585-L604 HydrophobicContact CG1-CD2 4.49Å; Y586-L604 CarbonylContact O-C 3.55Å; Y586-L604 VanDerWaalsContact O-CA 3.31Å; Y586-L604 WeakPolarHBondContact O-CA 3.4Å; G587-L604 VanDerWaalsContact C-CD2 3.48Å; G587-L604 WeakPolarHBondContact O-CD2 3.4Å; L588-L604 HydrophobicContact CD2-CD1 4.44Å; L588-L604 HydrophobicContact CD2-CD2 4.09Å; L588-L604 HydrophobicContact CG-CD2 4.24Å; M602-L604 HydrophobicContact CG-CD2 4.19Å; M602-L604 HydrophobicContact SD-CD2 3.95Å; L604-I606 HydrophobicContact CB-CG1 4.35Å; L604-F617 HydrophobicContact CD1-CZ 4.32Å
605G89.7Confident88.3Confident0 Ų051 Ų510%029%0.287CS..EExtended strand (participates in β ladder)trans-98.9114.8167.600000109H549 V585 Y586H549-G605 VanDerWaalsContact CD2-CA 3.44Å; H549-G605 WeakPolarHBondContact CD2-CA 3.47Å; H549-G605 PolarHBondContact CD2-N 3.32Å; H549-G605 VanDerWaalsContact CD2-N 3.3Å; H549-G605 VanDerWaalsContact CG-CA 3.43Å; H549-G605 PolarHBondContact NE2-N 2.94Å; V585-G605 CarbonylContact C-O 3.55Å; V585-G605 WeakPolarHBondContact CA-O 3.31Å; Y586-G605 WeakPolarHBondContact CD2-O 3.48Å; Y586-G605 PolarHBondContact N-O 3.06Å; Y586-G605 PolarHBondContact O-N 3.11Å
606I90.9Very high88.1Confident0 Ų044.7 Ų44.70%027%0.269CS..EExtended strand (participates in β ladder)trans-114.1115.8179.6-55.7175.5000109.4C556 V558 V583 Q584 V585 L604 F608 V615 F617 F631C556-I606 PolarHBondContact N-O 3.08Å; C556-I606 PolarHBondContact O-N 3.4Å; V558-I606 HydrophobicContact CB-CD1 4.26Å; V558-I606 HydrophobicContact CG2-CD1 3.99Å; V558-I606 HydrophobicContact CG2-CG1 4.39Å; V583-I606 HydrophobicContact CG1-CG2 3.83Å; Q584-I606 WeakPolarHBondContact O-CA 3.34Å; V585-I606 HydrophobicContact CG1-CG1 4.16Å; V585-I606 HydrophobicContact CG2-CG1 4.41Å; L604-I606 HydrophobicContact CB-CG1 4.35Å; I606-F608 HydrophobicContact CB-CD2 4.22Å; I606-F608 HydrophobicContact CB-CE2 3.61Å; I606-F608 HydrophobicContact CB-CZ 4.05Å; I606-F608 HydrophobicContact CD1-CZ 4.39Å; I606-F608 HydrophobicContact CG2-CD1 4.38Å; I606-F608 HydrophobicContact CG2-CD2 3.81Å; I606-F608 HydrophobicContact CG2-CE1 4.05Å; I606-F608 HydrophobicContact CG2-CE2 3.39Å; I606-F608 HydrophobicContact CG2-CG 4.28Å; I606-F608 HydrophobicContact CG2-CZ 3.51Å; I606-F608 WeakPolarHBondContact O-CD2 3.49Å; I606-F608 PolarHBondContact O-N 2.91Å; I606-V615 HydrophobicContact CD1-CG1 4.41Å; I606-V615 HydrophobicContact CG2-CG1 4.33Å; I606-V615 HydrophobicContact CG2-CG2 3.95Å; I606-F617 HydrophobicContact CD1-CE2 4.41Å; I606-F617 HydrophobicContact CD1-CZ 4.07Å; I606-F631 HydrophobicContact CD1-CE2 3.95Å; I606-F631 HydrophobicContact CD1-CZ 3.6Å
607R89.1Confident88.1Confident83 Ų8342.2 Ų42.231%0.31325%0.252SS..EExtended strand (participates in β ladder)trans-89.699.5173.7-169.7179.2-173.3170.82.5109.3A555 V583 Q584 G609A555-R607 HydrophobicContact CB-CB 4.34Å; V583-R607 WeakPolarHBondContact CA-O 3.36Å; Q584-R607 HydrophobicContact CB-CB 4.2Å; Q584-R607 PolarHBondContact N-O 3.25Å; Q584-R607 PolarHBondContact O-N 3.45Å; R607-G609 VanDerWaalsContact C-N 3.34Å
608F86.7Confident88.2Confident4 Ų436.8 Ų36.82%0.01822%0.224CC..  trans-76.4-20.6177.6-68.2-91.2000113.3F544 C556 I606 D610 S611 V615 A633 Q638F544-F608 HydrophobicContact CE1-CE2 4.49Å; C556-F608 HydrophobicContact CB-CD2 4.12Å; C556-F608 HydrophobicContact CB-CE2 3.94Å; I606-F608 HydrophobicContact CB-CD2 4.22Å; I606-F608 HydrophobicContact CB-CE2 3.61Å; I606-F608 HydrophobicContact CB-CZ 4.05Å; I606-F608 HydrophobicContact CD1-CZ 4.39Å; I606-F608 HydrophobicContact CG2-CD1 4.38Å; I606-F608 HydrophobicContact CG2-CD2 3.81Å; I606-F608 HydrophobicContact CG2-CE1 4.05Å; I606-F608 HydrophobicContact CG2-CE2 3.39Å; I606-F608 HydrophobicContact CG2-CG 4.28Å; I606-F608 HydrophobicContact CG2-CZ 3.51Å; I606-F608 WeakPolarHBondContact O-CD2 3.49Å; I606-F608 PolarHBondContact O-N 2.91Å; F608-D610 VanDerWaalsContact C-N 3.34Å; F608-D610 PolarHBondContact O-N 3Å; F608-S611 WeakPolarHBondContact O-CB 3.24Å; F608-S611 PolarHBondContact O-N 3.23Å; F608-S611 VanDerWaalsContact O-N 3.08Å; F608-V615 HydrophobicContact CD1-CG2 3.9Å; F608-V615 HydrophobicContact CE1-CB 4.37Å; F608-V615 HydrophobicContact CE1-CG2 3.36Å; F608-V615 HydrophobicContact CZ-CG2 4.03Å; F608-A633 HydrophobicContact CD1-CB 4.02Å; F608-A633 HydrophobicContact CD2-CB 3.74Å; F608-A633 HydrophobicContact CE1-CB 3.69Å; F608-A633 HydrophobicContact CE2-CB 3.42Å; F608-A633 VanDerWaalsContact CE2-CB 3.42Å; F608-A633 HydrophobicContact CG-CB 4.04Å; F608-A633 HydrophobicContact CZ-CB 3.41Å; F608-A633 VanDerWaalsContact CZ-CB 3.41Å; F608-Q638 VanDerWaalsContact CB-OE1 3.32Å
609G82.8Confident88.2Confident43 Ų4333.3 Ų33.344%0.44321%0.207SC..THydrogen-bonded Turntrans62.938.6179.200000113.3R607 S611R607-G609 VanDerWaalsContact C-N 3.34Å; G609-S611 PolarHBondContact O-N 3.25Å; G609-S611 VanDerWaalsContact O-N 3.11Å
610D80.2Confident88.2Confident27 Ų2734.4 Ų34.414%0.14421%0.205CC..THydrogen-bonded Turntrans62.19.4-173.2-56-23.2000114.8F608 A704 N731 I734F608-D610 VanDerWaalsContact C-N 3.34Å; F608-D610 PolarHBondContact O-N 3Å; D610-A704 WeakPolarHBondContact OD1-CB 3.23Å; D610-N731 VanDerWaalsContact CB-ND2 3.28Å; D610-N731 WeakPolarHBondContact CB-ND2 3.15Å; D610-N731 PolarHBondContact OD2-ND2 2.89Å; D610-I734 HydrophobicContact CB-CD1 3.69Å; D610-I734 HydrophobicContact CB-CG1 4.34Å; D610-I734 WeakPolarHBondContact OD1-CD1 3.33Å
611S82.8Confident88.2Confident25 Ų2532.6 Ų32.618%0.17520%0.195CC..  trans-75.6144174.5-1730000111.5F608 G609 Q613 Q638F608-S611 WeakPolarHBondContact O-CB 3.24Å; F608-S611 PolarHBondContact O-N 3.23Å; F608-S611 VanDerWaalsContact O-N 3.08Å; G609-S611 PolarHBondContact O-N 3.25Å; G609-S611 VanDerWaalsContact O-N 3.11Å; S611-Q613 VanDerWaalsContact C-N 3.34Å; S611-Q613 WeakPolarHBondContact OG-CB 3.43Å; S611-Q613 VanDerWaalsContact OG-CG 3.32Å; S611-Q613 WeakPolarHBondContact OG-CG 3.38Å; S611-Q613 PolarHBondContact OG-N 2.91Å; S611-Q613 VanDerWaalsContact OG-N 3.12Å; S611-Q638 PolarHBondContact O-NE2 3.38Å
612T82.2Confident88.1Confident71 Ų7131.2 Ų31.244%0.43618%0.183SC..  trans-93.74.7169.856.40000112.6V635T612-V635 HydrophobicContact CG2-CG2 3.88Å
613Q85.2Confident87.9Confident96 Ų9637.8 Ų37.845%0.44922%0.218SC..PPolyproline II helixtrans-67.8141.4179.8-68.8178.4-8.100111.4S611S611-Q613 VanDerWaalsContact C-N 3.34Å; S611-Q613 WeakPolarHBondContact OG-CB 3.43Å; S611-Q613 VanDerWaalsContact OG-CG 3.32Å; S611-Q613 WeakPolarHBondContact OG-CG 3.38Å; S611-Q613 PolarHBondContact OG-N 2.91Å; S611-Q613 VanDerWaalsContact OG-N 3.12Å
614P87.2Confident87.9Confident68 Ų6839.2 Ų39.244%0.44222%0.216SC..PPolyproline II helixtrans-71.4149.4175.630.9-34.5000111.3F631 A632P614-F631 WeakPolarHBondContact CA-O 3.48Å; P614-A632 HydrophobicContact CB-CB 4.19Å
615V88.6Confident87.7Confident0 Ų044.6 Ų44.60%025%0.248CC..EExtended strand (participates in β ladder)trans-101.7129.7176.9176.10000107.5C579 V583 V585 I606 F608 F617 S630 F631C579-V615 WeakPolarHBondContact SG-CG1 3.49Å; V583-V615 HydrophobicContact CG1-CG1 4.34Å; V583-V615 HydrophobicContact CG1-CG2 3.68Å; V583-V615 HydrophobicContact CG2-CG2 4.29Å; V585-V615 HydrophobicContact CG2-CG1 4.22Å; I606-V615 HydrophobicContact CD1-CG1 4.41Å; I606-V615 HydrophobicContact CG2-CG1 4.33Å; I606-V615 HydrophobicContact CG2-CG2 3.95Å; F608-V615 HydrophobicContact CD1-CG2 3.9Å; F608-V615 HydrophobicContact CE1-CB 4.37Å; F608-V615 HydrophobicContact CE1-CG2 3.36Å; F608-V615 HydrophobicContact CZ-CG2 4.03Å; V615-F617 HydrophobicContact CB-CE2 4.27Å; V615-F617 HydrophobicContact CG1-CD2 4.35Å; V615-F617 HydrophobicContact CG1-CE1 4.32Å; V615-F617 HydrophobicContact CG1-CE2 3.43Å; V615-F617 VanDerWaalsContact CG1-CE2 3.43Å; V615-F617 HydrophobicContact CG1-CZ 3.42Å; V615-F617 VanDerWaalsContact CG1-CZ 3.42Å; V615-S630 WeakPolarHBondContact O-CA 3.44Å; V615-S630 VanDerWaalsContact O-CB 3.26Å; V615-S630 WeakPolarHBondContact O-CB 3.45Å; V615-F631 PolarHBondContact N-O 2.87Å; V615-F631 PolarHBondContact O-N 2.87Å; V615-F631 VanDerWaalsContact O-N 3.07Å
616S89.5Confident87.6Confident38 Ų3848.1 Ų48.127%0.26627%0.271SS..EExtended strand (participates in β ladder)trans-111.7137.7-173.1-57.50000111.3Q578 C579 F629 S630Q578-S616 PolarHBondContact N-O 2.86Å; C579-S616 PolarHBondContact SG-N 2.92Å; C579-S616 PolarHBondContact SG-O 2.83Å; S616-F629 WeakPolarHBondContact CA-O 3.48Å; S616-S630 WeakPolarHBondContact OG-CB 3.42Å
617F91Very high87.5Confident0 Ų049.2 Ų49.20%028%0.278CS..EExtended strand (participates in β ladder)trans-128.7141.8179.1-61.8-80.6000110L575 S576 E577 V585 L588 L604 I606 V615 N628 F629 F631L575-F617 HydrophobicContact CD2-CB 4.06Å; L575-F617 HydrophobicContact CD2-CD1 3.56Å; L575-F617 HydrophobicContact CD2-CE1 4.16Å; L575-F617 HydrophobicContact CD2-CG 3.85Å; L575-F617 HydrophobicContact CG-CB 4.22Å; L575-F617 HydrophobicContact CG-CD1 4.33Å; S576-F617 CarbonylContact O-C 3.52Å; S576-F617 VanDerWaalsContact O-CA 3.3Å; S576-F617 WeakPolarHBondContact O-CA 3.39Å; E577-F617 HydrophobicContact CB-CD1 4.37Å; E577-F617 HydrophobicContact CB-CE1 4.31Å; V585-F617 HydrophobicContact CG1-CE1 4.08Å; V585-F617 HydrophobicContact CG1-CZ 4.25Å; V585-F617 HydrophobicContact CG2-CE1 4.07Å; V585-F617 HydrophobicContact CG2-CZ 4.08Å; L588-F617 HydrophobicContact CD2-CD1 4.22Å; L588-F617 HydrophobicContact CD2-CE1 4Å; L604-F617 HydrophobicContact CD1-CZ 4.32Å; I606-F617 HydrophobicContact CD1-CE2 4.41Å; I606-F617 HydrophobicContact CD1-CZ 4.07Å; V615-F617 HydrophobicContact CB-CE2 4.27Å; V615-F617 HydrophobicContact CG1-CD2 4.35Å; V615-F617 HydrophobicContact CG1-CE1 4.32Å; V615-F617 HydrophobicContact CG1-CE2 3.43Å; V615-F617 VanDerWaalsContact CG1-CE2 3.43Å; V615-F617 HydrophobicContact CG1-CZ 3.42Å; V615-F617 VanDerWaalsContact CG1-CZ 3.42Å; F617-N628 CarbonylContact O-C 3.56Å; F617-N628 VanDerWaalsContact O-CA 3.28Å; F617-N628 WeakPolarHBondContact O-CA 3.5Å; F617-F629 HydrophobicContact CB-CD2 4.35Å; F617-F629 HydrophobicContact CB-CE1 4.13Å; F617-F629 HydrophobicContact CB-CE2 3.85Å; F617-F629 HydrophobicContact CB-CZ 3.76Å; F617-F629 HydrophobicContact CD2-CD2 4.31Å; F617-F629 AromaticContact CD2-CE2 3.67Å; F617-F629 HydrophobicContact CD2-CE2 3.67Å; F617-F629 HydrophobicContact CD2-CZ 4.25Å; F617-F629 HydrophobicContact CG-CE2 4.11Å; F617-F629 HydrophobicContact CG-CZ 4.25Å; F617-F629 PolarHBondContact N-O 2.97Å; F617-F629 PolarHBondContact O-N 2.89Å; F617-F631 AromaticContact CD2-CE1 3.99Å; F617-F631 HydrophobicContact CD2-CE1 3.99Å; F617-F631 HydrophobicContact CE2-CD1 4.42Å; F617-F631 AromaticContact CE2-CE1 3.54Å; F617-F631 HydrophobicContact CE2-CE1 3.54Å; F617-F631 AromaticContact CE2-CZ 3.93Å; F617-F631 HydrophobicContact CE2-CZ 3.93Å
618A90.5Very high87.6Confident3 Ų350.3 Ų50.33%0.02529%0.29CS..EExtended strand (participates in β ladder)trans-104115.1167.600000109S576 Q578 P626 N628S576-A618 PolarHBondContact N-O 3.06Å; S576-A618 PolarHBondContact O-N 3.36Å; S576-A618 WeakPolarHBondContact OG-CB 3.36Å; S576-A618 PolarHBondContact OG-O 3.38Å; Q578-A618 HydrophobicContact CG-CB 4.14Å; A618-P626 HydrophobicContact CB-CB 4.48Å; A618-N628 WeakPolarHBondContact CA-OD1 3.39Å; A618-N628 WeakPolarHBondContact CB-OD1 3.39Å
619M92Very high87.8Confident0 Ų050.9 Ų50.90%029%0.293CS..EExtended strand (participates in β ladder)trans-101.1120.7178179.8-178.576.300110.1V530 V540 F562 V573 H574 L575 V621 P626 T627 F629V530-M619 HydrophobicContact CG1-CE 4.22Å; V540-M619 HydrophobicContact CG2-CE 4.38Å; V540-M619 HydrophobicContact CG2-SD 3.79Å; F562-M619 HydrophobicContact CD1-SD 4.37Å; F562-M619 HydrophobicContact CE1-SD 4.11Å; V573-M619 HydrophobicContact CG1-CG 3.68Å; V573-M619 HydrophobicContact CG1-SD 3.79Å; H574-M619 CarbonylContact O-C 3.44Å; H574-M619 WeakPolarHBondContact O-CA 3.36Å; L575-M619 HydrophobicContact CD1-CB 3.85Å; L575-M619 HydrophobicContact CD1-CG 4.02Å; M619-V621 HydrophobicContact CE-CG2 3.86Å; M619-V621 HydrophobicContact CG-CG2 4.27Å; M619-V621 HydrophobicContact SD-CG2 4.37Å; M619-P626 CarbonylContact O-C 3.44Å; M619-P626 WeakPolarHBondContact O-CA 3.49Å; M619-T627 WeakPolarHBondContact CE-OG1 3.31Å; M619-T627 PolarHBondContact N-O 3.02Å; M619-T627 PolarHBondContact O-N 3.48Å; M619-T627 PolarHBondContact O-OG1 2.85Å; M619-F629 HydrophobicContact CB-CD1 4.35Å; M619-F629 HydrophobicContact CB-CE1 3.87Å; M619-F629 HydrophobicContact SD-CE1 4.44Å
620K90.3Very high88.2Confident79 Ų7952 Ų5234%0.34329%0.293SS..EExtended strand (participates in β ladder)trans-103.5127.4171.4-162.9-168.6178-152.10108.9V573 H574 D622 D623 Q624 P626V573-K620 WeakPolarHBondContact CA-O 3.36Å; H574-K620 HydrophobicContact CB-CB 4.45Å; H574-K620 PolarHBondContact N-O 3.19Å; H574-K620 PolarHBondContact O-N 2.85Å; K620-D622 WeakPolarHBondContact CE-O 3.44Å; K620-D622 PolarHBondContact NZ-O 2.96Å; K620-D623 IonicContact NZ-OD1 3.36Å; K620-D623 PolarHBondContact NZ-OD1 2.66Å; K620-Q624 WeakPolarHBondContact CE-O 3.18Å; K620-Q624 WeakPolarHBondContact CG-O 3.49Å; K620-P626 HydrophobicContact CB-CB 4.46Å
621V90.9Very high88.7Confident1 Ų151.6 Ų51.61%0.00629%0.29CS..EExtended strand (participates in β ladder)trans-108.5114.2175.9-178.90000107.3H536 V538 I570 M619 D623 Q624H536-V621 HydrophobicContact CB-CB 4.4Å; V538-V621 HydrophobicContact CG2-CG1 4.11Å; V538-V621 HydrophobicContact CG2-CG2 4.01Å; I570-V621 HydrophobicContact CD1-CG1 4.19Å; I570-V621 HydrophobicContact CG1-CG1 4.5Å; I570-V621 HydrophobicContact CG2-CG1 3.63Å; M619-V621 HydrophobicContact CE-CG2 3.86Å; M619-V621 HydrophobicContact CG-CG2 4.27Å; M619-V621 HydrophobicContact SD-CG2 4.37Å; V621-D623 PolarHBondContact O-N 2.82Å; V621-Q624 VanDerWaalsContact O-CB 3.3Å; V621-Q624 WeakPolarHBondContact O-CB 3.43Å; V621-Q624 WeakPolarHBondContact O-CG 2.83Å; V621-Q624 PolarHBondContact O-N 2.83Å
622D90.2Very high89Confident50 Ų5052.6 Ų52.627%0.26730%0.3SS..THydrogen-bonded Turntrans47.4-122-172.6-54.5-34.7000110.9E571 L572 K620E571-D622 WeakPolarHBondContact CA-OD1 3.48Å; E571-D622 PolarHBondContact N-OD1 2.9Å; L572-D622 PolarHBondContact N-OD1 3.45Å; L572-D622 PolarHBondContact O-N 3.36Å; K620-D622 WeakPolarHBondContact CE-O 3.44Å; K620-D622 PolarHBondContact NZ-O 2.96Å
623D86.4Confident89.3Confident151 Ų15149.4 Ų49.481%0.80728%0.281SS*.THydrogen-bonded Turntrans-99.715.2177.7-70.9-40.8000114.5K620 V621K620-D623 IonicContact NZ-OD1 3.36Å; K620-D623 PolarHBondContact NZ-OD1 2.66Å; V621-D623 PolarHBondContact O-N 2.82Å
624Q88.2Confident89.6Confident85 Ų8547.4 Ų47.440%0.39728%0.276SS..SBendtrans-78.5163.3177.7-54.4-160.535.500112.2H536 K620 V621H536-Q624 PolarHBondContact CD2-OE1 3.22Å; K620-Q624 WeakPolarHBondContact CE-O 3.18Å; K620-Q624 WeakPolarHBondContact CG-O 3.49Å; V621-Q624 VanDerWaalsContact O-CB 3.3Å; V621-Q624 WeakPolarHBondContact O-CB 3.43Å; V621-Q624 WeakPolarHBondContact O-CG 2.83Å; V621-Q624 PolarHBondContact O-N 2.83Å
625V88.1Confident89.8Confident113 Ų11344.3 Ų44.369%0.68526%0.256SS*.PPolyproline II helixtrans-61.4134.2178.3-178.80000109.2H536 T627H536-V625 PolarHBondContact CE1-O 3.21Å; H536-V625 VanDerWaalsContact CE1-O 3.26Å; V625-T627 PolarHBondContact O-N 3.15Å
626P87.4Confident90Very high73 Ų7344.3 Ų44.347%0.47426%0.256SS..PPolyproline II helixtrans-62.4134.8179.524.4-33.6000111.4A618 M619 K620A618-P626 HydrophobicContact CB-CB 4.48Å; M619-P626 CarbonylContact O-C 3.44Å; M619-P626 WeakPolarHBondContact O-CA 3.49Å; K620-P626 HydrophobicContact CB-CB 4.46Å
627T88.9Confident90.2Very high24 Ų2443.2 Ų43.215%0.14725%0.247CC..EExtended strand (participates in β ladder)trans-104.5121.6-179.557.50000109A534 H536 M619 V625A534-T627 WeakPolarHBondContact O-CB 3.46Å; A534-T627 WeakPolarHBondContact O-CG2 3.44Å; H536-T627 WeakPolarHBondContact CE1-CG2 3.32Å; H536-T627 WeakPolarHBondContact ND1-CG2 3.3Å; M619-T627 WeakPolarHBondContact CE-OG1 3.31Å; M619-T627 PolarHBondContact N-O 3.02Å; M619-T627 PolarHBondContact O-N 3.48Å; M619-T627 PolarHBondContact O-OG1 2.85Å; V625-T627 PolarHBondContact O-N 3.15Å
628N90.7Very high90.3Very high106 Ų10643.4 Ų43.457%0.56725%0.248SC*.EExtended strand (participates in β ladder)trans-89.2133.3179.9-66.6-6.5000110.3Q578 F617 A618Q578-N628 PolarHBondContact OE1-ND2 3.15Å; F617-N628 CarbonylContact O-C 3.56Å; F617-N628 VanDerWaalsContact O-CA 3.28Å; F617-N628 WeakPolarHBondContact O-CA 3.5Å; A618-N628 WeakPolarHBondContact CA-OD1 3.39Å; A618-N628 WeakPolarHBondContact CB-OD1 3.39Å
629F91.3Very high90.4Very high16 Ų1643.3 Ų43.37%0.0725%0.246CC..EExtended strand (participates in β ladder)trans-137.4156.5170.666.4-99.3000110.2I529 V530 L575 S616 F617 M619 F631I529-F629 HydrophobicContact CD1-CD2 3.64Å; I529-F629 HydrophobicContact CD1-CE2 3.39Å; I529-F629 HydrophobicContact CD1-CZ 4.09Å; V530-F629 HydrophobicContact CG2-CB 3.56Å; V530-F629 HydrophobicContact CG2-CD1 3.32Å; V530-F629 HydrophobicContact CG2-CD2 4.23Å; V530-F629 HydrophobicContact CG2-CE1 3.95Å; V530-F629 HydrophobicContact CG2-CG 3.45Å; V530-F629 VanDerWaalsContact CG2-CG 3.45Å; L575-F629 HydrophobicContact CD1-CE1 3.97Å; L575-F629 HydrophobicContact CD1-CZ 3.91Å; L575-F629 HydrophobicContact CD2-CZ 4.41Å; S616-F629 WeakPolarHBondContact CA-O 3.48Å; F617-F629 HydrophobicContact CB-CD2 4.35Å; F617-F629 HydrophobicContact CB-CE1 4.13Å; F617-F629 HydrophobicContact CB-CE2 3.85Å; F617-F629 HydrophobicContact CB-CZ 3.76Å; F617-F629 HydrophobicContact CD2-CD2 4.31Å; F617-F629 AromaticContact CD2-CE2 3.67Å; F617-F629 HydrophobicContact CD2-CE2 3.67Å; F617-F629 HydrophobicContact CD2-CZ 4.25Å; F617-F629 HydrophobicContact CG-CE2 4.11Å; F617-F629 HydrophobicContact CG-CZ 4.25Å; F617-F629 PolarHBondContact N-O 2.97Å; F617-F629 PolarHBondContact O-N 2.89Å; M619-F629 HydrophobicContact CB-CD1 4.35Å; M619-F629 HydrophobicContact CB-CE1 3.87Å; M619-F629 HydrophobicContact SD-CE1 4.44Å; F629-F631 HydrophobicContact CD2-CD1 4.49Å; F629-F631 HydrophobicContact CE2-CD1 4.38Å; F629-F631 HydrophobicContact CE2-CE1 4.32Å
630S90.3Very high90.4Very high65 Ų6544.3 Ų44.346%0.45525%0.25SS..EExtended strand (participates in β ladder)trans-142.3153.1177.9640000111.9V615 S616V615-S630 WeakPolarHBondContact O-CA 3.44Å; V615-S630 VanDerWaalsContact O-CB 3.26Å; V615-S630 WeakPolarHBondContact O-CB 3.45Å; S616-S630 WeakPolarHBondContact OG-CB 3.42Å
631F90.6Very high90.5Very high20 Ų2040.7 Ų40.79%0.08824%0.235CC..EExtended strand (participates in β ladder)trans-148.1151.9171.763.8-90.6000110.1I529 F544 V558 L560 I606 P614 V615 F617 F629I529-F631 HydrophobicContact CD1-CD1 4.06Å; I529-F631 HydrophobicContact CD1-CE1 4.32Å; I529-F631 HydrophobicContact CG2-CB 4.34Å; F544-F631 HydrophobicContact CZ-CD2 4.19Å; F544-F631 HydrophobicContact CZ-CE2 4.19Å; V558-F631 HydrophobicContact CG1-CE2 4.01Å; V558-F631 HydrophobicContact CG1-CZ 3.91Å; V558-F631 HydrophobicContact CG2-CE2 4.47Å; L560-F631 HydrophobicContact CD2-CE1 4.23Å; L560-F631 HydrophobicContact CD2-CZ 4.44Å; I606-F631 HydrophobicContact CD1-CE2 3.95Å; I606-F631 HydrophobicContact CD1-CZ 3.6Å; P614-F631 WeakPolarHBondContact CA-O 3.48Å; V615-F631 PolarHBondContact N-O 2.87Å; V615-F631 PolarHBondContact O-N 2.87Å; V615-F631 VanDerWaalsContact O-N 3.07Å; F617-F631 AromaticContact CD2-CE1 3.99Å; F617-F631 HydrophobicContact CD2-CE1 3.99Å; F617-F631 HydrophobicContact CE2-CD1 4.42Å; F617-F631 AromaticContact CE2-CE1 3.54Å; F617-F631 HydrophobicContact CE2-CE1 3.54Å; F617-F631 AromaticContact CE2-CZ 3.93Å; F617-F631 HydrophobicContact CE2-CZ 3.93Å; F629-F631 HydrophobicContact CD2-CD1 4.49Å; F629-F631 HydrophobicContact CE2-CD1 4.38Å; F629-F631 HydrophobicContact CE2-CE1 4.32Å
632A89.5Confident90.6Very high45 Ų4540.6 Ų40.637%0.37224%0.235SC..  trans-107.8147.2174.800000110P614 P634P614-A632 HydrophobicContact CB-CB 4.19Å; A632-P634 WeakPolarHBondContact O-CD 3.21Å
633A89.5Confident90.5Very high4 Ų443.6 Ų43.63%0.03325%0.247CC..  trans-75.8121.5167.800000110F544 F608 Q638F544-A633 HydrophobicContact CE1-CB 3.69Å; F544-A633 HydrophobicContact CZ-CB 3.87Å; F608-A633 HydrophobicContact CD1-CB 4.02Å; F608-A633 HydrophobicContact CD2-CB 3.74Å; F608-A633 HydrophobicContact CE1-CB 3.69Å; F608-A633 HydrophobicContact CE2-CB 3.42Å; F608-A633 VanDerWaalsContact CE2-CB 3.42Å; F608-A633 HydrophobicContact CG-CB 4.04Å; F608-A633 HydrophobicContact CZ-CB 3.41Å; F608-A633 VanDerWaalsContact CZ-CB 3.41Å; A633-Q638 HydrophobicContact CB-CG 3.85Å; A633-Q638 PolarHBondContact O-NE2 2.96Å
634P90.7Very high90.7Very high54 Ų5437 Ų3735%0.35121%0.211SC..  trans-53.4144.6166-21.132.5000109.8A632 G636 E637 Q638A632-P634 WeakPolarHBondContact O-CD 3.21Å; P634-G636 PolarHBondContact O-N 3.42Å; P634-E637 HydrophobicContact CB-CG 4.24Å; P634-E637 HydrophobicContact CG-CG 4.16Å; P634-E637 WeakPolarHBondContact O-CB 3.46Å; P634-E637 PolarHBondContact O-N 3.01Å; P634-Q638 PolarHBondContact O-N 2.89Å
635V91.6Very high90.8Very high4 Ų435.3 Ų35.32%0.02421%0.209CC..G310 helixtrans-58.6-36-176.3176.90000111.5T612 E637 Q638 I734 M737 L738T612-V635 HydrophobicContact CG2-CG2 3.88Å; V635-E637 PolarHBondContact O-N 3.38Å; V635-Q638 PolarHBondContact O-N 3.27Å; V635-Q638 VanDerWaalsContact O-N 3.1Å; V635-I734 HydrophobicContact CG1-CB 3.96Å; V635-I734 HydrophobicContact CG1-CG1 4.06Å; V635-I734 HydrophobicContact CG1-CG2 3.57Å; V635-M737 HydrophobicContact CB-CB 4.43Å; V635-M737 HydrophobicContact CG2-CB 3.71Å; V635-M737 HydrophobicContact CG2-CG 4.43Å; V635-L738 HydrophobicContact CG1-CB 4.05Å
636G92.9Very high90.9Very high0 Ų032.3 Ų32.30%019%0.191CC..G310 helixtrans-64.1-21.2174.700000115.2P634 M683 N685P634-G636 PolarHBondContact O-N 3.42Å; G636-M683 WeakPolarHBondContact CA-O 3.47Å; G636-N685 PolarHBondContact O-N 2.93Å
637E92.6Very high90.9Very high14 Ų1436.6 Ų36.67%0.06521%0.205CC..G310 helixtrans-85.7-15.3174.4-63.1-59.4151.200112.9H523 F544 R546 P634 V635 L639H523-E637 IonicContact CE1-OE1 2.72Å; H523-E637 PolarHBondContact CE1-OE1 3.48Å; H523-E637 IonicContact ND1-OE1 3.16Å; F544-E637 HydrophobicContact CB-CB 4.31Å; F544-E637 HydrophobicContact CB-CG 3.9Å; F544-E637 VanDerWaalsContact CB-OE2 3.3Å; F544-E637 WeakPolarHBondContact CB-OE2 3.26Å; F544-E637 HydrophobicContact CD1-CB 3.89Å; F544-E637 HydrophobicContact CD1-CG 4.17Å; F544-E637 HydrophobicContact CD2-CG 3.98Å; F544-E637 HydrophobicContact CE1-CB 4.4Å; F544-E637 HydrophobicContact CG-CB 3.98Å; F544-E637 HydrophobicContact CG-CG 3.73Å; R546-E637 WeakPolarHBondContact CG-OE2 3.45Å; R546-E637 IonicContact CZ-OE1 3.49Å; R546-E637 VanDerWaalsContact CZ-OE1 3.3Å; R546-E637 IonicContact CZ-OE2 2.84Å; R546-E637 IonicContact NE-OE1 3.51Å; R546-E637 PolarHBondContact NE-OE1 3.49Å; R546-E637 IonicContact NE-OE2 3.91Å; R546-E637 PolarHBondContact NE-OE2 2.89Å; R546-E637 IonicContact NH2-OE1 2.67Å; R546-E637 PolarHBondContact NH2-OE1 3.01Å; R546-E637 IonicContact NH2-OE2 3.66Å; P634-E637 HydrophobicContact CB-CG 4.24Å; P634-E637 HydrophobicContact CG-CG 4.16Å; P634-E637 WeakPolarHBondContact O-CB 3.46Å; P634-E637 PolarHBondContact O-N 3.01Å; V635-E637 PolarHBondContact O-N 3.38Å; E637-L639 PolarHBondContact O-N 2.83Å
638Q92.9Very high90.9Very high5 Ų539.3 Ų39.32%0.02322%0.216CC..G310 helixtrans-8616.7174.8-56.9-168.545.500112.7F608 S611 A633 P634 V635 L703F608-Q638 VanDerWaalsContact CB-OE1 3.32Å; S611-Q638 PolarHBondContact O-NE2 3.38Å; A633-Q638 HydrophobicContact CB-CG 3.85Å; A633-Q638 PolarHBondContact O-NE2 2.96Å; P634-Q638 PolarHBondContact O-N 2.89Å; V635-Q638 PolarHBondContact O-N 3.27Å; V635-Q638 VanDerWaalsContact O-N 3.1Å; Q638-L703 WeakPolarHBondContact O-CG 3.41Å; Q638-L703 PolarHBondContact O-N 2.65Å
639L94.1Very high91Very high0 Ų034.3 Ų34.30%019%0.189CC..EExtended strand (participates in β ladder)trans-111.4153.5-179.3-58.6178.4000111.2E637 A684 N685 V686 A700 Q701 L709 I734 L738E637-L639 PolarHBondContact O-N 2.83Å; L639-A684 HydrophobicContact CD1-CB 4.36Å; L639-N685 WeakPolarHBondContact O-CB 3.12Å; L639-N685 PolarHBondContact O-ND2 3.29Å; L639-V686 HydrophobicContact CD1-CG1 4.03Å; L639-A700 HydrophobicContact CB-CB 4.15Å; L639-Q701 WeakPolarHBondContact CA-O 3.31Å; L639-L709 HydrophobicContact CD1-CD1 4.17Å; L639-L709 HydrophobicContact CD1-CD2 4.14Å; L639-L709 HydrophobicContact CD2-CD1 3.87Å; L639-I734 HydrophobicContact CD2-CG2 4.14Å; L639-L738 HydrophobicContact CD1-CD2 3.82Å
640R91.5Very high91Very high21 Ų2136.4 Ų36.48%0.07920%0.201CC..EExtended strand (participates in β ladder)trans-126.1126175.2179.2176.8-75.4-166.7-9.9110.2V516 D553 A700 Q701 L703V516-R640 HydrophobicContact CG1-CG 3.73Å; V516-R640 HydrophobicContact CG2-CG 4.38Å; D553-R640 PolarHBondContact O-NH2 3.29Å; D553-R640 IonicContact OD1-CZ 3.57Å; D553-R640 IonicContact OD1-NH1 3.27Å; D553-R640 PolarHBondContact OD1-NH1 2.9Å; D553-R640 IonicContact OD1-NH2 2.91Å; D553-R640 PolarHBondContact OD1-NH2 3.44Å; D553-R640 IonicContact OD2-CZ 3.51Å; D553-R640 IonicContact OD2-NH1 3.39Å; D553-R640 PolarHBondContact OD2-NH1 2.91Å; D553-R640 IonicContact OD2-NH2 2.69Å; R640-A700 CarbonylContact O-C 3.58Å; R640-A700 WeakPolarHBondContact O-CA 3.38Å; R640-A700 VanDerWaalsContact O-CB 3.27Å; R640-A700 WeakPolarHBondContact O-CB 3.32Å; R640-Q701 HydrophobicContact CB-CG 4.13Å; R640-Q701 PolarHBondContact N-O 3.48Å; R640-Q701 PolarHBondContact O-N 2.78Å; R640-L703 HydrophobicContact CB-CD2 3.82Å
641P93.2Very high91Very high3 Ų336 Ų362%0.01920%0.202CC..EExtended strand (participates in β ladder)trans-61.4138.2176.5-16.226.4000111.3V517 N685 H687V517-P641 HydrophobicContact CB-CB 4.36Å; V517-P641 PolarHBondContact N-O 2.85Å; P641-N685 WeakPolarHBondContact CD-ND2 3.45Å; P641-N685 WeakPolarHBondContact CD-O 3.28Å; P641-N685 WeakPolarHBondContact CG-OD1 3.39Å; P641-H687 HydrophobicContact CB-CB 3.87Å
642I92.3Very high91Very high0 Ų035.3 Ų35.30%020%0.199CC..BIsolated β-bridgetrans-126.6158.5173.762.2175.1000109.2F514 P515 L644 H687 C699 A700 Q701F514-I642 HydrophobicContact CB-CB 3.89Å; F514-I642 HydrophobicContact CB-CD1 3.87Å; F514-I642 HydrophobicContact CB-CG1 4.44Å; F514-I642 HydrophobicContact CB-CG2 3.89Å; F514-I642 HydrophobicContact CD1-CD1 4.22Å; F514-I642 HydrophobicContact CD2-CD1 3.93Å; F514-I642 HydrophobicContact CE2-CD1 4.49Å; F514-I642 HydrophobicContact CG-CD1 3.75Å; P515-I642 CarbonylContact O-C 3.56Å; P515-I642 VanDerWaalsContact O-CA 3.3Å; P515-I642 WeakPolarHBondContact O-CA 3.3Å; I642-L644 HydrophobicContact CD1-CD1 4.01Å; I642-L644 HydrophobicContact CD1-CD2 4.32Å; I642-L644 HydrophobicContact CD1-CG 4.02Å; I642-L644 HydrophobicContact CG1-CG 4.26Å; I642-H687 VanDerWaalsContact O-CB 3.27Å; I642-H687 WeakPolarHBondContact O-CB 3.22Å; I642-C699 HydrophobicContact CG1-CB 4.22Å; I642-C699 PolarHBondContact O-SG 3.37Å; I642-A700 WeakPolarHBondContact CD1-O 3.15Å; I642-Q701 HydrophobicContact CG2-CB 4.01Å; I642-Q701 VanDerWaalsContact CG2-CD 3.49Å; I642-Q701 HydrophobicContact CG2-CG 3.6Å
643E89Confident91Very high113 Ų11334.5 Ų34.553%0.52819%0.187SC..  trans-95.8130.8172.2-174.3169.7-160.500109.4P515 V517P515-E643 HydrophobicContact CG-CB 4.04Å; P515-E643 PolarHBondContact O-N 2.84Å; V517-E643 HydrophobicContact CG2-CB 3.54Å
644L90.5Very high91.1Very high11 Ų1138.7 Ų38.76%0.05821%0.212CC..  trans-137.9143.8175.5-69.8179.9000109.2F514 I642 E648 L652 L689 C699 L710F514-L644 HydrophobicContact CD1-CD2 3.48Å; F514-L644 VanDerWaalsContact CD1-CD2 3.48Å; F514-L644 HydrophobicContact CE1-CD2 3.6Å; F514-L644 HydrophobicContact CG-CD2 4.47Å; I642-L644 HydrophobicContact CD1-CD1 4.01Å; I642-L644 HydrophobicContact CD1-CD2 4.32Å; I642-L644 HydrophobicContact CD1-CG 4.02Å; I642-L644 HydrophobicContact CG1-CG 4.26Å; L644-E648 HydrophobicContact CD2-CB 4.29Å; L644-L652 HydrophobicContact CD1-CD1 3.9Å; L644-L652 HydrophobicContact CD2-CD1 4.29Å; L644-L689 HydrophobicContact CB-CD1 4.36Å; L644-L689 WeakPolarHBondContact O-CD2 3.42Å; L644-C699 HydrophobicContact CD1-CB 3.7Å; L644-C699 HydrophobicContact CG-CB 4.28Å; L644-L710 HydrophobicContact CD1-CD2 3.79Å
645S89.9Confident91Very high51 Ų5141.7 Ų41.736%0.35722%0.222SC..  trans-70.8159163.365.50000110.9E647 E648 F649S645-E647 PolarHBondContact O-N 2.94Å; S645-E648 WeakPolarHBondContact CB-OE2 3.17Å; S645-E648 PolarHBondContact N-OE2 3.37Å; S645-E648 PolarHBondContact O-N 2.94Å; S645-E648 WeakPolarHBondContact OG-CB 3.37Å; S645-E648 VanDerWaalsContact OG-CD 3.22Å; S645-E648 WeakPolarHBondContact OG-CG 3.12Å; S645-E648 PolarHBondContact OG-N 3.2Å; S645-E648 VanDerWaalsContact OG-N 3.13Å; S645-E648 PolarHBondContact OG-OE2 3.24Å; S645-F649 WeakPolarHBondContact O-CB 3.44Å; S645-F649 PolarHBondContact O-N 2.92Å
646V88.7Confident90.9Very high49 Ų4941.7 Ų41.730%0.29722%0.221SC..Hα-helixtrans-62.1-33.1175.5178.30000111.1N650V646-N650 WeakPolarHBondContact O-CB 3.29Å; V646-N650 PolarHBondContact O-N 3.49Å; V646-N650 PolarHBondContact O-ND2 3.17Å
647E88.4Confident90.6Very high163 Ų16348.6 Ų48.676%0.76225%0.248SC*.Hα-helixtrans-66.4-48.1176.5-63.3179.7-176.400111.5S645 F649 N650 A651S645-E647 PolarHBondContact O-N 2.94Å; E647-F649 VanDerWaalsContact C-N 3.35Å; E647-F649 PolarHBondContact O-N 3.33Å; E647-N650 PolarHBondContact O-N 3.28Å; E647-A651 WeakPolarHBondContact O-CB 2.75Å; E647-A651 PolarHBondContact O-N 3.49Å
648E89.7Confident90.3Very high82 Ų8250.7 Ų50.738%0.38327%0.272SS..Hα-helixtrans-63.2-40.6175.7-71.9164.714100112.1L644 S645 N650 A651 L652L644-E648 HydrophobicContact CD2-CB 4.29Å; S645-E648 WeakPolarHBondContact CB-OE2 3.17Å; S645-E648 PolarHBondContact N-OE2 3.37Å; S645-E648 PolarHBondContact O-N 2.94Å; S645-E648 WeakPolarHBondContact OG-CB 3.37Å; S645-E648 VanDerWaalsContact OG-CD 3.22Å; S645-E648 WeakPolarHBondContact OG-CG 3.12Å; S645-E648 PolarHBondContact OG-N 3.2Å; S645-E648 VanDerWaalsContact OG-N 3.13Å; S645-E648 PolarHBondContact OG-OE2 3.24Å; E648-N650 VanDerWaalsContact C-N 3.35Å; E648-N650 PolarHBondContact O-N 3.18Å; E648-A651 PolarHBondContact O-N 3.29Å; E648-L652 WeakPolarHBondContact O-CB 3.3Å; E648-L652 WeakPolarHBondContact O-CG 3.08Å; E648-L652 PolarHBondContact O-N 3.05Å
649F92.8Very high89.9Confident0 Ų057.8 Ų57.80%031%0.31CS..Hα-helixtrans-57.1-49.6174.9-178.7-78.9000110.8S645 E647 L652 Q653 L689 R697 F698 C699 L710S645-F649 WeakPolarHBondContact O-CB 3.44Å; S645-F649 PolarHBondContact O-N 2.92Å; E647-F649 VanDerWaalsContact C-N 3.35Å; E647-F649 PolarHBondContact O-N 3.33Å; F649-L652 PolarHBondContact O-N 3.44Å; F649-Q653 VanDerWaalsContact O-CB 3.31Å; F649-Q653 WeakPolarHBondContact O-CB 3.16Å; F649-Q653 PolarHBondContact O-N 3.24Å; F649-L689 HydrophobicContact CB-CD1 3.98Å; F649-L689 HydrophobicContact CD2-CD1 3.63Å; F649-L689 HydrophobicContact CE2-CD1 4.47Å; F649-L689 HydrophobicContact CG-CD1 4.05Å; F649-R697 HydrophobicContact CD1-CG 4.17Å; F649-R697 HydrophobicContact CD2-CB 4.35Å; F649-R697 HydrophobicContact CE1-CB 4.3Å; F649-R697 HydrophobicContact CE1-CG 3.79Å; F649-R697 HydrophobicContact CE2-CB 3.98Å; F649-R697 HydrophobicContact CE2-CG 4.37Å; F649-R697 HydrophobicContact CZ-CB 3.96Å; F649-R697 HydrophobicContact CZ-CG 3.9Å; F649-F698 WeakPolarHBondContact CE2-O 3.37Å; F649-C699 HydrophobicContact CD2-CB 4.37Å; F649-L710 HydrophobicContact CD2-CB 4.39Å; F649-L710 HydrophobicContact CD2-CD1 4.44Å; F649-L710 HydrophobicContact CD2-CD2 3.73Å; F649-L710 HydrophobicContact CD2-CG 4.41Å; F649-L710 HydrophobicContact CE2-CB 3.64Å; F649-L710 HydrophobicContact CE2-CD1 4.38Å; F649-L710 HydrophobicContact CE2-CD2 3.8Å; F649-L710 HydrophobicContact CE2-CG 4.14Å; F649-L710 HydrophobicContact CZ-CB 3.8Å
650N91.2Very high89.8Confident60 Ų6059.8 Ų59.832%0.32132%0.321SS..Hα-helixtrans-66.9-39.1-179.1-67.3-30.8000111.4V646 E647 E648 Q653 V654V646-N650 WeakPolarHBondContact O-CB 3.29Å; V646-N650 PolarHBondContact O-N 3.49Å; V646-N650 PolarHBondContact O-ND2 3.17Å; E647-N650 PolarHBondContact O-N 3.28Å; E648-N650 VanDerWaalsContact C-N 3.35Å; E648-N650 PolarHBondContact O-N 3.18Å; N650-Q653 PolarHBondContact O-N 2.95Å; N650-V654 WeakPolarHBondContact O-CG2 3.46Å; N650-V654 PolarHBondContact O-N 3.42Å
651A90.5Very high89.8Confident58 Ų5861.6 Ų61.648%0.47933%0.33SS..Hα-helixtrans-61.8-48.4175.900000111.6E647 E648 Q653 V654 E655E647-A651 WeakPolarHBondContact O-CB 2.75Å; E647-A651 PolarHBondContact O-N 3.49Å; E648-A651 PolarHBondContact O-N 3.29Å; A651-Q653 VanDerWaalsContact C-N 3.32Å; A651-Q653 PolarHBondContact O-N 3.44Å; A651-V654 PolarHBondContact O-N 3.37Å; A651-E655 PolarHBondContact O-N 2.89Å
652L90.5Very high89.8Confident4 Ų463.2 Ų63.22%0.02134%0.338CS..Hα-helixtrans-62.9-37.8175.1-80169.4000112F514 L644 E648 F649 V654 E655 L656 P708 L710F514-L652 HydrophobicContact CE1-CD1 4.04Å; F514-L652 HydrophobicContact CZ-CD1 3.95Å; L644-L652 HydrophobicContact CD1-CD1 3.9Å; L644-L652 HydrophobicContact CD2-CD1 4.29Å; E648-L652 WeakPolarHBondContact O-CB 3.3Å; E648-L652 WeakPolarHBondContact O-CG 3.08Å; E648-L652 PolarHBondContact O-N 3.05Å; F649-L652 PolarHBondContact O-N 3.44Å; L652-V654 VanDerWaalsContact C-N 3.26Å; L652-V654 PolarHBondContact O-N 2.85Å; L652-E655 WeakPolarHBondContact O-CB 3.31Å; L652-E655 PolarHBondContact O-N 3.23Å; L652-L656 VanDerWaalsContact O-CB 3.32Å; L652-L656 WeakPolarHBondContact O-CB 3.47Å; L652-L656 VanDerWaalsContact O-CG 3.3Å; L652-L656 WeakPolarHBondContact O-CG 3.27Å; L652-L656 PolarHBondContact O-N 3.3Å; L652-P708 HydrophobicContact CD1-CB 4.35Å; L652-P708 HydrophobicContact CD2-CG 4.23Å; L652-L710 HydrophobicContact CB-CD1 3.72Å
653Q89.8Confident89.9Confident29 Ų2967.8 Ų67.814%0.13636%0.36CS..Hα-helixtrans-66-29.7177.1-173.9168.850.600112.4F649 N650 A651 R657 L710 S712 N728F649-Q653 VanDerWaalsContact O-CB 3.31Å; F649-Q653 WeakPolarHBondContact O-CB 3.16Å; F649-Q653 PolarHBondContact O-N 3.24Å; N650-Q653 PolarHBondContact O-N 2.95Å; A651-Q653 VanDerWaalsContact C-N 3.32Å; A651-Q653 PolarHBondContact O-N 3.44Å; Q653-R657 WeakPolarHBondContact O-CG 3.4Å; Q653-L710 HydrophobicContact CB-CD1 3.95Å; Q653-S712 PolarHBondContact NE2-OG 3.03Å; Q653-N728 PolarHBondContact NE2-OD1 2.89Å; Q653-N728 VanDerWaalsContact NE2-OD1 3.16Å
654V90Very high89.9Confident92 Ų9264.4 Ų64.456%0.55835%0.348SS*.Hα-helixtrans-73.3-38.1172.3172.20000111.4N650 A651 L652 R657N650-V654 WeakPolarHBondContact O-CG2 3.46Å; N650-V654 PolarHBondContact O-N 3.42Å; A651-V654 PolarHBondContact O-N 3.37Å; L652-V654 VanDerWaalsContact C-N 3.26Å; L652-V654 PolarHBondContact O-N 2.85Å; V654-R657 WeakPolarHBondContact O-CG 3.39Å
655E88.5Confident89.9Confident117 Ų11767.9 Ų67.955%0.54736%0.364SS..Hα-helixtrans-66.7-42.5176.8-171.1176.317700111.9R512 A651 L652 R657R512-E655 IonicContact CZ-OE2 3.99Å; R512-E655 IonicContact NH2-OE2 2.99Å; R512-E655 PolarHBondContact NH2-OE2 3.22Å; A651-E655 PolarHBondContact O-N 2.89Å; L652-E655 WeakPolarHBondContact O-CB 3.31Å; L652-E655 PolarHBondContact O-N 3.23Å; E655-R657 VanDerWaalsContact C-N 3.29Å; E655-R657 PolarHBondContact O-N 2.79Å
656L89.1Confident89.6Confident3 Ų365.6 Ų65.62%0.01635%0.348CS..THydrogen-bonded Turntrans-90.535.1-175.8-61.1173.7000113.7L652 N660 P708 L710 N728 E730L652-L656 VanDerWaalsContact O-CB 3.32Å; L652-L656 WeakPolarHBondContact O-CB 3.47Å; L652-L656 VanDerWaalsContact O-CG 3.3Å; L652-L656 WeakPolarHBondContact O-CG 3.27Å; L652-L656 PolarHBondContact O-N 3.3Å; L656-N660 HydrophobicContact CB-CB 4.24Å; L656-N660 HydrophobicContact CD2-CB 4.4Å; L656-N660 CarbonylContact O-C 3.59Å; L656-P708 HydrophobicContact CD1-CG 4.24Å; L656-L710 HydrophobicContact CD1-CD1 4.38Å; L656-N728 HydrophobicContact CB-CB 3.92Å; L656-N728 HydrophobicContact CD1-CB 4.38Å; L656-N728 PolarHBondContact O-ND2 2.61Å; L656-E730 HydrophobicContact CD2-CG 3.5Å; L656-E730 VanDerWaalsContact CD2-CG 3.5Å
657R87.3Confident89.1Confident146 Ų14667 Ų6755%0.55136%0.36SS*.  trans-84.7173.8174.8-67.9-168.3177.8-162.1-0.1112.6Q653 V654 E655 L659Q653-R657 WeakPolarHBondContact O-CG 3.4Å; V654-R657 WeakPolarHBondContact O-CG 3.39Å; E655-R657 VanDerWaalsContact C-N 3.29Å; E655-R657 PolarHBondContact O-N 2.79Å; R657-L659 PolarHBondContact O-N 3.35Å
658G87.2Confident88.3Confident57 Ų5763.1 Ų63.159%0.58835%0.349SS*.G310 helixtrans76.1-113.8172.700000111.2N660 E661G658-N660 PolarHBondContact O-N 3.33Å; G658-E661 PolarHBondContact O-N 2.83Å
659L84.9Confident87.3Confident154 Ų15465 Ų6581%0.80635%0.353SS*.G310 helixtrans-68.5-22.9-177.2-70.2171.1000113.4R657 E661R657-L659 PolarHBondContact O-N 3.35Å; L659-E661 VanDerWaalsContact C-N 3.31Å
660N90.1Very high86.2Confident43 Ų4367 Ų6723%0.2336%0.361CS..G310 helixtrans-9310.1-178-63.8-14.7000112.5L656 G658 N728 C729L656-N660 HydrophobicContact CB-CB 4.24Å; L656-N660 HydrophobicContact CD2-CB 4.4Å; L656-N660 CarbonylContact O-C 3.59Å; G658-N660 PolarHBondContact O-N 3.33Å; N660-N728 CarbonylContact O-C 3.49Å; N660-N728 WeakPolarHBondContact O-CA 3.46Å; N660-C729 WeakPolarHBondContact CB-O 3.19Å; N660-C729 PolarHBondContact O-N 3.15Å
661E92.9Very high85Confident59 Ų5975.3 Ų75.328%0.27639%0.388SS..EExtended strand (participates in β ladder)trans-123.3130.3-174.2180173.4-149.100111.1G658 L659 H663 T726 N728G658-E661 PolarHBondContact O-N 2.83Å; L659-E661 VanDerWaalsContact C-N 3.31Å; E661-H663 HydrophobicContact CG-CB 4.49Å; E661-T726 HydrophobicContact CG-CG2 3.83Å; E661-T726 WeakPolarHBondContact OE1-CG2 3.4Å; E661-N728 WeakPolarHBondContact CB-ND2 3.27Å; E661-N728 WeakPolarHBondContact CG-ND2 3.38Å
662N93.6Very high84.4Confident36 Ų3676.7 Ų76.719%0.19339%0.388CS..EExtended strand (participates in β ladder)trans-116.9125.1165.6-72.7-98.7000109.1T726 V727 C735 F739N662-T726 CarbonylContact O-C 3.29Å; N662-T726 WeakPolarHBondContact O-CA 3.17Å; N662-V727 PolarHBondContact N-O 2.86Å; N662-V727 PolarHBondContact O-N 3.09Å; N662-C735 PolarHBondContact ND2-SG 2.91Å; N662-F739 HydrophobicContact CB-CB 3.84Å; N662-F739 HydrophobicContact CB-CD1 3.89Å; N662-F739 HydrophobicContact CB-CD2 3.63Å; N662-F739 HydrophobicContact CB-CE1 4.32Å; N662-F739 HydrophobicContact CB-CE2 4.08Å; N662-F739 HydrophobicContact CB-CG 3.5Å; N662-F739 HydrophobicContact CB-CZ 4.38Å; N662-F739 WeakPolarHBondContact O-CD2 3.36Å; N662-F739 WeakPolarHBondContact O-CE2 3.44Å
663H92.9Very high84Confident97 Ų9779.6 Ų79.645%0.44941%0.408SS..EExtended strand (participates in β ladder)trans-136.3130.4-172.8-177.275.8000110.8E661 W724 L725 T726E661-H663 HydrophobicContact CG-CB 4.49Å; H663-W724 AromaticContact CD2-CE3 3.62Å; H663-W724 AromaticContact CD2-CZ3 3.78Å; H663-W724 AromaticContact CE1-CD2 3.82Å; H663-W724 AromaticContact CE1-CE3 3.5Å; H663-W724 VanDerWaalsContact CE1-CE3 3.5Å; H663-W724 AromaticContact CE1-CG 3.96Å; H663-W724 AromaticContact NE2-CD2 3.58Å; H663-W724 AromaticContact NE2-CE3 3.02Å; H663-W724 AromaticContact NE2-CZ3 3.48Å; H663-W724 WeakPolarHBondContact NE2-CZ3 3.35Å; H663-L725 WeakPolarHBondContact CA-O 3.45Å; H663-T726 HydrophobicContact CB-CG2 4.31Å; H663-T726 PolarHBondContact ND1-OG1 3.11Å
664S90.3Very high83.6Confident41 Ų4185.3 Ų85.329%0.28744%0.435SS..EExtended strand (participates in β ladder)trans-158.1157.7173.5-1680000112.2L725 F739 K743S664-L725 PolarHBondContact N-O 3.15Å; S664-L725 VanDerWaalsContact N-O 3.11Å; S664-L725 PolarHBondContact O-N 2.99Å; S664-F739 VanDerWaalsContact CB-CZ 3.46Å; S664-K743 VanDerWaalsContact OG-CE 3.27Å; S664-K743 WeakPolarHBondContact OG-CE 3.09Å
665E88.9Confident83.3Confident84 Ų8486.1 Ų86.139%0.39343%0.432SS..EExtended strand (participates in β ladder)trans-73.9142.2175.7-171.2173.2-175.700110.4S722 Q723 W724E665-S722 WeakPolarHBondContact OE1-CB 3.22Å; E665-S722 PolarHBondContact OE1-OG 2.87Å; E665-Q723 WeakPolarHBondContact CA-O 3.31Å; E665-W724 HydrophobicContact CB-CD2 4.32Å; E665-W724 HydrophobicContact CB-CE3 4Å; E665-W724 HydrophobicContact CB-CH2 3.86Å; E665-W724 HydrophobicContact CB-CZ2 4.17Å; E665-W724 HydrophobicContact CB-CZ3 3.78Å; E665-W724 HydrophobicContact CG-CZ2 4.43Å; E665-W724 VanDerWaalsContact N-CE3 3.26Å; E665-W724 VanDerWaalsContact N-CZ3 3.3Å
666L84.6Confident83.2Confident4 Ų480.6 Ų80.62%0.02141%0.407CS..EExtended strand (participates in β ladder)trans-97.1138.5177.8-65.6172.6000110.9F670 I713 Q723 L725 K743 L746L666-F670 HydrophobicContact CB-CE2 4.25Å; L666-F670 HydrophobicContact CD1-CE2 4.36Å; L666-I713 HydrophobicContact CD1-CG2 4.11Å; L666-Q723 HydrophobicContact CB-CB 4.08Å; L666-Q723 HydrophobicContact CD1-CB 4.37Å; L666-Q723 PolarHBondContact N-O 3.12Å; L666-L725 HydrophobicContact CD1-CB 4.18Å; L666-L725 HydrophobicContact CD2-CB 3.93Å; L666-L725 HydrophobicContact CG-CB 4.1Å; L666-K743 HydrophobicContact CD2-CG 4.36Å; L666-L746 HydrophobicContact CD1-CD1 3.91Å; L666-L746 HydrophobicContact CD2-CB 3.82Å; L666-L746 HydrophobicContact CD2-CD1 3.94Å
667S77.1Confident83.3Confident79 Ų7983.9 Ų83.955%0.55242%0.422SS*.SBendtrans-148.6118.8176.259.50000110.2D747S667-D747 PolarHBondContact N-OD1 3.28Å; S667-D747 WeakPolarHBondContact O-CA 3.36Å; S667-D747 WeakPolarHBondContact O-CB 3.44Å; S667-D747 VanDerWaalsContact O-OD1 3.13Å
668P72.4Confident83.2Confident81 Ų8179.9 Ų79.953%0.52642%0.416SS..SBendcis-84.3175.616.933.8-35.3000115F670 D747P668-F670 HydrophobicContact CG-CZ 4.46Å; P668-F670 WeakPolarHBondContact O-CE2 3.43Å; P668-F670 WeakPolarHBondContact O-CZ 3.42Å; P668-D747 WeakPolarHBondContact CD-O 3.47Å
669R68.2Low83.3Confident122 Ų12277.3 Ų77.346%0.4639%0.39SS..  trans-80.9125177.9-73.1-173179.2156.6-2.4112.2K719 E721R669-K719 VanDerWaalsContact NH1-C 3.34Å; R669-K719 PolarHBondContact NH1-O 2.64Å; R669-E721 PolarHBondContact NE-O 3.48Å; R669-E721 VanDerWaalsContact NE-O 3.1Å; R669-E721 PolarHBondContact NH2-O 3.02Å
670F70.3Confident83.7Confident40 Ų4070 Ų7018%0.17535%0.351CS..  trans-82.8144.6174.1-49.8-72.7000111.3L666 P668 V676 Q723 L746L666-F670 HydrophobicContact CB-CE2 4.25Å; L666-F670 HydrophobicContact CD1-CE2 4.36Å; P668-F670 HydrophobicContact CG-CZ 4.46Å; P668-F670 WeakPolarHBondContact O-CE2 3.43Å; P668-F670 WeakPolarHBondContact O-CZ 3.42Å; F670-V676 HydrophobicContact CB-CG2 3.8Å; F670-V676 HydrophobicContact CD1-CG2 4.42Å; F670-V676 HydrophobicContact CD2-CG2 4.37Å; F670-V676 HydrophobicContact CG-CG2 3.88Å; F670-Q723 VanDerWaalsContact CD2-OE1 3.25Å; F670-Q723 PolarHBondContact O-NE2 3.16Å; F670-L746 WeakPolarHBondContact CE1-O 3.28Å; F670-L746 HydrophobicContact CE2-CB 4.04Å; F670-L746 HydrophobicContact CZ-CB 4.14Å; F670-L746 WeakPolarHBondContact CZ-O 3.33Å
671R66Low83.8Confident235 Ų23568.8 Ų68.889%0.88735%0.345SS*.  trans-111.8-21.7170.5-64.8-166.3-172.5-169.76.3113.6
672D78.2Confident83.6Confident88 Ų8873 Ų7347%0.47136%0.358SS..  trans-100.3100.2-174.6-171.4-9.2000110.4Q674 H675 V676D672-Q674 VanDerWaalsContact C-N 3.27Å; D672-Q674 PolarHBondContact O-N 3.1Å; D672-Q674 WeakPolarHBondContact OD1-CB 3.49Å; D672-Q674 PolarHBondContact OD1-N 2.93Å; D672-H675 HydrophobicContact CB-CB 3.94Å; D672-H675 PolarHBondContact O-N 3.21Å; D672-H675 PolarHBondContact OD1-N 2.95Å; D672-V676 PolarHBondContact O-N 3.26Å
673S80.8Confident83.5Confident65 Ų6573.6 Ų73.646%0.45536%0.361SS..Hα-helixtrans-62.4-34.1178.354.20000112.3V676 Q677S673-V676 PolarHBondContact O-N 3.43Å; S673-Q677 WeakPolarHBondContact O-CB 3.43Å; S673-Q677 PolarHBondContact O-N 3.46Å
674Q81.8Confident83.6Confident148 Ų14869 Ų6969%0.69234%0.339SS*.Hα-helixtrans-68.1-40.6178.8-64.1-170.72.200111.1D672 Q677 S678D672-Q674 VanDerWaalsContact C-N 3.27Å; D672-Q674 PolarHBondContact O-N 3.1Å; D672-Q674 WeakPolarHBondContact OD1-CB 3.49Å; D672-Q674 PolarHBondContact OD1-N 2.93Å; Q674-Q677 PolarHBondContact O-N 3.13Å; Q674-S678 WeakPolarHBondContact O-CB 3.26Å; Q674-S678 PolarHBondContact O-N 3.08Å; Q674-S678 PolarHBondContact O-OG 3.17Å
675H84Confident83.8Confident109 Ų10967.5 Ų67.551%0.50533%0.328SS..Hα-helixtrans-60.8-47.8175.9-17267.7000111.2D672 Q677 S678 G679D672-H675 HydrophobicContact CB-CB 3.94Å; D672-H675 PolarHBondContact O-N 3.21Å; D672-H675 PolarHBondContact OD1-N 2.95Å; H675-Q677 PolarHBondContact O-N 2.61Å; H675-S678 PolarHBondContact O-N 3.16Å; H675-S678 PolarHBondContact O-OG 3.47Å; H675-G679 PolarHBondContact O-N 2.61Å
676V87.5Confident84.1Confident2 Ų263.6 Ų63.61%0.01231%0.31CS..Hα-helixtrans-60.6-48.1177.7176.50000111F670 D672 S673 S678 G679 V680 M696 I713 I715 L746F670-V676 HydrophobicContact CB-CG2 3.8Å; F670-V676 HydrophobicContact CD1-CG2 4.42Å; F670-V676 HydrophobicContact CD2-CG2 4.37Å; F670-V676 HydrophobicContact CG-CG2 3.88Å; D672-V676 PolarHBondContact O-N 3.26Å; S673-V676 PolarHBondContact O-N 3.43Å; V676-S678 PolarHBondContact O-N 2.81Å; V676-G679 PolarHBondContact O-N 3.25Å; V676-V680 HydrophobicContact CG1-CG2 4.39Å; V676-V680 WeakPolarHBondContact O-CG2 3.47Å; V676-V680 PolarHBondContact O-N 3.31Å; V676-M696 HydrophobicContact CB-CE 3.81Å; V676-M696 HydrophobicContact CG1-CE 3.35Å; V676-I713 HydrophobicContact CG1-CD1 3.88Å; V676-I715 HydrophobicContact CB-CD1 4.37Å; V676-I715 HydrophobicContact CG1-CD1 4.3Å; V676-I715 HydrophobicContact CG2-CD1 4.12Å; V676-L746 HydrophobicContact CG1-CD2 3.8Å; V676-L746 HydrophobicContact CG2-CD2 4.4Å
677Q89.4Confident84.5Confident71 Ų7165.3 Ų65.333%0.33232%0.318SS..Hα-helixtrans-57.9-48.3177.4-176.6-179.4-6.400111.5S673 Q674 H675 G679 V680 L681 M696 F698S673-Q677 WeakPolarHBondContact O-CB 3.43Å; S673-Q677 PolarHBondContact O-N 3.46Å; Q674-Q677 PolarHBondContact O-N 3.13Å; H675-Q677 PolarHBondContact O-N 2.61Å; Q677-G679 VanDerWaalsContact C-N 3.26Å; Q677-G679 PolarHBondContact O-N 3.27Å; Q677-V680 PolarHBondContact O-N 2.79Å; Q677-L681 HydrophobicContact CG-CD1 4.09Å; Q677-L681 HydrophobicContact CG-CG 4.46Å; Q677-L681 WeakPolarHBondContact O-CB 3.45Å; Q677-L681 VanDerWaalsContact O-CG 3.27Å; Q677-L681 WeakPolarHBondContact O-CG 3.47Å; Q677-L681 PolarHBondContact O-N 3.06Å; Q677-M696 HydrophobicContact CB-SD 4.43Å; Q677-F698 HydrophobicContact CB-CZ 4.33Å; Q677-F698 HydrophobicContact CG-CE1 3.92Å; Q677-F698 HydrophobicContact CG-CZ 4.02Å
678S86.8Confident85.3Confident62 Ų6263 Ų6343%0.43430%0.301SS..Hα-helixtrans-61.1-36.7178.776.50000112.4Q674 H675 V676 R682Q674-S678 WeakPolarHBondContact O-CB 3.26Å; Q674-S678 PolarHBondContact O-N 3.08Å; Q674-S678 PolarHBondContact O-OG 3.17Å; H675-S678 PolarHBondContact O-N 3.16Å; H675-S678 PolarHBondContact O-OG 3.47Å; V676-S678 PolarHBondContact O-N 2.81Å; S678-R682 VanDerWaalsContact O-CB 3.31Å; S678-R682 WeakPolarHBondContact O-CB 3.37Å; S678-R682 PolarHBondContact O-N 2.93Å
679G88.9Confident86.1Confident3 Ų359.9 Ų59.93%0.03128%0.28CS..Hα-helixtrans-67.5-47.7176.900000112.8H675 V676 Q677 L681 R682 M683 F745H675-G679 PolarHBondContact O-N 2.61Å; V676-G679 PolarHBondContact O-N 3.25Å; Q677-G679 VanDerWaalsContact C-N 3.26Å; Q677-G679 PolarHBondContact O-N 3.27Å; G679-L681 PolarHBondContact O-N 3.34Å; G679-R682 WeakPolarHBondContact O-CB 3.31Å; G679-R682 PolarHBondContact O-N 3.34Å; G679-R682 VanDerWaalsContact O-N 3.16Å; G679-M683 WeakPolarHBondContact O-CG 3.44Å; G679-M683 PolarHBondContact O-N 3.33Å; G679-F745 VanDerWaalsContact CA-CE1 3.49Å
680V92.7Very high86.8Confident0 Ų058.8 Ų58.80%029%0.289CS..Hα-helixtrans-59-48.2175.4175.30000110.5V676 Q677 R682 M683 A684 V686 F698 I711 I713 L742V676-V680 HydrophobicContact CG1-CG2 4.39Å; V676-V680 WeakPolarHBondContact O-CG2 3.47Å; V676-V680 PolarHBondContact O-N 3.31Å; Q677-V680 PolarHBondContact O-N 2.79Å; V680-R682 VanDerWaalsContact C-N 3.26Å; V680-R682 PolarHBondContact O-N 3.32Å; V680-M683 PolarHBondContact O-N 3.02Å; V680-M683 VanDerWaalsContact O-N 3.17Å; V680-A684 PolarHBondContact O-N 2.98Å; V680-V686 HydrophobicContact CG1-CG2 4.03Å; V680-F698 HydrophobicContact CB-CE1 4.28Å; V680-F698 HydrophobicContact CB-CE2 4.32Å; V680-F698 HydrophobicContact CB-CZ 4.07Å; V680-F698 HydrophobicContact CG1-CD1 4.02Å; V680-F698 HydrophobicContact CG1-CD2 3.98Å; V680-F698 HydrophobicContact CG1-CE1 4.03Å; V680-F698 HydrophobicContact CG1-CE2 4.01Å; V680-F698 HydrophobicContact CG1-CG 4Å; V680-F698 HydrophobicContact CG1-CZ 4.05Å; V680-F698 HydrophobicContact CG2-CE2 4.29Å; V680-F698 HydrophobicContact CG2-CZ 4.37Å; V680-I711 HydrophobicContact CG1-CD1 4.33Å; V680-I713 HydrophobicContact CG2-CD1 3.59Å; V680-L742 HydrophobicContact CG1-CD2 4.43Å; V680-L742 HydrophobicContact CG2-CD2 4.34Å
681L92.3Very high87Confident19 Ų1960.7 Ų60.710%0.09931%0.307CS..Hα-helixtrans-63.9-31.3178.2-66.7179.4000112.3Y521 R546 Q677 G679 A684 V686 P688 F698Y521-L681 WeakPolarHBondContact CB-O 3.37Å; R546-L681 PolarHBondContact NH1-O 3.17Å; Q677-L681 HydrophobicContact CG-CD1 4.09Å; Q677-L681 HydrophobicContact CG-CG 4.46Å; Q677-L681 WeakPolarHBondContact O-CB 3.45Å; Q677-L681 VanDerWaalsContact O-CG 3.27Å; Q677-L681 WeakPolarHBondContact O-CG 3.47Å; Q677-L681 PolarHBondContact O-N 3.06Å; G679-L681 PolarHBondContact O-N 3.34Å; L681-A684 VanDerWaalsContact O-O 3.09Å; L681-V686 HydrophobicContact CD2-CG2 4.02Å; L681-V686 VanDerWaalsContact CD2-O 3.31Å; L681-V686 WeakPolarHBondContact CD2-O 3.44Å; L681-P688 HydrophobicContact CD2-CG 4.38Å; L681-F698 HydrophobicContact CD2-CD1 4.12Å; L681-F698 HydrophobicContact CD2-CE1 4.14Å; L681-F698 HydrophobicContact CG-CE1 4.3Å
682R89.6Confident87.2Confident147 Ų14753 Ų5356%0.55529%0.286SS*.Hα-helixtrans-69.8-41173.9-176.6176.3-177.2-175.80.7111.8Y521 R546 S678 G679 V680Y521-R682 HydrophobicContact CD1-CB 4.41Å; Y521-R682 HydrophobicContact CE1-CB 4.06Å; Y521-R682 HydrophobicContact CE1-CG 3.81Å; R546-R682 PolarHBondContact NH2-O 3.45Å; S678-R682 VanDerWaalsContact O-CB 3.31Å; S678-R682 WeakPolarHBondContact O-CB 3.37Å; S678-R682 PolarHBondContact O-N 2.93Å; G679-R682 WeakPolarHBondContact O-CB 3.31Å; G679-R682 PolarHBondContact O-N 3.34Å; G679-R682 VanDerWaalsContact O-N 3.16Å; V680-R682 VanDerWaalsContact C-N 3.26Å; V680-R682 PolarHBondContact O-N 3.32Å
683M91.3Very high86.6Confident49 Ų4955.7 Ų55.724%0.24130%0.3CS..Hα-helixtrans-80.8-30-176.7-68-17175.400114.3G636 G679 V680 Q741 L742 F745G636-M683 WeakPolarHBondContact CA-O 3.47Å; G679-M683 WeakPolarHBondContact O-CG 3.44Å; G679-M683 PolarHBondContact O-N 3.33Å; V680-M683 PolarHBondContact O-N 3.02Å; V680-M683 VanDerWaalsContact O-N 3.17Å; M683-Q741 HydrophobicContact CE-CB 3.87Å; M683-Q741 VanDerWaalsContact CE-O 3.31Å; M683-Q741 WeakPolarHBondContact CE-O 3.44Å; M683-L742 HydrophobicContact CB-CD2 4.15Å; M683-L742 HydrophobicContact SD-CD2 4.17Å; M683-F745 HydrophobicContact CE-CB 3.89Å; M683-F745 HydrophobicContact CG-CG 4.49Å; M683-F745 HydrophobicContact SD-CB 3.18Å; M683-F745 WeakPolarHBondContact SD-CB 3.12Å; M683-F745 HydrophobicContact SD-CD1 3.69Å; M683-F745 HydrophobicContact SD-CD2 3.87Å; M683-F745 HydrophobicContact SD-CG 3.27Å; M683-F745 WeakPolarHBondContact SD-CG 3.08Å
684A94.2Very high86.6Confident0 Ų056.1 Ų56.10%030%0.298CS..SBendtrans-134.7137-17300000111.3L639 V680 L681 V686 L738L639-A684 HydrophobicContact CD1-CB 4.36Å; V680-A684 PolarHBondContact O-N 2.98Å; L681-A684 VanDerWaalsContact O-O 3.09Å; A684-V686 VanDerWaalsContact C-N 3.27Å; A684-V686 HydrophobicContact CB-CG1 3.77Å; A684-V686 HydrophobicContact CB-CG2 4.32Å; A684-V686 PolarHBondContact O-N 3.14Å; A684-L738 HydrophobicContact CB-CD1 4.05Å
685N94.6Very high86.9Confident10 Ų1051.3 Ų51.35%0.05328%0.276CS..  trans-80.876.2176-169.925.8000110.3A519 R546 G636 L639 P641A519-N685 WeakPolarHBondContact CB-OD1 3.36Å; R546-N685 HydrophobicContact CG-CB 4.19Å; G636-N685 PolarHBondContact O-N 2.93Å; L639-N685 WeakPolarHBondContact O-CB 3.12Å; L639-N685 PolarHBondContact O-ND2 3.29Å; P641-N685 WeakPolarHBondContact CD-ND2 3.45Å; P641-N685 WeakPolarHBondContact CD-O 3.28Å; P641-N685 WeakPolarHBondContact CG-OD1 3.39Å
686V95.2Very high87.2Confident1 Ų146.8 Ų46.81%0.00626%0.255CS..  trans-124.6156.1-173.8-58.80000111.5L639 V680 L681 A684 F698 A700 I711L639-V686 HydrophobicContact CD1-CG1 4.03Å; V680-V686 HydrophobicContact CG1-CG2 4.03Å; L681-V686 HydrophobicContact CD2-CG2 4.02Å; L681-V686 VanDerWaalsContact CD2-O 3.31Å; L681-V686 WeakPolarHBondContact CD2-O 3.44Å; A684-V686 VanDerWaalsContact C-N 3.27Å; A684-V686 HydrophobicContact CB-CG1 3.77Å; A684-V686 HydrophobicContact CB-CG2 4.32Å; A684-V686 PolarHBondContact O-N 3.14Å; V686-F698 HydrophobicContact CB-CB 4.02Å; V686-F698 HydrophobicContact CG2-CB 3.68Å; V686-F698 HydrophobicContact CG2-CD1 3.83Å; V686-F698 HydrophobicContact CG2-CG 4.03Å; V686-A700 HydrophobicContact CB-CB 4.27Å; V686-A700 HydrophobicContact CG1-CB 3.79Å; V686-I711 HydrophobicContact CG1-CD1 3.95Å; V686-I711 HydrophobicContact CG2-CD1 4.48Å
687H93.7Very high87.5Confident40 Ų4047.8 Ų47.819%0.18526%0.259CS..EExtended strand (participates in β ladder)trans-95.2125.2175.5-173.460.2000110.3P641 I642 F698 C699P641-H687 HydrophobicContact CB-CB 3.87Å; I642-H687 VanDerWaalsContact O-CB 3.27Å; I642-H687 WeakPolarHBondContact O-CB 3.22Å; H687-F698 CarbonylContact O-C 3.53Å; H687-F698 WeakPolarHBondContact O-CA 3.27Å; H687-C699 PolarHBondContact N-O 2.97Å; H687-C699 PolarHBondContact O-N 2.92Å
688P93.2Very high87.9Confident30 Ų3044.5 Ų44.520%0.19524%0.244CC..EExtended strand (participates in β ladder)trans-76.6132.7174.331.1-31.3000110.8S520 L681 F698S520-P688 WeakPolarHBondContact OG-CD 3.4Å; L681-P688 HydrophobicContact CD2-CG 4.38Å; P688-F698 HydrophobicContact CB-CD1 3.85Å; P688-F698 HydrophobicContact CB-CE1 3.84Å
689L90.2Very high88.3Confident16 Ų1641.6 Ų41.68%0.08422%0.223CC..EExtended strand (participates in β ladder)trans-95161.8172.9-66-178000111.2L644 F649 S691 R697L644-L689 HydrophobicContact CB-CD1 4.36Å; L644-L689 WeakPolarHBondContact O-CD2 3.42Å; F649-L689 HydrophobicContact CB-CD1 3.98Å; F649-L689 HydrophobicContact CD2-CD1 3.63Å; F649-L689 HydrophobicContact CE2-CD1 4.47Å; F649-L689 HydrophobicContact CG-CD1 4.05Å; L689-S691 PolarHBondContact O-N 3.34Å; L689-S691 VanDerWaalsContact O-N 3.1Å; L689-R697 HydrophobicContact CB-CB 4.01Å; L689-R697 HydrophobicContact CD1-CB 4.26Å; L689-R697 PolarHBondContact N-O 3Å
690P82.9Confident88.6Confident100 Ų10041.4 Ų41.465%0.64922%0.221SC*.EExtended strand (participates in β ladder)trans-51.5119.1173.9-25.534.2000111.2
691S73Confident88.6Confident79 Ų7941.8 Ų41.855%0.55222%0.223SC*.EExtended strand (participates in β ladder)trans-79.1130.9179.551.60000110.4L689L689-S691 PolarHBondContact O-N 3.34Å; L689-S691 VanDerWaalsContact O-N 3.1Å
692T71.6Confident88.6Confident73 Ų7340.9 Ų40.945%0.44822%0.219SC..EExtended strand (participates in β ladder)trans-78.9153.9157.845.70000108.5D694 I695 R697T692-D694 PolarHBondContact O-N 2.94Å; T692-I695 PolarHBondContact N-O 3.35Å; T692-I695 PolarHBondContact O-N 3.36Å; T692-I695 PolarHBondContact OG1-O 2.95Å; T692-R697 PolarHBondContact OG1-NH1 3.4Å; T692-R697 VanDerWaalsContact OG1-NH1 3.11Å
693D65.4Low88.6Confident146 Ų14634.7 Ų34.778%0.78120%0.196SC*.THydrogen-bonded Turntrans-51.4-27-172.8-64.5-34.1000114.2
694D79.4Confident88.4Confident74 Ų7433.7 Ų33.740%0.39620%0.196SC..THydrogen-bonded Turntrans-100.3-17.3179.5-64.5-41.8000116T692 R714 I715T692-D694 PolarHBondContact O-N 2.94Å; D694-R714 CarbonylContact O-C 3.53Å; D694-R714 VanDerWaalsContact O-CA 3.28Å; D694-R714 WeakPolarHBondContact O-CA 3.43Å; D694-I715 PolarHBondContact O-N 3.29Å
695I88.5Confident87.9Confident46 Ų4635.7 Ų35.724%0.23622%0.216CC..EExtended strand (participates in β ladder)trans-140120.4-168-53.1175.9000111.6T692 R697 I713 R714T692-I695 PolarHBondContact N-O 3.35Å; T692-I695 PolarHBondContact O-N 3.36Å; T692-I695 PolarHBondContact OG1-O 2.95Å; I695-R697 HydrophobicContact CG2-CG 4.06Å; I695-I713 WeakPolarHBondContact CA-O 3.34Å; I695-R714 HydrophobicContact CG1-CB 4.4Å; I695-R714 HydrophobicContact CG1-CG 4.21Å
696M91.4Very high87.5Confident15 Ų1539.8 Ų39.87%0.07423%0.234CC..EExtended strand (participates in β ladder)trans-91.2137.7166.3-64.1-174.9-61.600110.3V676 Q677 F698 S712 I713 I715V676-M696 HydrophobicContact CB-CE 3.81Å; V676-M696 HydrophobicContact CG1-CE 3.35Å; Q677-M696 HydrophobicContact CB-SD 4.43Å; M696-F698 HydrophobicContact CB-CE2 3.96Å; M696-F698 HydrophobicContact CB-CZ 4.42Å; M696-S712 CarbonylContact O-C 3.6Å; M696-S712 WeakPolarHBondContact O-CA 3.37Å; M696-I713 HydrophobicContact CE-CB 4.13Å; M696-I713 HydrophobicContact CE-CD1 4.43Å; M696-I713 HydrophobicContact CE-CG2 4.18Å; M696-I713 PolarHBondContact N-O 2.91Å; M696-I713 PolarHBondContact O-N 2.98Å; M696-I715 HydrophobicContact CE-CD1 3.29Å; M696-I715 HydrophobicContact CE-CG1 4.14Å
697R94.1Very high87.3Confident22 Ų2241.8 Ų41.88%0.08324%0.243CC..EExtended strand (participates in β ladder)trans-126.3137-177.6-66.8176.9-17979.41109.9F649 L689 T692 I695 I711F649-R697 HydrophobicContact CD1-CG 4.17Å; F649-R697 HydrophobicContact CD2-CB 4.35Å; F649-R697 HydrophobicContact CE1-CB 4.3Å; F649-R697 HydrophobicContact CE1-CG 3.79Å; F649-R697 HydrophobicContact CE2-CB 3.98Å; F649-R697 HydrophobicContact CE2-CG 4.37Å; F649-R697 HydrophobicContact CZ-CB 3.96Å; F649-R697 HydrophobicContact CZ-CG 3.9Å; L689-R697 HydrophobicContact CB-CB 4.01Å; L689-R697 HydrophobicContact CD1-CB 4.26Å; L689-R697 PolarHBondContact N-O 3Å; T692-R697 PolarHBondContact OG1-NH1 3.4Å; T692-R697 VanDerWaalsContact OG1-NH1 3.11Å; I695-R697 HydrophobicContact CG2-CG 4.06Å; R697-I711 CarbonylContact C-O 3.55Å; R697-I711 WeakPolarHBondContact CA-O 3.45Å
698F96.2Very high87.3Confident3 Ų340.4 Ų40.41%0.01324%0.237CC..EExtended strand (participates in β ladder)trans-133.7142173.6-49.8-100.6000109.9F649 Q677 V680 L681 V686 H687 P688 M696 I711 I713F649-F698 WeakPolarHBondContact CE2-O 3.37Å; Q677-F698 HydrophobicContact CB-CZ 4.33Å; Q677-F698 HydrophobicContact CG-CE1 3.92Å; Q677-F698 HydrophobicContact CG-CZ 4.02Å; V680-F698 HydrophobicContact CB-CE1 4.28Å; V680-F698 HydrophobicContact CB-CE2 4.32Å; V680-F698 HydrophobicContact CB-CZ 4.07Å; V680-F698 HydrophobicContact CG1-CD1 4.02Å; V680-F698 HydrophobicContact CG1-CD2 3.98Å; V680-F698 HydrophobicContact CG1-CE1 4.03Å; V680-F698 HydrophobicContact CG1-CE2 4.01Å; V680-F698 HydrophobicContact CG1-CG 4Å; V680-F698 HydrophobicContact CG1-CZ 4.05Å; V680-F698 HydrophobicContact CG2-CE2 4.29Å; V680-F698 HydrophobicContact CG2-CZ 4.37Å; L681-F698 HydrophobicContact CD2-CD1 4.12Å; L681-F698 HydrophobicContact CD2-CE1 4.14Å; L681-F698 HydrophobicContact CG-CE1 4.3Å; V686-F698 HydrophobicContact CB-CB 4.02Å; V686-F698 HydrophobicContact CG2-CB 3.68Å; V686-F698 HydrophobicContact CG2-CD1 3.83Å; V686-F698 HydrophobicContact CG2-CG 4.03Å; H687-F698 CarbonylContact O-C 3.53Å; H687-F698 WeakPolarHBondContact O-CA 3.27Å; P688-F698 HydrophobicContact CB-CD1 3.85Å; P688-F698 HydrophobicContact CB-CE1 3.84Å; M696-F698 HydrophobicContact CB-CE2 3.96Å; M696-F698 HydrophobicContact CB-CZ 4.42Å; F698-I711 HydrophobicContact CB-CB 4.15Å; F698-I711 HydrophobicContact CB-CD1 4.42Å; F698-I711 HydrophobicContact CD2-CB 4.3Å; F698-I711 HydrophobicContact CD2-CG2 4.31Å; F698-I711 PolarHBondContact N-O 3.45Å; F698-I711 PolarHBondContact O-N 2.98Å; F698-I713 HydrophobicContact CE2-CD1 4.28Å
699C95.1Very high87.4Confident0 Ų039 Ų390%023%0.228CC..EExtended strand (participates in β ladder)trans-132.2146.3-178.956.90000112.1I642 L644 F649 H687 L709 L710I642-C699 HydrophobicContact CG1-CB 4.22Å; I642-C699 PolarHBondContact O-SG 3.37Å; L644-C699 HydrophobicContact CD1-CB 3.7Å; L644-C699 HydrophobicContact CG-CB 4.28Å; F649-C699 HydrophobicContact CD2-CB 4.37Å; H687-C699 PolarHBondContact N-O 2.97Å; H687-C699 PolarHBondContact O-N 2.92Å; C699-L709 WeakPolarHBondContact CA-O 3.2Å; C699-L710 HydrophobicContact CB-CD2 4.13Å
700A95.5Very high87.7Confident0 Ų038.2 Ų38.20%022%0.224CC..EExtended strand (participates in β ladder)trans-155.7-178.3176.300000109.5L639 R640 I642 V686 L709L639-A700 HydrophobicContact CB-CB 4.15Å; R640-A700 CarbonylContact O-C 3.58Å; R640-A700 WeakPolarHBondContact O-CA 3.38Å; R640-A700 VanDerWaalsContact O-CB 3.27Å; R640-A700 WeakPolarHBondContact O-CB 3.32Å; I642-A700 WeakPolarHBondContact CD1-O 3.15Å; V686-A700 HydrophobicContact CB-CB 4.27Å; V686-A700 HydrophobicContact CG1-CB 3.79Å; A700-L709 PolarHBondContact N-O 2.91Å; A700-L709 PolarHBondContact O-N 3.32Å
701Q93.4Very high88.4Confident8 Ų833.4 Ų33.44%0.03719%0.193CC..EExtended strand (participates in β ladder)trans-133.5154.9164.567.2-172.4-11.500110.6L639 R640 I642 Q707L639-Q701 WeakPolarHBondContact CA-O 3.31Å; R640-Q701 HydrophobicContact CB-CG 4.13Å; R640-Q701 PolarHBondContact N-O 3.48Å; R640-Q701 PolarHBondContact O-N 2.78Å; I642-Q701 HydrophobicContact CG2-CB 4.01Å; I642-Q701 VanDerWaalsContact CG2-CD 3.49Å; I642-Q701 HydrophobicContact CG2-CG 3.6Å; Q701-Q707 CarbonylContact C-O 3.52Å; Q701-Q707 WeakPolarHBondContact CA-O 3.3Å; Q701-Q707 WeakPolarHBondContact CB-O 3.49Å
702T92.7Very high89.3Confident0 Ų030.2 Ų30.20%017%0.171CC..EExtended strand (participates in β ladder)trans-64.9141172.460.40000110.5K706 Q707 N731 I734T702-K706 WeakPolarHBondContact O-CA 3.48Å; T702-K706 PolarHBondContact O-N 2.96Å; T702-K706 PolarHBondContact OG1-N 3.46Å; T702-Q707 HydrophobicContact CG2-CB 4.36Å; T702-Q707 PolarHBondContact N-O 3.35Å; T702-Q707 PolarHBondContact OG1-N 3.49Å; T702-N731 HydrophobicContact CG2-CB 4.44Å; T702-I734 HydrophobicContact CG2-CD1 3.65Å; T702-I734 HydrophobicContact CG2-CG2 4.43Å
703L89.5Confident90.3Very high17 Ų1726.7 Ų26.79%0.08915%0.149CC..THydrogen-bonded Turntrans-66.6-39.8179.2-76171.6000113.7A554 C556 Q638 R640A554-L703 WeakPolarHBondContact CA-O 3.43Å; A554-L703 WeakPolarHBondContact CB-O 3.3Å; C556-L703 HydrophobicContact CB-CD1 4.44Å; C556-L703 WeakPolarHBondContact SG-CD1 3.42Å; Q638-L703 WeakPolarHBondContact O-CG 3.41Å; Q638-L703 PolarHBondContact O-N 2.65Å; R640-L703 HydrophobicContact CB-CD2 3.82Å
704A86.2Confident91.5Very high28 Ų2824.8 Ų24.823%0.23113%0.131CC..THydrogen-bonded Turntrans-80.6-49.4-174.600000112.5D610D610-A704 WeakPolarHBondContact OD1-CB 3.23Å
705G83.5Confident91.7Very high42 Ų4222.4 Ų22.443%0.43312%0.118SC..THydrogen-bonded Turntrans-90.6-11.1-176.900000115.5Q707G705-Q707 PolarHBondContact O-N 3.3Å; G705-Q707 VanDerWaalsContact O-N 3.16Å
706K87.3Confident91.2Very high95 Ų9520.8 Ų20.841%0.41311%0.11SC..  trans51.329.8-170.5-57.8-171.9175.3-167.80113.7D553 T702D553-K706 WeakPolarHBondContact OD2-CE 3.33Å; D553-K706 IonicContact OD2-NZ 2.83Å; D553-K706 PolarHBondContact OD2-NZ 3.34Å; T702-K706 WeakPolarHBondContact O-CA 3.48Å; T702-K706 PolarHBondContact O-N 2.96Å; T702-K706 PolarHBondContact OG1-N 3.46Å
707Q90.9Very high90.2Very high43 Ų4328 Ų2820%0.20114%0.144CC..  trans-83.5137.8178.6-65.3177.2-45.900110.6Q701 T702 G705 E730Q701-Q707 CarbonylContact C-O 3.52Å; Q701-Q707 WeakPolarHBondContact CA-O 3.3Å; Q701-Q707 WeakPolarHBondContact CB-O 3.49Å; T702-Q707 HydrophobicContact CG2-CB 4.36Å; T702-Q707 PolarHBondContact N-O 3.35Å; T702-Q707 PolarHBondContact OG1-N 3.49Å; G705-Q707 PolarHBondContact O-N 3.3Å; G705-Q707 VanDerWaalsContact O-N 3.16Å; Q707-E730 HydrophobicContact CB-CB 4.38Å; Q707-E730 HydrophobicContact CG-CB 4.38Å; Q707-E730 PolarHBondContact NE2-OE2 3.46Å
708P93.5Very high89Confident11 Ų1128.9 Ų28.97%0.07116%0.16CC..EExtended strand (participates in β ladder)trans-66.8139.1-179.127.5-33.4000111.7F514 L652 L656F514-P708 HydrophobicContact CE2-CB 3.87Å; F514-P708 HydrophobicContact CE2-CG 4.06Å; F514-P708 HydrophobicContact CZ-CB 4.09Å; F514-P708 HydrophobicContact CZ-CG 4.24Å; L652-P708 HydrophobicContact CD1-CB 4.35Å; L652-P708 HydrophobicContact CD2-CG 4.23Å; L656-P708 HydrophobicContact CD1-CG 4.24Å
709L95.5Very high87.4Confident0 Ų036.8 Ų36.80%019%0.194CC..EExtended strand (participates in β ladder)trans-124.5126.5173.1-176.4146.1000109.3L639 C699 A700 I711 V727 N728 C729 I734 L738L639-L709 HydrophobicContact CD1-CD1 4.17Å; L639-L709 HydrophobicContact CD1-CD2 4.14Å; L639-L709 HydrophobicContact CD2-CD1 3.87Å; C699-L709 WeakPolarHBondContact CA-O 3.2Å; A700-L709 PolarHBondContact N-O 2.91Å; A700-L709 PolarHBondContact O-N 3.32Å; L709-I711 HydrophobicContact CD2-CD1 4.04Å; L709-I711 HydrophobicContact CD2-CG1 3.72Å; L709-V727 HydrophobicContact CG-CG1 4.45Å; L709-N728 CarbonylContact C-O 3.53Å; L709-N728 WeakPolarHBondContact CA-O 3.36Å; L709-C729 HydrophobicContact CB-CB 4.14Å; L709-C729 HydrophobicContact CD1-CB 3.9Å; L709-C729 HydrophobicContact CG-CB 3.98Å; L709-I734 HydrophobicContact CD1-CG2 3.64Å; L709-L738 HydrophobicContact CD1-CD2 3.67Å; L709-L738 HydrophobicContact CD2-CD2 3.69Å; L709-L738 HydrophobicContact CG-CD2 4.32Å
710L96.6Very high85.9Confident0 Ų045.3 Ų45.30%023%0.234CC..EExtended strand (participates in β ladder)trans-118.8137.9-178.2-48.4179.3000109.8L644 F649 L652 Q653 L656 C699 V727 N728L644-L710 HydrophobicContact CD1-CD2 3.79Å; F649-L710 HydrophobicContact CD2-CB 4.39Å; F649-L710 HydrophobicContact CD2-CD1 4.44Å; F649-L710 HydrophobicContact CD2-CD2 3.73Å; F649-L710 HydrophobicContact CD2-CG 4.41Å; F649-L710 HydrophobicContact CE2-CB 3.64Å; F649-L710 HydrophobicContact CE2-CD1 4.38Å; F649-L710 HydrophobicContact CE2-CD2 3.8Å; F649-L710 HydrophobicContact CE2-CG 4.14Å; F649-L710 HydrophobicContact CZ-CB 3.8Å; L652-L710 HydrophobicContact CB-CD1 3.72Å; Q653-L710 HydrophobicContact CB-CD1 3.95Å; L656-L710 HydrophobicContact CD1-CD1 4.38Å; C699-L710 HydrophobicContact CB-CD2 4.13Å; L710-V727 CarbonylContact O-C 3.54Å; L710-V727 VanDerWaalsContact O-CA 3.31Å; L710-V727 WeakPolarHBondContact O-CA 3.28Å; L710-N728 HydrophobicContact CB-CB 4.2Å; L710-N728 PolarHBondContact N-O 3.38Å; L710-N728 PolarHBondContact O-N 3.4Å
711I96.4Very high84.9Confident0 Ų049.6 Ų49.60%025%0.254CS..EExtended strand (participates in β ladder)trans-124.5125173-52.8167.7000107.1V680 V686 R697 F698 L709 I713 L725 T726 V727 L738 L742V680-I711 HydrophobicContact CG1-CD1 4.33Å; V686-I711 HydrophobicContact CG1-CD1 3.95Å; V686-I711 HydrophobicContact CG2-CD1 4.48Å; R697-I711 CarbonylContact C-O 3.55Å; R697-I711 WeakPolarHBondContact CA-O 3.45Å; F698-I711 HydrophobicContact CB-CB 4.15Å; F698-I711 HydrophobicContact CB-CD1 4.42Å; F698-I711 HydrophobicContact CD2-CB 4.3Å; F698-I711 HydrophobicContact CD2-CG2 4.31Å; F698-I711 PolarHBondContact N-O 3.45Å; F698-I711 PolarHBondContact O-N 2.98Å; L709-I711 HydrophobicContact CD2-CD1 4.04Å; L709-I711 HydrophobicContact CD2-CG1 3.72Å; I711-I713 HydrophobicContact CG2-CG1 4.19Å; I711-L725 HydrophobicContact CG2-CD1 3.9Å; I711-T726 WeakPolarHBondContact CA-O 3.42Å; I711-V727 HydrophobicContact CG1-CG2 4.31Å; I711-V727 HydrophobicContact CG2-CG2 4.36Å; I711-L738 HydrophobicContact CD1-CD2 4.11Å; I711-L742 HydrophobicContact CD1-CD1 3.8Å; I711-L742 HydrophobicContact CG1-CD1 4.36Å; I711-L742 HydrophobicContact CG2-CD1 4.17Å
712S93.6Very high84.3Confident11 Ų1151 Ų518%0.07726%0.264CS..EExtended strand (participates in β ladder)trans-124.6126.6171.261.80000110.5Q653 M696 T726Q653-S712 PolarHBondContact NE2-OG 3.03Å; M696-S712 CarbonylContact O-C 3.6Å; M696-S712 WeakPolarHBondContact O-CA 3.37Å; S712-T726 PolarHBondContact N-O 2.8Å; S712-T726 PolarHBondContact O-N 3.4Å; S712-T726 WeakPolarHBondContact OG-CB 3.46Å
713I92.1Very high84.1Confident0 Ų051.3 Ų51.30%027%0.266CS..EExtended strand (participates in β ladder)trans-117115.8178.3-53.3178.6000107.8L666 V676 V680 I695 M696 F698 I711 I715 W724 L725 L746L666-I713 HydrophobicContact CD1-CG2 4.11Å; V676-I713 HydrophobicContact CG1-CD1 3.88Å; V680-I713 HydrophobicContact CG2-CD1 3.59Å; I695-I713 WeakPolarHBondContact CA-O 3.34Å; M696-I713 HydrophobicContact CE-CB 4.13Å; M696-I713 HydrophobicContact CE-CD1 4.43Å; M696-I713 HydrophobicContact CE-CG2 4.18Å; M696-I713 PolarHBondContact N-O 2.91Å; M696-I713 PolarHBondContact O-N 2.98Å; F698-I713 HydrophobicContact CE2-CD1 4.28Å; I711-I713 HydrophobicContact CG2-CG1 4.19Å; I713-I715 HydrophobicContact CG2-CD1 4.13Å; I713-I715 HydrophobicContact CG2-CG1 3.85Å; I713-W724 CarbonylContact C-O 3.48Å; I713-W724 WeakPolarHBondContact CA-O 3.3Å; I713-L725 HydrophobicContact CD1-CD1 4.28Å; I713-L725 HydrophobicContact CG1-CD1 3.77Å; I713-L746 HydrophobicContact CD1-CD1 4.11Å
714R89.6Confident84.1Confident106 Ų10654.4 Ų54.440%0.428%0.276SS..EExtended strand (participates in β ladder)trans-91.4117.1176.6-174.7176.9172.9175.9-5.1109.7D694 I695 E721 Q723 W724D694-R714 CarbonylContact O-C 3.53Å; D694-R714 VanDerWaalsContact O-CA 3.28Å; D694-R714 WeakPolarHBondContact O-CA 3.43Å; I695-R714 HydrophobicContact CG1-CB 4.4Å; I695-R714 HydrophobicContact CG1-CG 4.21Å; R714-E721 IonicContact CZ-OE2 2.7Å; R714-E721 IonicContact NH2-OE2 3.67Å; R714-E721 PolarHBondContact NH2-OE2 3.44Å; R714-Q723 VanDerWaalsContact O-CA 3.29Å; R714-Q723 WeakPolarHBondContact O-CA 3.3Å; R714-W724 HydrophobicContact CB-CB 4.39Å; R714-W724 PolarHBondContact N-O 3.28Å; R714-W724 PolarHBondContact O-N 3.29Å
715I84.4Confident84.5Confident24 Ų2453.1 Ų53.112%0.12327%0.265CS..  trans-123.483.9178.6-53.2-173000108.2V676 D694 M696 I713V676-I715 HydrophobicContact CB-CD1 4.37Å; V676-I715 HydrophobicContact CG1-CD1 4.3Å; V676-I715 HydrophobicContact CG2-CD1 4.12Å; D694-I715 PolarHBondContact O-N 3.29Å; M696-I715 HydrophobicContact CE-CD1 3.29Å; M696-I715 HydrophobicContact CE-CG1 4.14Å; I713-I715 HydrophobicContact CG2-CD1 4.13Å; I713-I715 HydrophobicContact CG2-CG1 3.85Å
716P78.9Confident85Confident11 Ų1151.6 Ų51.67%0.07125%0.248CC..  trans-72.7145.4-179.928.9-28.9000111.2G718 E721P716-G718 VanDerWaalsContact C-N 3.29Å; P716-G718 PolarHBondContact O-N 2.91Å; P716-E721 HydrophobicContact CB-CB 3.71Å; P716-E721 HydrophobicContact CB-CG 4.38Å; P716-E721 WeakPolarHBondContact CB-OE2 3.39Å; P716-E721 HydrophobicContact CG-CB 3.34Å; P716-E721 HydrophobicContact CG-CG 4.47Å
717E69.8Low85.4Confident168 Ų16847.1 Ų47.179%0.78523%0.228SC*.SBendtrans-68.3-28178-64.2-168.2152.400113.1
718G67.8Low85.7Confident40 Ų4045 Ų4541%0.41222%0.219SC..SBendtrans-68.1131.7-173.200000113.8P716 H720 E721P716-G718 VanDerWaalsContact C-N 3.29Å; P716-G718 PolarHBondContact O-N 2.91Å; G718-H720 PolarHBondContact O-N 2.99Å; G718-E721 PolarHBondContact O-N 2.56Å
719K62.6Low85.7Confident168 Ų16844.5 Ų44.573%0.7322%0.215SC*.THydrogen-bonded Turntrans-60.9-7.5175.3-70.7-174.2-177.11760115R669R669-K719 VanDerWaalsContact NH1-C 3.34Å; R669-K719 PolarHBondContact NH1-O 2.64Å
720H64.5Low85.4Confident180 Ų18048.4 Ų48.483%0.83323%0.233SC*.THydrogen-bonded Turntrans-111.6-5.4-179.1-70.2-74.4000113.9G718G718-H720 PolarHBondContact O-N 2.99Å
721E74.6Confident85.1Confident90 Ų9049.7 Ų49.742%0.42124%0.241SC..PPolyproline II helixtrans-96.2144.1-177.9-66.9-163.9-175.500113.1R669 R714 P716 G718R669-E721 PolarHBondContact NE-O 3.48Å; R669-E721 VanDerWaalsContact NE-O 3.1Å; R669-E721 PolarHBondContact NH2-O 3.02Å; R714-E721 IonicContact CZ-OE2 2.7Å; R714-E721 IonicContact NH2-OE2 3.67Å; R714-E721 PolarHBondContact NH2-OE2 3.44Å; P716-E721 HydrophobicContact CB-CB 3.71Å; P716-E721 HydrophobicContact CB-CG 4.38Å; P716-E721 WeakPolarHBondContact CB-OE2 3.39Å; P716-E721 HydrophobicContact CG-CB 3.34Å; P716-E721 HydrophobicContact CG-CG 4.47Å; G718-E721 PolarHBondContact O-N 2.56Å
722S81.2Confident84.6Confident37 Ų3753.3 Ų53.326%0.25926%0.262SS..PPolyproline II helixtrans-82.4145.4178.1-680000111.9E665 W724E665-S722 WeakPolarHBondContact OE1-CB 3.22Å; E665-S722 PolarHBondContact OE1-OG 2.87Å; S722-W724 VanDerWaalsContact O-CD1 3.26Å
723Q86.9Confident84.3Confident7 Ų756.6 Ų56.63%0.03328%0.282CS..EExtended strand (participates in β ladder)trans-91.8139.5176.4-70.3179-400109.6E665 L666 F670 R714E665-Q723 WeakPolarHBondContact CA-O 3.31Å; L666-Q723 HydrophobicContact CB-CB 4.08Å; L666-Q723 HydrophobicContact CD1-CB 4.37Å; L666-Q723 PolarHBondContact N-O 3.12Å; F670-Q723 VanDerWaalsContact CD2-OE1 3.25Å; F670-Q723 PolarHBondContact O-NE2 3.16Å; R714-Q723 VanDerWaalsContact O-CA 3.29Å; R714-Q723 WeakPolarHBondContact O-CA 3.3Å
724W90.1Very high84.2Confident81 Ų8156.7 Ų56.731%0.30728%0.282SS..EExtended strand (participates in β ladder)trans-130.7136.7-174.5-6588.6000111.3H663 E665 I713 R714 S722H663-W724 AromaticContact CD2-CE3 3.62Å; H663-W724 AromaticContact CD2-CZ3 3.78Å; H663-W724 AromaticContact CE1-CD2 3.82Å; H663-W724 AromaticContact CE1-CE3 3.5Å; H663-W724 VanDerWaalsContact CE1-CE3 3.5Å; H663-W724 AromaticContact CE1-CG 3.96Å; H663-W724 AromaticContact NE2-CD2 3.58Å; H663-W724 AromaticContact NE2-CE3 3.02Å; H663-W724 AromaticContact NE2-CZ3 3.48Å; H663-W724 WeakPolarHBondContact NE2-CZ3 3.35Å; E665-W724 HydrophobicContact CB-CD2 4.32Å; E665-W724 HydrophobicContact CB-CE3 4Å; E665-W724 HydrophobicContact CB-CH2 3.86Å; E665-W724 HydrophobicContact CB-CZ2 4.17Å; E665-W724 HydrophobicContact CB-CZ3 3.78Å; E665-W724 HydrophobicContact CG-CZ2 4.43Å; E665-W724 VanDerWaalsContact N-CE3 3.26Å; E665-W724 VanDerWaalsContact N-CZ3 3.3Å; I713-W724 CarbonylContact C-O 3.48Å; I713-W724 WeakPolarHBondContact CA-O 3.3Å; R714-W724 HydrophobicContact CB-CB 4.39Å; R714-W724 PolarHBondContact N-O 3.28Å; R714-W724 PolarHBondContact O-N 3.29Å; S722-W724 VanDerWaalsContact O-CD1 3.26Å
725L93.7Very high84.3Confident1 Ų151.7 Ų51.71%0.00526%0.264CS..EExtended strand (participates in β ladder)trans-104.1131.3167.5172.366.1000108.6H663 S664 L666 I711 I713 V727 F739 L742 K743 L746H663-L725 WeakPolarHBondContact CA-O 3.45Å; S664-L725 PolarHBondContact N-O 3.15Å; S664-L725 VanDerWaalsContact N-O 3.11Å; S664-L725 PolarHBondContact O-N 2.99Å; L666-L725 HydrophobicContact CD1-CB 4.18Å; L666-L725 HydrophobicContact CD2-CB 3.93Å; L666-L725 HydrophobicContact CG-CB 4.1Å; I711-L725 HydrophobicContact CG2-CD1 3.9Å; I713-L725 HydrophobicContact CD1-CD1 4.28Å; I713-L725 HydrophobicContact CG1-CD1 3.77Å; L725-V727 HydrophobicContact CD1-CG2 4.23Å; L725-V727 HydrophobicContact CG-CG2 4.44Å; L725-F739 HydrophobicContact CB-CE2 4.38Å; L725-F739 HydrophobicContact CD2-CD2 3.9Å; L725-F739 HydrophobicContact CD2-CE2 3.98Å; L725-F739 HydrophobicContact CG-CD2 4.04Å; L725-F739 HydrophobicContact CG-CE2 3.96Å; L725-L742 HydrophobicContact CD2-CB 3.85Å; L725-K743 HydrophobicContact CD2-CB 4.06Å; L725-L746 HydrophobicContact CD2-CD1 4.36Å
726T94.4Very high84.7Confident11 Ų1151.9 Ų51.97%0.06727%0.267CS..EExtended strand (participates in β ladder)trans-129132.2171-41.40000109.3E661 N662 H663 I711 S712E661-T726 HydrophobicContact CG-CG2 3.83Å; E661-T726 WeakPolarHBondContact OE1-CG2 3.4Å; N662-T726 CarbonylContact O-C 3.29Å; N662-T726 WeakPolarHBondContact O-CA 3.17Å; H663-T726 HydrophobicContact CB-CG2 4.31Å; H663-T726 PolarHBondContact ND1-OG1 3.11Å; I711-T726 WeakPolarHBondContact CA-O 3.42Å; S712-T726 PolarHBondContact N-O 2.8Å; S712-T726 PolarHBondContact O-N 3.4Å; S712-T726 WeakPolarHBondContact OG-CB 3.46Å
727V96.8Very high85.3Confident0 Ų054.5 Ų54.50%028%0.279CS..EExtended strand (participates in β ladder)trans-123.5127.6172-179.30000107.9N662 L709 L710 I711 L725 C735 L738 F739 L742N662-V727 PolarHBondContact N-O 2.86Å; N662-V727 PolarHBondContact O-N 3.09Å; L709-V727 HydrophobicContact CG-CG1 4.45Å; L710-V727 CarbonylContact O-C 3.54Å; L710-V727 VanDerWaalsContact O-CA 3.31Å; L710-V727 WeakPolarHBondContact O-CA 3.28Å; I711-V727 HydrophobicContact CG1-CG2 4.31Å; I711-V727 HydrophobicContact CG2-CG2 4.36Å; L725-V727 HydrophobicContact CD1-CG2 4.23Å; L725-V727 HydrophobicContact CG-CG2 4.44Å; V727-C735 PolarHBondContact O-SG 3.32Å; V727-L738 HydrophobicContact CG1-CD2 4.37Å; V727-F739 HydrophobicContact CB-CB 4.2Å; V727-F739 HydrophobicContact CB-CD2 4.28Å; V727-F739 HydrophobicContact CG2-CB 4.07Å; V727-F739 HydrophobicContact CG2-CD2 3.96Å; V727-L742 HydrophobicContact CG2-CD1 4.25Å
728N96.1Very high86.4Confident0 Ų046.5 Ų46.50%024%0.242CC..EExtended strand (participates in β ladder)trans-118.5127.9177.6-56.788.4000109.8Q653 L656 N660 E661 L709 L710Q653-N728 PolarHBondContact NE2-OD1 2.89Å; Q653-N728 VanDerWaalsContact NE2-OD1 3.16Å; L656-N728 HydrophobicContact CB-CB 3.92Å; L656-N728 HydrophobicContact CD1-CB 4.38Å; L656-N728 PolarHBondContact O-ND2 2.61Å; N660-N728 CarbonylContact O-C 3.49Å; N660-N728 WeakPolarHBondContact O-CA 3.46Å; E661-N728 WeakPolarHBondContact CB-ND2 3.27Å; E661-N728 WeakPolarHBondContact CG-ND2 3.38Å; L709-N728 CarbonylContact C-O 3.53Å; L709-N728 WeakPolarHBondContact CA-O 3.36Å; L710-N728 HydrophobicContact CB-CB 4.2Å; L710-N728 PolarHBondContact N-O 3.38Å; L710-N728 PolarHBondContact O-N 3.4Å
729C94Very high87.7Confident0 Ų045.5 Ų45.50%023%0.226CC..EExtended strand (participates in β ladder)trans-163142.7174.1-178.70000109.7N660 L709 N731 C735N660-C729 WeakPolarHBondContact CB-O 3.19Å; N660-C729 PolarHBondContact O-N 3.15Å; L709-C729 HydrophobicContact CB-CB 4.14Å; L709-C729 HydrophobicContact CD1-CB 3.9Å; L709-C729 HydrophobicContact CG-CB 3.98Å; C729-N731 VanDerWaalsContact C-N 3.29Å; C729-N731 PolarHBondContact O-N 3.5Å; C729-N731 PolarHBondContact SG-N 3Å; C729-N731 VanDerWaalsContact SG-N 3.43Å; C729-C735 HydrophobicContact CB-CB 3.9Å
730E90.3Very high89.1Confident81 Ų8143 Ų4338%0.37922%0.215SC..SBendtrans-63-35.3175.2-65.5-175.617700112.5L656 Q707 V732L656-E730 HydrophobicContact CD2-CG 3.5Å; L656-E730 VanDerWaalsContact CD2-CG 3.5Å; Q707-E730 HydrophobicContact CB-CB 4.38Å; Q707-E730 HydrophobicContact CG-CB 4.38Å; Q707-E730 PolarHBondContact NE2-OE2 3.46Å; E730-V732 PolarHBondContact O-N 2.81Å
731N89.1Confident90.4Very high28 Ų2837.6 Ų37.615%0.1519%0.19CC..  trans-76.695.4173.5-171.2-35.3000109.6D610 T702 C729 V733 I734 C735D610-N731 VanDerWaalsContact CB-ND2 3.28Å; D610-N731 WeakPolarHBondContact CB-ND2 3.15Å; D610-N731 PolarHBondContact OD2-ND2 2.89Å; T702-N731 HydrophobicContact CG2-CB 4.44Å; C729-N731 VanDerWaalsContact C-N 3.29Å; C729-N731 PolarHBondContact O-N 3.5Å; C729-N731 PolarHBondContact SG-N 3Å; C729-N731 VanDerWaalsContact SG-N 3.43Å; N731-V733 PolarHBondContact O-N 3.49Å; N731-V733 WeakPolarHBondContact OD1-CB 3.05Å; N731-V733 PolarHBondContact OD1-N 3.39Å; N731-V733 VanDerWaalsContact OD1-N 3.14Å; N731-I734 HydrophobicContact CB-CB 4.15Å; N731-I734 HydrophobicContact CB-CD1 4.39Å; N731-I734 HydrophobicContact CB-CG1 4.39Å; N731-I734 PolarHBondContact O-N 3.24Å; N731-I734 PolarHBondContact OD1-N 2.87Å; N731-C735 WeakPolarHBondContact O-CB 3.48Å; N731-C735 PolarHBondContact O-N 3.35Å
732V86.7Confident91.3Very high75 Ų7533.3 Ų33.346%0.45517%0.17SC..Hα-helixtrans-56.3-33.5-177.2-175.10000112.5E730 S736E730-V732 PolarHBondContact O-N 2.81Å; V732-S736 VanDerWaalsContact O-CB 3.31Å; V732-S736 WeakPolarHBondContact O-CB 3.49Å; V732-S736 PolarHBondContact O-N 3.42Å
733V87.2Confident91.7Very high81 Ų8133.8 Ų33.849%0.49117%0.168SC..Hα-helixtrans-68.6-51.4179.9-179.50000110.4N731 C735 S736 M737N731-V733 PolarHBondContact O-N 3.49Å; N731-V733 WeakPolarHBondContact OD1-CB 3.05Å; N731-V733 PolarHBondContact OD1-N 3.39Å; N731-V733 VanDerWaalsContact OD1-N 3.14Å; V733-C735 VanDerWaalsContact C-N 3.31Å; V733-C735 PolarHBondContact O-N 3.32Å; V733-S736 PolarHBondContact O-N 3.11Å; V733-M737 HydrophobicContact CG1-CG 4.46Å; V733-M737 VanDerWaalsContact O-CB 3.31Å; V733-M737 WeakPolarHBondContact O-CB 3.41Å; V733-M737 VanDerWaalsContact O-CG 3.3Å; V733-M737 WeakPolarHBondContact O-CG 3.07Å; V733-M737 PolarHBondContact O-N 3Å
734I89.9Confident91.8Very high2 Ų237 Ų371%0.0120%0.195CC..Hα-helixtrans-59.8-46.1175.2-71.3-176.5000109.8D610 V635 L639 T702 L709 N731 S736 M737 L738D610-I734 HydrophobicContact CB-CD1 3.69Å; D610-I734 HydrophobicContact CB-CG1 4.34Å; D610-I734 WeakPolarHBondContact OD1-CD1 3.33Å; V635-I734 HydrophobicContact CG1-CB 3.96Å; V635-I734 HydrophobicContact CG1-CG1 4.06Å; V635-I734 HydrophobicContact CG1-CG2 3.57Å; L639-I734 HydrophobicContact CD2-CG2 4.14Å; T702-I734 HydrophobicContact CG2-CD1 3.65Å; T702-I734 HydrophobicContact CG2-CG2 4.43Å; L709-I734 HydrophobicContact CD1-CG2 3.64Å; N731-I734 HydrophobicContact CB-CB 4.15Å; N731-I734 HydrophobicContact CB-CD1 4.39Å; N731-I734 HydrophobicContact CB-CG1 4.39Å; N731-I734 PolarHBondContact O-N 3.24Å; N731-I734 PolarHBondContact OD1-N 2.87Å; I734-S736 PolarHBondContact O-N 3.24Å; I734-M737 PolarHBondContact O-N 2.95Å; I734-L738 WeakPolarHBondContact O-CB 3.39Å; I734-L738 PolarHBondContact O-N 3.45Å
735C92.3Very high91.7Very high1 Ų137 Ų371%0.00720%0.197CC..Hα-helixtrans-55.3-53.9179.6-165.10000111.7N662 V727 C729 N731 V733 F739N662-C735 PolarHBondContact ND2-SG 2.91Å; V727-C735 PolarHBondContact O-SG 3.32Å; C729-C735 HydrophobicContact CB-CB 3.9Å; N731-C735 WeakPolarHBondContact O-CB 3.48Å; N731-C735 PolarHBondContact O-N 3.35Å; V733-C735 VanDerWaalsContact C-N 3.31Å; V733-C735 PolarHBondContact O-N 3.32Å; C735-F739 WeakPolarHBondContact O-CB 3.43Å; C735-F739 PolarHBondContact O-N 3.23Å
736S91Very high91.3Very high27 Ų2737.2 Ų37.219%0.18920%0.199CC..Hα-helixtrans-70.7-39.2-175.5-169.20000112.4V732 V733 I734 K740V732-S736 VanDerWaalsContact O-CB 3.31Å; V732-S736 WeakPolarHBondContact O-CB 3.49Å; V732-S736 PolarHBondContact O-N 3.42Å; V733-S736 PolarHBondContact O-N 3.11Å; I734-S736 PolarHBondContact O-N 3.24Å; S736-K740 VanDerWaalsContact O-CG 3.3Å; S736-K740 WeakPolarHBondContact O-CG 3.39Å; S736-K740 PolarHBondContact O-N 3.15Å
737M91.7Very high90.7Very high66 Ų6640.3 Ų40.333%0.32522%0.215SC..Hα-helixtrans-68.9-46.6178.9-74.3-6610700112.1V635 V733 I734 F739 K740 Q741V635-M737 HydrophobicContact CB-CB 4.43Å; V635-M737 HydrophobicContact CG2-CB 3.71Å; V635-M737 HydrophobicContact CG2-CG 4.43Å; V733-M737 HydrophobicContact CG1-CG 4.46Å; V733-M737 VanDerWaalsContact O-CB 3.31Å; V733-M737 WeakPolarHBondContact O-CB 3.41Å; V733-M737 VanDerWaalsContact O-CG 3.3Å; V733-M737 WeakPolarHBondContact O-CG 3.07Å; V733-M737 PolarHBondContact O-N 3Å; I734-M737 PolarHBondContact O-N 2.95Å; M737-F739 VanDerWaalsContact C-N 3.31Å; M737-F739 PolarHBondContact O-N 3.25Å; M737-K740 HydrophobicContact CE-CD 3.92Å; M737-K740 PolarHBondContact O-N 3.47Å; M737-Q741 WeakPolarHBondContact O-CG 3.46Å; M737-Q741 PolarHBondContact O-N 2.99Å
738L94.1Very high90.4Very high1 Ų142.4 Ų42.41%0.00523%0.226CC..Hα-helixtrans-62.5-43.3176.9-176.766.4000110.7V635 L639 A684 L709 I711 V727 I734 K740 Q741 L742V635-L738 HydrophobicContact CG1-CB 4.05Å; L639-L738 HydrophobicContact CD1-CD2 3.82Å; A684-L738 HydrophobicContact CB-CD1 4.05Å; L709-L738 HydrophobicContact CD1-CD2 3.67Å; L709-L738 HydrophobicContact CD2-CD2 3.69Å; L709-L738 HydrophobicContact CG-CD2 4.32Å; I711-L738 HydrophobicContact CD1-CD2 4.11Å; V727-L738 HydrophobicContact CG1-CD2 4.37Å; I734-L738 WeakPolarHBondContact O-CB 3.39Å; I734-L738 PolarHBondContact O-N 3.45Å; L738-K740 VanDerWaalsContact C-N 3.34Å; L738-K740 PolarHBondContact O-N 2.9Å; L738-Q741 PolarHBondContact O-N 3.2Å; L738-L742 HydrophobicContact CD1-CD1 4.23Å; L738-L742 HydrophobicContact CD1-CG 4.24Å; L738-L742 HydrophobicContact CD2-CD1 4.37Å; L738-L742 HydrophobicContact CG-CD1 3.87Å; L738-L742 HydrophobicContact CG-CG 4.28Å; L738-L742 WeakPolarHBondContact O-CB 3.34Å; L738-L742 WeakPolarHBondContact O-CG 3.5Å; L738-L742 PolarHBondContact O-N 3.14Å
739F94.4Very high90.1Very high18 Ų1844.6 Ų44.68%0.07924%0.237CC..Hα-helixtrans-55.1-48.3174.8174.8-95.9000112.2N662 S664 L725 V727 C735 M737 Q741 L742 K743N662-F739 HydrophobicContact CB-CB 3.84Å; N662-F739 HydrophobicContact CB-CD1 3.89Å; N662-F739 HydrophobicContact CB-CD2 3.63Å; N662-F739 HydrophobicContact CB-CE1 4.32Å; N662-F739 HydrophobicContact CB-CE2 4.08Å; N662-F739 HydrophobicContact CB-CG 3.5Å; N662-F739 HydrophobicContact CB-CZ 4.38Å; N662-F739 WeakPolarHBondContact O-CD2 3.36Å; N662-F739 WeakPolarHBondContact O-CE2 3.44Å; S664-F739 VanDerWaalsContact CB-CZ 3.46Å; L725-F739 HydrophobicContact CB-CE2 4.38Å; L725-F739 HydrophobicContact CD2-CD2 3.9Å; L725-F739 HydrophobicContact CD2-CE2 3.98Å; L725-F739 HydrophobicContact CG-CD2 4.04Å; L725-F739 HydrophobicContact CG-CE2 3.96Å; V727-F739 HydrophobicContact CB-CB 4.2Å; V727-F739 HydrophobicContact CB-CD2 4.28Å; V727-F739 HydrophobicContact CG2-CB 4.07Å; V727-F739 HydrophobicContact CG2-CD2 3.96Å; C735-F739 WeakPolarHBondContact O-CB 3.43Å; C735-F739 PolarHBondContact O-N 3.23Å; M737-F739 VanDerWaalsContact C-N 3.31Å; M737-F739 PolarHBondContact O-N 3.25Å; F739-Q741 PolarHBondContact O-N 3.33Å; F739-L742 PolarHBondContact O-N 2.88Å; F739-K743 HydrophobicContact CE1-CD 4.16Å; F739-K743 HydrophobicContact CZ-CD 4.27Å; F739-K743 WeakPolarHBondContact O-CB 3.48Å; F739-K743 PolarHBondContact O-N 3.12Å
740K92.7Very high89.8Confident117 Ų11747.1 Ų47.151%0.50925%0.251SS..Hα-helixtrans-62.7-41.6177.5-74.6173.2-175.4176.50112.4S736 M737 L738 A744S736-K740 VanDerWaalsContact O-CG 3.3Å; S736-K740 WeakPolarHBondContact O-CG 3.39Å; S736-K740 PolarHBondContact O-N 3.15Å; M737-K740 HydrophobicContact CE-CD 3.92Å; M737-K740 PolarHBondContact O-N 3.47Å; L738-K740 VanDerWaalsContact C-N 3.34Å; L738-K740 PolarHBondContact O-N 2.9Å; K740-A744 VanDerWaalsContact O-CB 3.25Å; K740-A744 WeakPolarHBondContact O-CB 3.18Å; K740-A744 PolarHBondContact O-N 3.05Å
741Q91.9Very high89.8Confident66 Ų6645.1 Ų45.131%0.30824%0.243SC..Hα-helixtrans-65-48.1178.9-72.9176.5-1.600111.4M683 M737 L738 F739 A744 F745M683-Q741 HydrophobicContact CE-CB 3.87Å; M683-Q741 VanDerWaalsContact CE-O 3.31Å; M683-Q741 WeakPolarHBondContact CE-O 3.44Å; M737-Q741 WeakPolarHBondContact O-CG 3.46Å; M737-Q741 PolarHBondContact O-N 2.99Å; L738-Q741 PolarHBondContact O-N 3.2Å; F739-Q741 PolarHBondContact O-N 3.33Å; Q741-A744 PolarHBondContact O-N 3.15Å; Q741-F745 PolarHBondContact O-N 2.91Å; Q741-F745 VanDerWaalsContact O-N 3.13Å
742L92.3Very high89.9Confident0 Ų046.1 Ų46.10%025%0.249CC..Hα-helixtrans-63.3-45.7176.9-71.2173.5000111.2V680 M683 I711 L725 V727 L738 F739 A744 F745 L746V680-L742 HydrophobicContact CG1-CD2 4.43Å; V680-L742 HydrophobicContact CG2-CD2 4.34Å; M683-L742 HydrophobicContact CB-CD2 4.15Å; M683-L742 HydrophobicContact SD-CD2 4.17Å; I711-L742 HydrophobicContact CD1-CD1 3.8Å; I711-L742 HydrophobicContact CG1-CD1 4.36Å; I711-L742 HydrophobicContact CG2-CD1 4.17Å; L725-L742 HydrophobicContact CD2-CB 3.85Å; V727-L742 HydrophobicContact CG2-CD1 4.25Å; L738-L742 HydrophobicContact CD1-CD1 4.23Å; L738-L742 HydrophobicContact CD1-CG 4.24Å; L738-L742 HydrophobicContact CD2-CD1 4.37Å; L738-L742 HydrophobicContact CG-CD1 3.87Å; L738-L742 HydrophobicContact CG-CG 4.28Å; L738-L742 WeakPolarHBondContact O-CB 3.34Å; L738-L742 WeakPolarHBondContact O-CG 3.5Å; L738-L742 PolarHBondContact O-N 3.14Å; F739-L742 PolarHBondContact O-N 2.88Å; L742-A744 VanDerWaalsContact C-N 3.34Å; L742-A744 PolarHBondContact O-N 3.49Å; L742-F745 PolarHBondContact O-N 2.93Å; L742-L746 WeakPolarHBondContact O-CB 3.47Å; L742-L746 VanDerWaalsContact O-CG 3.23Å; L742-L746 WeakPolarHBondContact O-CG 3.47Å; L742-L746 PolarHBondContact O-N 3.48Å
743K90.4Very high90.1Very high47 Ų4744.2 Ų44.220%0.20424%0.235CC..Hα-helixtrans-58.2-46.2177.4-172.6175.4-168.6-64.60111.5S664 L666 L725 F739 F745 L746 D747S664-K743 VanDerWaalsContact OG-CE 3.27Å; S664-K743 WeakPolarHBondContact OG-CE 3.09Å; L666-K743 HydrophobicContact CD2-CG 4.36Å; L725-K743 HydrophobicContact CD2-CB 4.06Å; F739-K743 HydrophobicContact CE1-CD 4.16Å; F739-K743 HydrophobicContact CZ-CD 4.27Å; F739-K743 WeakPolarHBondContact O-CB 3.48Å; F739-K743 PolarHBondContact O-N 3.12Å; K743-F745 VanDerWaalsContact C-N 3.26Å; K743-F745 PolarHBondContact O-N 3.41Å; K743-L746 PolarHBondContact O-N 3.29Å; K743-D747 WeakPolarHBondContact CG-OD2 3.24Å; K743-D747 IonicContact NZ-OD2 3.23Å; K743-D747 PolarHBondContact NZ-OD2 3.37Å; K743-D747 VanDerWaalsContact O-CB 3.3Å; K743-D747 WeakPolarHBondContact O-CB 3.4Å; K743-D747 PolarHBondContact O-N 3.22Å
744A88.9Confident90.3Very high73 Ų7341.6 Ų41.660%0.60322%0.217SC*.Hα-helixtrans-70.6-16.9-18000000114.8K740 Q741 L742K740-A744 VanDerWaalsContact O-CB 3.25Å; K740-A744 WeakPolarHBondContact O-CB 3.18Å; K740-A744 PolarHBondContact O-N 3.05Å; Q741-A744 PolarHBondContact O-N 3.15Å; L742-A744 VanDerWaalsContact C-N 3.34Å; L742-A744 PolarHBondContact O-N 3.49Å
745F87.1Confident90.3Very high81 Ų8144.6 Ų44.636%0.35523%0.233SC..Hα-helixtrans-89-34.8172165.8-95.4000112G679 M683 Q741 L742 K743G679-F745 VanDerWaalsContact CA-CE1 3.49Å; M683-F745 HydrophobicContact CE-CB 3.89Å; M683-F745 HydrophobicContact CG-CG 4.49Å; M683-F745 HydrophobicContact SD-CB 3.18Å; M683-F745 WeakPolarHBondContact SD-CB 3.12Å; M683-F745 HydrophobicContact SD-CD1 3.69Å; M683-F745 HydrophobicContact SD-CD2 3.87Å; M683-F745 HydrophobicContact SD-CG 3.27Å; M683-F745 WeakPolarHBondContact SD-CG 3.08Å; Q741-F745 PolarHBondContact O-N 2.91Å; Q741-F745 VanDerWaalsContact O-N 3.13Å; L742-F745 PolarHBondContact O-N 2.93Å; K743-F745 VanDerWaalsContact C-N 3.26Å; K743-F745 PolarHBondContact O-N 3.41Å
746L85.1Confident90.1Very high7 Ų748.3 Ų48.34%0.03725%0.252CS..Hα-helixtrans-71.1-59176.3-65.3172.6000108.5L666 F670 V676 I713 L725 L742 K743L666-L746 HydrophobicContact CD1-CD1 3.91Å; L666-L746 HydrophobicContact CD2-CB 3.82Å; L666-L746 HydrophobicContact CD2-CD1 3.94Å; F670-L746 WeakPolarHBondContact CE1-O 3.28Å; F670-L746 HydrophobicContact CE2-CB 4.04Å; F670-L746 HydrophobicContact CZ-CB 4.14Å; F670-L746 WeakPolarHBondContact CZ-O 3.33Å; V676-L746 HydrophobicContact CG1-CD2 3.8Å; V676-L746 HydrophobicContact CG2-CD2 4.4Å; I713-L746 HydrophobicContact CD1-CD1 4.11Å; L725-L746 HydrophobicContact CD2-CD1 4.36Å; L742-L746 WeakPolarHBondContact O-CB 3.47Å; L742-L746 VanDerWaalsContact O-CG 3.23Å; L742-L746 WeakPolarHBondContact O-CG 3.47Å; L742-L746 PolarHBondContact O-N 3.48Å; K743-L746 PolarHBondContact O-N 3.29Å
747D82Confident90.1Very high76 Ų7650.2 Ų50.241%0.40626%0.257SS..  trans-54.20172.8-66.2-17.9000112.5S667 P668 K743S667-D747 PolarHBondContact N-OD1 3.28Å; S667-D747 WeakPolarHBondContact O-CA 3.36Å; S667-D747 WeakPolarHBondContact O-CB 3.44Å; S667-D747 VanDerWaalsContact O-OD1 3.13Å; P668-D747 WeakPolarHBondContact CD-O 3.47Å; K743-D747 WeakPolarHBondContact CG-OD2 3.24Å; K743-D747 IonicContact NZ-OD2 3.23Å; K743-D747 PolarHBondContact NZ-OD2 3.37Å; K743-D747 VanDerWaalsContact O-CB 3.3Å; K743-D747 WeakPolarHBondContact O-CB 3.4Å; K743-D747 PolarHBondContact O-N 3.22Å

Retrieved 747 of 747 residues in 338.3 ms (Link to these results)

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