A0A093JS35_STRCA Loading...

Transmembrane protein 45B

AlphaFold DB , UniProt , Accession A0A093JS35, Species STRCA (Struthio camelus australis), Gene n/a, Length 275 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M55.4Low85.7Confident89 Ų8951.5 Ų51.544%0.43829%0.287SS..  0134.20-69.2-178.1173.100109.8N3 H95M1-N3 VanDerWaalsContact C-N 3.3Å; M1-N3 PolarHBondContact O-N 3.24Å; M1-H95 PolarHBondContact N-CE1 2.93Å
2G72.6Confident86.6Confident42 Ų4250.4 Ų50.443%0.43329%0.285SS..  trans-75.978.6172.900000111.1Y202G2-Y202 VanDerWaalsContact C-OH 3.25Å; G2-Y202 VanDerWaalsContact CA-OH 3.29Å; G2-Y202 WeakPolarHBondContact CA-OH 3.48Å; G2-Y202 WeakPolarHBondContact O-CE1 3.39Å; G2-Y202 VanDerWaalsContact O-CZ 3.28Å; G2-Y202 PolarHBondContact O-OH 2.71Å
3N84.9Confident87.2Confident58 Ų5851.3 Ų51.331%0.3128%0.284SS..SBendtrans-152.3170.1172.764.143.8000110.3M1 K5 G6 H7M1-N3 VanDerWaalsContact C-N 3.3Å; M1-N3 PolarHBondContact O-N 3.24Å; N3-K5 PolarHBondContact O-N 2.96Å; N3-K5 PolarHBondContact OD1-N 3.16Å; N3-G6 PolarHBondContact O-N 3.21Å; N3-G6 PolarHBondContact OD1-N 2.73Å; N3-H7 PolarHBondContact O-N 2.93Å; N3-H7 PolarHBondContact O-ND1 3.21Å
4F89Confident87.9Confident47 Ų4749.8 Ų49.821%0.20627%0.273CS..Hα-helixtrans-54.5-48-178.8-175.5-94.8000112.9G6 H7 A8 W195 G198 F199 Y202 P204F4-G6 VanDerWaalsContact C-N 3.29Å; F4-G6 PolarHBondContact O-N 3.3Å; F4-H7 PolarHBondContact O-N 3.47Å; F4-H7 VanDerWaalsContact O-N 3.07Å; F4-A8 HydrophobicContact CD1-CB 4.15Å; F4-A8 HydrophobicContact CE1-CB 3.82Å; F4-A8 HydrophobicContact CZ-CB 4.3Å; F4-A8 WeakPolarHBondContact O-CB 3.44Å; F4-A8 PolarHBondContact O-N 3.26Å; F4-W195 HydrophobicContact CE1-CZ3 4.03Å; F4-W195 AromaticContact CZ-CE3 3.92Å; F4-W195 HydrophobicContact CZ-CE3 3.92Å; F4-W195 AromaticContact CZ-CZ3 3.6Å; F4-W195 HydrophobicContact CZ-CZ3 3.6Å; F4-G198 WeakPolarHBondContact CD2-O 3.49Å; F4-F199 AromaticContact CE2-CD1 3.72Å; F4-F199 HydrophobicContact CE2-CD1 3.72Å; F4-F199 AromaticContact CE2-CE1 3.77Å; F4-F199 HydrophobicContact CE2-CE1 3.77Å; F4-F199 HydrophobicContact CE2-CG 4.19Å; F4-F199 HydrophobicContact CE2-CZ 4.3Å; F4-F199 HydrophobicContact CZ-CD1 4.3Å; F4-F199 AromaticContact CZ-CE1 3.87Å; F4-F199 HydrophobicContact CZ-CE1 3.87Å; F4-F199 HydrophobicContact CZ-CZ 4.13Å; F4-Y202 WeakPolarHBondContact CD2-O 3.13Å; F4-P204 HydrophobicContact CD2-CB 4.49Å; F4-P204 HydrophobicContact CD2-CG 4.42Å; F4-P204 HydrophobicContact CE2-CB 4.48Å; F4-P204 HydrophobicContact CE2-CG 4.04Å; F4-P204 HydrophobicContact CZ-CG 4.31Å
5K88.8Confident88.5Confident167 Ų16749.3 Ų49.373%0.72627%0.27SS*.Hα-helixtrans-62.2-38-179.1-66.8-177.6-179.3177.90112N3 H7 A8 L9N3-K5 PolarHBondContact O-N 2.96Å; N3-K5 PolarHBondContact OD1-N 3.16Å; K5-H7 PolarHBondContact O-N 3.46Å; K5-A8 PolarHBondContact O-N 3.4Å; K5-L9 WeakPolarHBondContact O-CB 3.5Å; K5-L9 PolarHBondContact O-N 3.07Å
6G86Confident89Confident27 Ų2753.4 Ų53.428%0.27829%0.29SS..Hα-helixtrans-63.2-19.2176.700000113.9N3 F4 P10N3-G6 PolarHBondContact O-N 3.21Å; N3-G6 PolarHBondContact OD1-N 2.73Å; F4-G6 VanDerWaalsContact C-N 3.29Å; F4-G6 PolarHBondContact O-N 3.3Å; G6-P10 WeakPolarHBondContact O-CD 3.26Å; G6-P10 WeakPolarHBondContact O-CG 3.49Å
7H92.3Very high89.5Confident9 Ų952.5 Ų52.54%0.04228%0.283CS..Hα-helixtrans-101.7-44.3173.7-63.281.9000112N3 F4 K5 L9 P10 G11 H153 F194 I197 Y202N3-H7 PolarHBondContact O-N 2.93Å; N3-H7 PolarHBondContact O-ND1 3.21Å; F4-H7 PolarHBondContact O-N 3.47Å; F4-H7 VanDerWaalsContact O-N 3.07Å; K5-H7 PolarHBondContact O-N 3.46Å; H7-L9 VanDerWaalsContact C-N 3.33Å; H7-L9 PolarHBondContact O-N 2.94Å; H7-P10 WeakPolarHBondContact O-CD 3.37Å; H7-P10 WeakPolarHBondContact O-CG 3.28Å; H7-G11 PolarHBondContact O-N 3.46Å; H7-H153 AromaticContact NE2-CE1 3.96Å; H7-H153 AromaticContact NE2-NE2 3.51Å; H7-F194 WeakPolarHBondContact CB-O 3.4Å; H7-I197 WeakPolarHBondContact CD2-CG2 3.45Å; H7-I197 WeakPolarHBondContact NE2-CG2 3.39Å; H7-Y202 AromaticContact CE1-CE2 3.44Å; H7-Y202 VanDerWaalsContact CE1-CE2 3.44Å; H7-Y202 WeakPolarHBondContact CE1-CE2 3.35Å; H7-Y202 AromaticContact ND1-CD2 3.98Å; H7-Y202 AromaticContact ND1-CE2 3.81Å
8A93.9Very high89.9Confident8 Ų849.6 Ų49.67%0.06627%0.267CS..Hα-helixtrans-62.8-37.4-179.400000112.8F4 K5 S12 W195F4-A8 HydrophobicContact CD1-CB 4.15Å; F4-A8 HydrophobicContact CE1-CB 3.82Å; F4-A8 HydrophobicContact CZ-CB 4.3Å; F4-A8 WeakPolarHBondContact O-CB 3.44Å; F4-A8 PolarHBondContact O-N 3.26Å; K5-A8 PolarHBondContact O-N 3.4Å; A8-S12 WeakPolarHBondContact O-CB 3.47Å; A8-S12 PolarHBondContact O-N 3.16Å; A8-S12 PolarHBondContact O-OG 3.18Å; A8-W195 HydrophobicContact CB-CD2 4.16Å; A8-W195 HydrophobicContact CB-CE3 4.18Å; A8-W195 HydrophobicContact CB-CH2 3.93Å; A8-W195 HydrophobicContact CB-CZ2 3.87Å; A8-W195 HydrophobicContact CB-CZ3 4.09Å; A8-W195 PolarHBondContact O-NE1 3.29Å
9L91.9Very high90.3Very high98 Ų9850.7 Ų50.751%0.51327%0.273SS..Hα-helixtrans-64.2-59.6179.4-175.669.1000112.5K5 H7 G11 S12 F13K5-L9 WeakPolarHBondContact O-CB 3.5Å; K5-L9 PolarHBondContact O-N 3.07Å; H7-L9 VanDerWaalsContact C-N 3.33Å; H7-L9 PolarHBondContact O-N 2.94Å; L9-G11 VanDerWaalsContact C-N 3.28Å; L9-G11 PolarHBondContact O-N 2.79Å; L9-S12 PolarHBondContact O-N 3.4Å; L9-F13 HydrophobicContact CD1-CD2 4.4Å; L9-F13 HydrophobicContact CD1-CE2 3.75Å; L9-F13 HydrophobicContact CG-CD2 4.28Å; L9-F13 HydrophobicContact CG-CE2 3.87Å; L9-F13 VanDerWaalsContact O-CD2 3.25Å; L9-F13 WeakPolarHBondContact O-CD2 3.15Å; L9-F13 PolarHBondContact O-N 2.99Å
10P92.1Very high90.7Very high22 Ų2253.6 Ų53.614%0.14328%0.28CS..Hα-helixtrans-60.7-38.6175.823.2-32.5000111.7G6 H7 S12 F13 F14 F194G6-P10 WeakPolarHBondContact O-CD 3.26Å; G6-P10 WeakPolarHBondContact O-CG 3.49Å; H7-P10 WeakPolarHBondContact O-CD 3.37Å; H7-P10 WeakPolarHBondContact O-CG 3.28Å; P10-S12 VanDerWaalsContact C-N 3.28Å; P10-S12 PolarHBondContact O-N 3.19Å; P10-F13 PolarHBondContact O-N 2.69Å; P10-F13 VanDerWaalsContact O-N 3.12Å; P10-F14 HydrophobicContact CB-CE2 4.33Å; P10-F14 WeakPolarHBondContact O-CD2 3.49Å; P10-F14 PolarHBondContact O-N 2.98Å; P10-F194 HydrophobicContact CG-CD1 4.21Å; P10-F194 HydrophobicContact CG-CE1 4.24Å
11G95.8Very high91Very high0 Ų051.8 Ų51.80%027%0.27CS..Hα-helixtrans-56.1-41.2175.400000113.3H7 L9 L15 G191 F194H7-G11 PolarHBondContact O-N 3.46Å; L9-G11 VanDerWaalsContact C-N 3.28Å; L9-G11 PolarHBondContact O-N 2.79Å; G11-L15 WeakPolarHBondContact O-CB 3.43Å; G11-L15 WeakPolarHBondContact O-CG 3.38Å; G11-L15 PolarHBondContact O-N 3.44Å; G11-G191 VanDerWaalsContact CA-O 3.31Å; G11-G191 WeakPolarHBondContact CA-O 3.46Å; G11-G191 VanDerWaalsContact O-CA 3.28Å; G11-G191 WeakPolarHBondContact O-CA 3.35Å; G11-F194 VanDerWaalsContact CA-CB 3.42Å
12S96.6Very high93Very high38 Ų3847.6 Ų47.627%0.26625%0.249SC..Hα-helixtrans-66.7-40.8176.5-58.60000112.4A8 L9 P10 L15 L16 W195A8-S12 WeakPolarHBondContact O-CB 3.47Å; A8-S12 PolarHBondContact O-N 3.16Å; A8-S12 PolarHBondContact O-OG 3.18Å; L9-S12 PolarHBondContact O-N 3.4Å; P10-S12 VanDerWaalsContact C-N 3.28Å; P10-S12 PolarHBondContact O-N 3.19Å; S12-L15 PolarHBondContact O-N 3.02Å; S12-L16 WeakPolarHBondContact O-CB 3.38Å; S12-L16 VanDerWaalsContact O-CG 3.25Å; S12-L16 WeakPolarHBondContact O-CG 3.43Å; S12-L16 PolarHBondContact O-N 2.79Å; S12-W195 WeakPolarHBondContact OG-CZ2 3.39Å; S12-W195 PolarHBondContact OG-NE1 3.31Å
13F94.2Very high94.1Very high62 Ų6248.1 Ų48.127%0.27224%0.244SC..Hα-helixtrans-61-49.5175.6-78.5-67.5000111.9L9 P10 L15 L16 F17 F60L9-F13 HydrophobicContact CD1-CD2 4.4Å; L9-F13 HydrophobicContact CD1-CE2 3.75Å; L9-F13 HydrophobicContact CG-CD2 4.28Å; L9-F13 HydrophobicContact CG-CE2 3.87Å; L9-F13 VanDerWaalsContact O-CD2 3.25Å; L9-F13 WeakPolarHBondContact O-CD2 3.15Å; L9-F13 PolarHBondContact O-N 2.99Å; P10-F13 PolarHBondContact O-N 2.69Å; P10-F13 VanDerWaalsContact O-N 3.12Å; F13-L15 VanDerWaalsContact C-N 3.32Å; F13-L15 PolarHBondContact O-N 3.5Å; F13-L16 PolarHBondContact O-N 3.31Å; F13-F17 WeakPolarHBondContact O-CD2 3.38Å; F13-F17 PolarHBondContact O-N 2.99Å; F13-F60 AromaticContact CE1-CD1 3.46Å; F13-F60 HydrophobicContact CE1-CD1 3.46Å; F13-F60 VanDerWaalsContact CE1-CD1 3.46Å; F13-F60 AromaticContact CE1-CD2 4Å; F13-F60 HydrophobicContact CE1-CD2 4Å; F13-F60 AromaticContact CE1-CE1 3.41Å; F13-F60 HydrophobicContact CE1-CE1 3.41Å; F13-F60 VanDerWaalsContact CE1-CE1 3.41Å; F13-F60 AromaticContact CE1-CE2 3.94Å; F13-F60 HydrophobicContact CE1-CE2 3.94Å; F13-F60 AromaticContact CE1-CG 3.78Å; F13-F60 HydrophobicContact CE1-CG 3.78Å; F13-F60 AromaticContact CE1-CZ 3.66Å; F13-F60 HydrophobicContact CE1-CZ 3.66Å; F13-F60 AromaticContact CZ-CD1 3.49Å; F13-F60 HydrophobicContact CZ-CD1 3.49Å; F13-F60 VanDerWaalsContact CZ-CD1 3.49Å; F13-F60 AromaticContact CZ-CE1 3.54Å; F13-F60 HydrophobicContact CZ-CE1 3.54Å; F13-F60 HydrophobicContact CZ-CG 4.2Å; F13-F60 HydrophobicContact CZ-CZ 4.24Å
14F96.7Very high94.6Very high30 Ų3045.5 Ų45.513%0.13223%0.229CC..Hα-helixtrans-62.1-39.6177.7-71.6-63.1000112.1P10 G18 E134 C187 Q190 F194P10-F14 HydrophobicContact CB-CE2 4.33Å; P10-F14 WeakPolarHBondContact O-CD2 3.49Å; P10-F14 PolarHBondContact O-N 2.98Å; F14-G18 PolarHBondContact O-N 3.15Å; F14-E134 WeakPolarHBondContact CE2-OE1 3.24Å; F14-E134 WeakPolarHBondContact CZ-OE1 3.36Å; F14-C187 PolarHBondContact O-SG 2.68Å; F14-Q190 HydrophobicContact CD2-CG 4.16Å; F14-Q190 HydrophobicContact CE2-CG 4.49Å; F14-Q190 VanDerWaalsContact CE2-NE2 3.29Å; F14-Q190 HydrophobicContact CG-CG 4.2Å; F14-F194 AromaticContact CD2-CD2 3.89Å; F14-F194 HydrophobicContact CD2-CD2 3.89Å; F14-F194 AromaticContact CD2-CE2 3.76Å; F14-F194 HydrophobicContact CD2-CE2 3.76Å; F14-F194 HydrophobicContact CE2-CD2 4.25Å; F14-F194 AromaticContact CE2-CE2 3.65Å; F14-F194 HydrophobicContact CE2-CE2 3.65Å; F14-F194 HydrophobicContact CE2-CZ 4.47Å
15L97.6Very high94.9Very high43 Ų4343.3 Ų43.323%0.22522%0.22CC..Hα-helixtrans-61.9-46.1173.4-78.6174.2000112.5G11 S12 F13 F17 G18 L19 I188G11-L15 WeakPolarHBondContact O-CB 3.43Å; G11-L15 WeakPolarHBondContact O-CG 3.38Å; G11-L15 PolarHBondContact O-N 3.44Å; S12-L15 PolarHBondContact O-N 3.02Å; F13-L15 VanDerWaalsContact C-N 3.32Å; F13-L15 PolarHBondContact O-N 3.5Å; L15-F17 PolarHBondContact O-N 3.34Å; L15-G18 PolarHBondContact O-N 3.1Å; L15-L19 VanDerWaalsContact O-CB 3.29Å; L15-L19 WeakPolarHBondContact O-CB 3.31Å; L15-L19 WeakPolarHBondContact O-CG 3.48Å; L15-L19 PolarHBondContact O-N 2.97Å; L15-I188 HydrophobicContact CD2-CG2 4.05Å
16L97.1Very high95.1Very high114 Ų11435.3 Ų35.360%0.59719%0.185SC*.Hα-helixtrans-61.1-46.9178.9-72.6171.1000111.5S12 F13 W20S12-L16 WeakPolarHBondContact O-CB 3.38Å; S12-L16 VanDerWaalsContact O-CG 3.25Å; S12-L16 WeakPolarHBondContact O-CG 3.43Å; S12-L16 PolarHBondContact O-N 2.79Å; F13-L16 PolarHBondContact O-N 3.31Å; L16-W20 WeakPolarHBondContact O-CB 3.49Å; L16-W20 PolarHBondContact O-N 3.24Å
17F96.3Very high95.4Very high38 Ų3835.8 Ų35.817%0.16718%0.181CC..Hα-helixtrans-64.4-43.8175.7-86.9-78.4000112.2F13 L15 W20 W21 I56 K57F13-F17 WeakPolarHBondContact O-CD2 3.38Å; F13-F17 PolarHBondContact O-N 2.99Å; L15-F17 PolarHBondContact O-N 3.34Å; F17-W20 PolarHBondContact O-N 3.37Å; F17-W21 HydrophobicContact CB-CD2 4.44Å; F17-W21 HydrophobicContact CB-CE3 4.35Å; F17-W21 HydrophobicContact CB-CH2 4.14Å; F17-W21 HydrophobicContact CB-CZ2 4.21Å; F17-W21 HydrophobicContact CB-CZ3 4.2Å; F17-W21 AromaticContact CD1-CE2 3.93Å; F17-W21 HydrophobicContact CD1-CH2 4.34Å; F17-W21 AromaticContact CD1-CZ2 3.71Å; F17-W21 HydrophobicContact CD1-CZ2 3.71Å; F17-W21 HydrophobicContact CG-CZ2 4.3Å; F17-W21 WeakPolarHBondContact O-CB 3.4Å; F17-W21 PolarHBondContact O-N 3.19Å; F17-I56 HydrophobicContact CZ-CG2 3.87Å; F17-K57 HydrophobicContact CE1-CG 4.37Å; F17-K57 HydrophobicContact CZ-CG 4.03Å
18G97.7Very high95.3Very high0 Ų037.4 Ų37.40%019%0.188CC..Hα-helixtrans-61.4-46.8177.300000112.5F14 L15 W21 S22 T184F14-G18 PolarHBondContact O-N 3.15Å; L15-G18 PolarHBondContact O-N 3.1Å; G18-W21 PolarHBondContact O-N 2.99Å; G18-S22 WeakPolarHBondContact O-CB 3.3Å; G18-S22 PolarHBondContact O-N 3.5Å; G18-T184 WeakPolarHBondContact O-CG2 3.49Å
19L97.9Very high95.2Very high72 Ų7240.5 Ų40.538%0.37720%0.198SC..Hα-helixtrans-64.4-43.9176.4-70.3172.6000111.4L15 W21 S22 V23 I188 I235L15-L19 VanDerWaalsContact O-CB 3.29Å; L15-L19 WeakPolarHBondContact O-CB 3.31Å; L15-L19 WeakPolarHBondContact O-CG 3.48Å; L15-L19 PolarHBondContact O-N 2.97Å; L19-W21 PolarHBondContact O-N 3.48Å; L19-S22 WeakPolarHBondContact O-CB 3.48Å; L19-S22 PolarHBondContact O-N 2.83Å; L19-S22 PolarHBondContact O-OG 3.03Å; L19-V23 PolarHBondContact O-N 2.93Å; L19-I188 HydrophobicContact CD2-CD1 4.36Å; L19-I235 HydrophobicContact CD2-CD1 4.48Å; L19-I235 HydrophobicContact CD2-CG2 3.79Å
20W97.3Very high95Very high108 Ų10836.4 Ų36.441%0.40918%0.177SC..Hα-helixtrans-57.7-48.7173.9169.3-112.3000112L16 F17 S22 V23 K24 L49 E53L16-W20 WeakPolarHBondContact O-CB 3.49Å; L16-W20 PolarHBondContact O-N 3.24Å; F17-W20 PolarHBondContact O-N 3.37Å; W20-S22 VanDerWaalsContact C-N 3.28Å; W20-S22 PolarHBondContact O-N 3.35Å; W20-V23 PolarHBondContact O-N 3.36Å; W20-V23 VanDerWaalsContact O-N 3.15Å; W20-K24 HydrophobicContact CZ2-CD 4.29Å; W20-K24 WeakPolarHBondContact O-CB 3.36Å; W20-K24 PolarHBondContact O-N 3.46Å; W20-L49 HydrophobicContact CH2-CD2 4.18Å; W20-L49 HydrophobicContact CZ2-CD1 4.34Å; W20-L49 HydrophobicContact CZ2-CD2 4.05Å; W20-E53 PolarHBondContact NE1-OE1 3.28Å
21W97.3Very high94.7Very high16 Ų1635.7 Ų35.76%0.06117%0.173CC..Hα-helixtrans-64.7-32178-66.8-23.4000112.8F17 G18 L19 V23 K24 Y25 E53 R183 T184 C187F17-W21 HydrophobicContact CB-CD2 4.44Å; F17-W21 HydrophobicContact CB-CE3 4.35Å; F17-W21 HydrophobicContact CB-CH2 4.14Å; F17-W21 HydrophobicContact CB-CZ2 4.21Å; F17-W21 HydrophobicContact CB-CZ3 4.2Å; F17-W21 AromaticContact CD1-CE2 3.93Å; F17-W21 HydrophobicContact CD1-CH2 4.34Å; F17-W21 AromaticContact CD1-CZ2 3.71Å; F17-W21 HydrophobicContact CD1-CZ2 3.71Å; F17-W21 HydrophobicContact CG-CZ2 4.3Å; F17-W21 WeakPolarHBondContact O-CB 3.4Å; F17-W21 PolarHBondContact O-N 3.19Å; G18-W21 PolarHBondContact O-N 2.99Å; L19-W21 PolarHBondContact O-N 3.48Å; W21-V23 PolarHBondContact O-N 3.29Å; W21-K24 PolarHBondContact O-N 3.48Å; W21-Y25 HydrophobicContact CB-CD2 3.91Å; W21-Y25 HydrophobicContact CB-CE2 3.96Å; W21-Y25 HydrophobicContact CG-CE2 4.16Å; W21-Y25 WeakPolarHBondContact O-CD2 3.46Å; W21-Y25 PolarHBondContact O-N 2.96Å; W21-E53 PolarHBondContact NE1-OE2 2.81Å; W21-R183 VanDerWaalsContact CD2-NH1 3.27Å; W21-T184 HydrophobicContact CB-CG2 3.91Å; W21-T184 WeakPolarHBondContact CB-OG1 3.2Å; W21-C187 HydrophobicContact CE3-CB 4.11Å; W21-C187 HydrophobicContact CZ3-CB 3.87Å; W21-C187 WeakPolarHBondContact CZ3-SG 3.47Å
22S97.7Very high94.1Very high0 Ų043 Ų430%020%0.2CC..Hα-helixtrans-64.9-18.6176.380.20000113.6G18 L19 W20 P26 N239G18-S22 WeakPolarHBondContact O-CB 3.3Å; G18-S22 PolarHBondContact O-N 3.5Å; L19-S22 WeakPolarHBondContact O-CB 3.48Å; L19-S22 PolarHBondContact O-N 2.83Å; L19-S22 PolarHBondContact O-OG 3.03Å; W20-S22 VanDerWaalsContact C-N 3.28Å; W20-S22 PolarHBondContact O-N 3.35Å; S22-P26 VanDerWaalsContact O-CD 3.26Å; S22-P26 WeakPolarHBondContact O-CD 3.4Å; S22-P26 WeakPolarHBondContact O-CG 3.31Å; S22-N239 PolarHBondContact OG-ND2 3.48Å
23V96.1Very high93.4Very high54 Ų5448.6 Ų48.633%0.32722%0.22SC..Hα-helixtrans-100.7-45.5172.9178.60000110.8L19 W20 W21 Y25 P26 L27 N239 V243L19-V23 PolarHBondContact O-N 2.93Å; W20-V23 PolarHBondContact O-N 3.36Å; W20-V23 VanDerWaalsContact O-N 3.15Å; W21-V23 PolarHBondContact O-N 3.29Å; V23-Y25 VanDerWaalsContact C-N 3.35Å; V23-Y25 PolarHBondContact O-N 3.4Å; V23-P26 WeakPolarHBondContact O-CD 3.34Å; V23-L27 VanDerWaalsContact O-CB 3.28Å; V23-L27 WeakPolarHBondContact O-CB 3.49Å; V23-L27 PolarHBondContact O-N 2.95Å; V23-L27 VanDerWaalsContact O-N 3.08Å; V23-N239 HydrophobicContact CG2-CB 4.35Å; V23-V243 HydrophobicContact CG1-CG2 3.9Å
24K94.6Very high92.4Very high3 Ų348.3 Ų48.31%0.01322%0.221CC..Hα-helixtrans-55.5-47-177.2-176.3-178.272.5169.70112.1W20 W21 L27 K28 F46 E50 E53W20-K24 HydrophobicContact CZ2-CD 4.29Å; W20-K24 WeakPolarHBondContact O-CB 3.36Å; W20-K24 PolarHBondContact O-N 3.46Å; W21-K24 PolarHBondContact O-N 3.48Å; K24-L27 PolarHBondContact O-N 3.04Å; K24-K28 WeakPolarHBondContact O-CB 3.43Å; K24-K28 PolarHBondContact O-N 3.27Å; K24-F46 HydrophobicContact CG-CE1 4.38Å; K24-E50 IonicContact NZ-OE1 3.81Å; K24-E50 PolarHBondContact NZ-OE1 3.37Å; K24-E50 IonicContact NZ-OE2 2.9Å; K24-E53 VanDerWaalsContact CD-OE1 3.22Å; K24-E53 WeakPolarHBondContact CD-OE1 3.43Å; K24-E53 WeakPolarHBondContact CE-OE1 3.46Å; K24-E53 IonicContact NZ-OE1 3.88Å; K24-E53 PolarHBondContact NZ-OE1 3.46Å; K24-E53 IonicContact NZ-OE2 2.93Å; K24-E53 PolarHBondContact NZ-OE2 3.4Å
25Y94.4Very high90.8Very high0 Ų055.8 Ų55.80%025%0.254CS..Hα-helixtrans-73.2-46-173.5-72.5-52.2000114.7W21 V23 L27 K28 Y29 R124 E180 M181 R183W21-Y25 HydrophobicContact CB-CD2 3.91Å; W21-Y25 HydrophobicContact CB-CE2 3.96Å; W21-Y25 HydrophobicContact CG-CE2 4.16Å; W21-Y25 WeakPolarHBondContact O-CD2 3.46Å; W21-Y25 PolarHBondContact O-N 2.96Å; V23-Y25 VanDerWaalsContact C-N 3.35Å; V23-Y25 PolarHBondContact O-N 3.4Å; Y25-L27 PolarHBondContact O-N 3.04Å; Y25-K28 HydrophobicContact CD1-CD 4.43Å; Y25-K28 PolarHBondContact O-N 3.34Å; Y25-Y29 WeakPolarHBondContact O-CB 3.42Å; Y25-Y29 PolarHBondContact O-N 3.23Å; Y25-R124 PolarHBondContact OH-NH2 3.38Å; Y25-E180 HydrophobicContact CD1-CB 3.83Å; Y25-E180 HydrophobicContact CD1-CG 3.79Å; Y25-E180 WeakPolarHBondContact CD1-OE2 3.28Å; Y25-E180 HydrophobicContact CD2-CB 3.8Å; Y25-E180 HydrophobicContact CD2-CG 4.48Å; Y25-E180 HydrophobicContact CE1-CB 3.96Å; Y25-E180 HydrophobicContact CE1-CG 3.55Å; Y25-E180 WeakPolarHBondContact CE1-OE1 3.13Å; Y25-E180 HydrophobicContact CE2-CB 3.85Å; Y25-E180 HydrophobicContact CE2-CG 4.21Å; Y25-E180 HydrophobicContact CG-CB 3.73Å; Y25-E180 HydrophobicContact CG-CG 4.24Å; Y25-M181 HydrophobicContact CD2-CE 4.35Å; Y25-R183 VanDerWaalsContact CE2-CZ 3.43Å; Y25-R183 PolarHBondContact OH-NE 3.46Å; Y25-R183 PolarHBondContact OH-NH2 2.81Å
26P94.2Very high88.8Confident0 Ų061.8 Ų61.80%029%0.286CS..Hα-helixtrans-57-40.7169.9-28.338000111.9S22 V23 K28 Y29 V30 M181 Y240 V243S22-P26 VanDerWaalsContact O-CD 3.26Å; S22-P26 WeakPolarHBondContact O-CD 3.4Å; S22-P26 WeakPolarHBondContact O-CG 3.31Å; V23-P26 WeakPolarHBondContact O-CD 3.34Å; P26-K28 PolarHBondContact O-N 3.06Å; P26-Y29 PolarHBondContact O-N 2.97Å; P26-V30 WeakPolarHBondContact O-CB 3.23Å; P26-V30 VanDerWaalsContact O-CG2 3.28Å; P26-V30 WeakPolarHBondContact O-CG2 3.38Å; P26-V30 PolarHBondContact O-N 2.99Å; P26-M181 HydrophobicContact CG-CE 4.34Å; P26-M181 HydrophobicContact CG-SD 3.9Å; P26-Y240 HydrophobicContact CB-CD2 3.69Å; P26-Y240 HydrophobicContact CB-CE2 4.22Å; P26-Y240 HydrophobicContact CB-CG 4.26Å; P26-Y240 HydrophobicContact CG-CD2 3.73Å; P26-Y240 HydrophobicContact CG-CG 4.38Å; P26-V243 HydrophobicContact CB-CB 4.17Å; P26-V243 HydrophobicContact CB-CG1 4.05Å
27L91.8Very high86.8Confident37 Ų3757.8 Ų57.819%0.19427%0.269CS..Hα-helixtrans-61.6-47.6179.1-178.864.7000111V23 K24 Y25 Y29 C31 L40 F46 V243 V247V23-L27 VanDerWaalsContact O-CB 3.28Å; V23-L27 WeakPolarHBondContact O-CB 3.49Å; V23-L27 PolarHBondContact O-N 2.95Å; V23-L27 VanDerWaalsContact O-N 3.08Å; K24-L27 PolarHBondContact O-N 3.04Å; Y25-L27 PolarHBondContact O-N 3.04Å; L27-Y29 PolarHBondContact O-N 3.44Å; L27-C31 VanDerWaalsContact O-CB 3.25Å; L27-C31 WeakPolarHBondContact O-CB 3.43Å; L27-C31 PolarHBondContact O-N 3.14Å; L27-C31 PolarHBondContact O-SG 2.92Å; L27-L40 HydrophobicContact CD2-CD2 4.48Å; L27-F46 HydrophobicContact CG-CZ 4.38Å; L27-V243 HydrophobicContact CB-CG1 3.9Å; L27-V243 HydrophobicContact CD1-CG1 4.15Å; L27-V247 HydrophobicContact CD1-CG2 3.71Å
28K90.4Very high85Confident42 Ų4257.2 Ų57.218%0.18327%0.27CS..Hα-helixtrans-58.2-46.2175-174-176.5172.9-166.80112K24 Y25 P26 R32 F46 E180K24-K28 WeakPolarHBondContact O-CB 3.43Å; K24-K28 PolarHBondContact O-N 3.27Å; Y25-K28 HydrophobicContact CD1-CD 4.43Å; Y25-K28 PolarHBondContact O-N 3.34Å; P26-K28 PolarHBondContact O-N 3.06Å; K28-R32 VanDerWaalsContact O-CB 3.26Å; K28-R32 WeakPolarHBondContact O-CB 3.32Å; K28-R32 PolarHBondContact O-N 3.22Å; K28-F46 HydrophobicContact CB-CD1 4.25Å; K28-F46 HydrophobicContact CB-CE1 3.6Å; K28-F46 HydrophobicContact CB-CE2 4.03Å; K28-F46 HydrophobicContact CB-CZ 3.49Å; K28-F46 VanDerWaalsContact CB-CZ 3.49Å; K28-F46 HydrophobicContact CD-CD1 4.44Å; K28-F46 HydrophobicContact CG-CD1 4.24Å; K28-F46 HydrophobicContact CG-CD2 4.27Å; K28-F46 HydrophobicContact CG-CE1 4.06Å; K28-F46 HydrophobicContact CG-CE2 4.03Å; K28-F46 HydrophobicContact CG-CG 4.38Å; K28-F46 HydrophobicContact CG-CZ 3.97Å; K28-E180 IonicContact NZ-OE1 2.89Å; K28-E180 PolarHBondContact NZ-OE1 3.04Å
29Y90.9Very high83Confident74 Ų7467.9 Ų67.929%0.2931%0.312SS..Hα-helixtrans-64.8-49.7-179.1179-105.8000112.3Y25 P26 L27 R32 K33 I177 Y240Y25-Y29 WeakPolarHBondContact O-CB 3.42Å; Y25-Y29 PolarHBondContact O-N 3.23Å; P26-Y29 PolarHBondContact O-N 2.97Å; L27-Y29 PolarHBondContact O-N 3.44Å; Y29-R32 PolarHBondContact O-N 3.4Å; Y29-K33 PolarHBondContact O-N 3.18Å; Y29-K33 VanDerWaalsContact O-N 3.17Å; Y29-I177 HydrophobicContact CD1-CG1 4.36Å; Y29-I177 HydrophobicContact CD2-CB 3.79Å; Y29-I177 HydrophobicContact CD2-CG1 4.18Å; Y29-I177 HydrophobicContact CD2-CG2 3.98Å; Y29-I177 HydrophobicContact CE2-CB 4.21Å; Y29-I177 HydrophobicContact CE2-CG2 3.87Å; Y29-I177 HydrophobicContact CG-CB 4.09Å; Y29-I177 HydrophobicContact CG-CD1 4.32Å; Y29-I177 HydrophobicContact CG-CG1 3.94Å; Y29-I177 HydrophobicContact CG-CG2 4.44Å; Y29-Y240 HydrophobicContact CD1-CE2 4.33Å; Y29-Y240 WeakPolarHBondContact CD1-OH 3.46Å; Y29-Y240 WeakPolarHBondContact CE1-OH 3.34Å
30V89.2Confident80.7Confident11 Ų1170.9 Ų70.97%0.06733%0.328CS..Hα-helixtrans-68.3-42.2-178.4179.80000111.2P26 K33 N34 V247P26-V30 WeakPolarHBondContact O-CB 3.23Å; P26-V30 VanDerWaalsContact O-CG2 3.28Å; P26-V30 WeakPolarHBondContact O-CG2 3.38Å; P26-V30 PolarHBondContact O-N 2.99Å; V30-K33 PolarHBondContact O-N 2.97Å; V30-N34 PolarHBondContact O-N 3.26Å; V30-V247 HydrophobicContact CG1-CB 3.88Å; V30-V247 HydrophobicContact CG1-CG1 3.69Å; V30-V247 HydrophobicContact CG1-CG2 4.33Å
31C85.6Confident78.8Confident7 Ų766.7 Ų66.75%0.04732%0.317CS..Hα-helixtrans-66.7-35.5176.6-710000112.1L27 K33 N34 C38L27-C31 VanDerWaalsContact O-CB 3.25Å; L27-C31 WeakPolarHBondContact O-CB 3.43Å; L27-C31 PolarHBondContact O-N 3.14Å; L27-C31 PolarHBondContact O-SG 2.92Å; C31-K33 VanDerWaalsContact C-N 3.29Å; C31-K33 PolarHBondContact O-N 3.36Å; C31-N34 CarbonylContact O-C 3.59Å; C31-N34 PolarHBondContact O-N 3.16Å; C31-C38 HydrophobicContact CB-CB 3.56Å; C31-C38 WeakPolarHBondContact CB-SG 3.26Å; C31-C38 WeakPolarHBondContact SG-CB 3.34Å; C31-C38 CovalentContact SG-SG 2.06Å; C31-C38 PolarHBondContact SG-SG 3.26Å
32R82.8Confident77.5Confident153 Ų15368.3 Ų68.358%0.57733%0.331SS*.Hα-helixtrans-64.4-34.2174.4-167175.289.9-166.53.8112.6K28 Y29K28-R32 VanDerWaalsContact O-CB 3.26Å; K28-R32 WeakPolarHBondContact O-CB 3.32Å; K28-R32 PolarHBondContact O-N 3.22Å; Y29-R32 PolarHBondContact O-N 3.4Å
33K81.7Confident76.5Confident157 Ų15779 Ų7968%0.68337%0.372SS*.Hα-helixtrans-72.2-29.1177.6-168.3169.8-179.5173.60112.4Y29 V30 C31Y29-K33 PolarHBondContact O-N 3.18Å; Y29-K33 VanDerWaalsContact O-N 3.17Å; V30-K33 PolarHBondContact O-N 2.97Å; C31-K33 VanDerWaalsContact C-N 3.29Å; C31-K33 PolarHBondContact O-N 3.36Å
34N73.1Confident75.8Confident56 Ų5679 Ų7930%0.29938%0.378SS..  trans-117.878.7-176.1-64.3-39.6000111.7V30 C31 N36 A37 I251V30-N34 PolarHBondContact O-N 3.26Å; C31-N34 CarbonylContact O-C 3.59Å; C31-N34 PolarHBondContact O-N 3.16Å; N34-N36 VanDerWaalsContact C-N 3.28Å; N34-N36 PolarHBondContact O-N 2.98Å; N34-N36 VanDerWaalsContact O-N 3.16Å; N34-A37 HydrophobicContact CB-CB 4.27Å; N34-A37 PolarHBondContact O-N 3.27Å; N34-I251 HydrophobicContact CB-CD1 3.59Å
35K63Low75.3Confident187 Ų18779.9 Ų79.981%0.81339%0.387SS*.THydrogen-bonded Turntrans-57.8-29.6-170.5-66.2-176.6-180178.10115.5
36N56.6Low74.8Confident168 Ų16880.9 Ų80.990%0.89839%0.392SS*.THydrogen-bonded Turntrans-86.9-4.3-173.7-64.51000114.1N34N34-N36 VanDerWaalsContact C-N 3.28Å; N34-N36 PolarHBondContact O-N 2.98Å; N34-N36 VanDerWaalsContact O-N 3.16Å
37A54.9Low74.5Confident30 Ų3084.4 Ų84.425%0.24841%0.408CS..SBendtrans-108.2-18.5-161.500000116.4N34 I251N34-A37 HydrophobicContact CB-CB 4.27Å; N34-A37 PolarHBondContact O-N 3.27Å; A37-I251 HydrophobicContact CB-CB 4.12Å; A37-I251 HydrophobicContact CB-CD1 3.28Å; A37-I251 HydrophobicContact CB-CG1 3.34Å; A37-I251 HydrophobicContact CB-CG2 4.1Å
38C58.3Low74.4Confident27 Ų2791.7 Ų91.718%0.18243%0.433CS..  trans-135.887.4-157.8-167.70000111.2C31 L40 G41C31-C38 HydrophobicContact CB-CB 3.56Å; C31-C38 WeakPolarHBondContact CB-SG 3.26Å; C31-C38 WeakPolarHBondContact SG-CB 3.34Å; C31-C38 CovalentContact SG-SG 2.06Å; C31-C38 PolarHBondContact SG-SG 3.26Å; C38-L40 PolarHBondContact O-N 3.39Å; C38-G41 WeakPolarHBondContact O-CA 3.31Å; C38-G41 PolarHBondContact O-N 2.99Å; C38-G41 PolarHBondContact SG-N 3.42Å
39Y55.2Low74.5Confident223 Ų22392.4 Ų92.488%0.87544%0.439SS*.G310 helixtrans-60.6-34.4169.9-152.5-91.2000111.3G41 S42Y39-G41 PolarHBondContact O-N 2.95Å; Y39-S42 WeakPolarHBondContact O-CB 3.43Å; Y39-S42 PolarHBondContact O-N 3.16Å; Y39-S42 PolarHBondContact O-OG 3.05Å
40L50.5Low74.6Confident136 Ų13689.2 Ų89.271%0.71243%0.427SS*.G310 helixtrans-61.9-23.7171.7-122.1101.2000113.3L27 C38L27-L40 HydrophobicContact CD2-CD2 4.48Å; C38-L40 PolarHBondContact O-N 3.39Å
41G57Low74.8Confident19 Ų1991.9 Ų91.920%0.19644%0.437CS..G310 helixtrans-97.112.8-178.600000113.9C38 Y39 F46C38-G41 WeakPolarHBondContact O-CA 3.31Å; C38-G41 PolarHBondContact O-N 2.99Å; C38-G41 PolarHBondContact SG-N 3.42Å; Y39-G41 PolarHBondContact O-N 2.95Å; G41-F46 VanDerWaalsContact CA-CE2 3.44Å
42S70.2Confident75.3Confident51 Ų5195 Ų9536%0.35746%0.456SS..  trans-58.8145.6175.668.60000110.6Y39 A44 G45 F46Y39-S42 WeakPolarHBondContact O-CB 3.43Å; Y39-S42 PolarHBondContact O-N 3.16Å; Y39-S42 PolarHBondContact O-OG 3.05Å; S42-A44 PolarHBondContact O-N 3.23Å; S42-G45 PolarHBondContact O-N 3.1Å; S42-G45 PolarHBondContact OG-N 3.48Å; S42-F46 PolarHBondContact O-N 3.02Å; S42-F46 VanDerWaalsContact O-N 3.14Å
43R75.8Confident75.9Confident224 Ų22488 Ų8885%0.84543%0.43SS*.Hα-helixtrans-52.9-39.3177.8-176.7177.5176.2177.7-1.6111.6Q47R43-Q47 WeakPolarHBondContact O-CB 3.44Å; R43-Q47 PolarHBondContact O-N 3.48Å
44A81.1Confident76.7Confident55 Ų5580.5 Ų80.546%0.45540%0.397SS..Hα-helixtrans-66.8-38.6176.700000112.8S42 Q47 R48S42-A44 PolarHBondContact O-N 3.23Å; A44-Q47 PolarHBondContact O-N 3.17Å; A44-R48 WeakPolarHBondContact O-CG 3.25Å; A44-R48 PolarHBondContact O-N 3.2Å
45G83.8Confident77.8Confident21 Ų2181.1 Ų81.122%0.21640%0.4CS..Hα-helixtrans-61.4-49175.500000112.2S42 Q47 R48 L49S42-G45 PolarHBondContact O-N 3.1Å; S42-G45 PolarHBondContact OG-N 3.48Å; G45-Q47 VanDerWaalsContact C-N 3.33Å; G45-Q47 PolarHBondContact O-N 3.4Å; G45-R48 WeakPolarHBondContact O-CB 3.48Å; G45-R48 PolarHBondContact O-N 3.46Å; G45-L49 WeakPolarHBondContact O-CG 3.22Å; G45-L49 PolarHBondContact O-N 3.25Å
46F85.1Confident79.4Confident20 Ų2075.3 Ų75.39%0.08838%0.377CS..Hα-helixtrans-64.9-36.3176.4-79.4-65.9000113.1K24 L27 K28 G41 S42 R48 L49 E50K24-F46 HydrophobicContact CG-CE1 4.38Å; L27-F46 HydrophobicContact CG-CZ 4.38Å; K28-F46 HydrophobicContact CB-CD1 4.25Å; K28-F46 HydrophobicContact CB-CE1 3.6Å; K28-F46 HydrophobicContact CB-CE2 4.03Å; K28-F46 HydrophobicContact CB-CZ 3.49Å; K28-F46 VanDerWaalsContact CB-CZ 3.49Å; K28-F46 HydrophobicContact CD-CD1 4.44Å; K28-F46 HydrophobicContact CG-CD1 4.24Å; K28-F46 HydrophobicContact CG-CD2 4.27Å; K28-F46 HydrophobicContact CG-CE1 4.06Å; K28-F46 HydrophobicContact CG-CE2 4.03Å; K28-F46 HydrophobicContact CG-CG 4.38Å; K28-F46 HydrophobicContact CG-CZ 3.97Å; G41-F46 VanDerWaalsContact CA-CE2 3.44Å; S42-F46 PolarHBondContact O-N 3.02Å; S42-F46 VanDerWaalsContact O-N 3.14Å; F46-R48 VanDerWaalsContact C-N 3.34Å; F46-L49 HydrophobicContact CD1-CD1 4.09Å; F46-L49 HydrophobicContact CE1-CD1 4.34Å; F46-L49 PolarHBondContact O-N 3.44Å; F46-E50 WeakPolarHBondContact O-CG 3.15Å; F46-E50 PolarHBondContact O-N 3.33Å
47Q87.9Confident81.3Confident75 Ų7568 Ų6835%0.3534%0.337SS..Hα-helixtrans-62.9-41.1174.4-174.6173.3-7.700111.7R43 A44 G45 L49 E50 F51 H113R43-Q47 WeakPolarHBondContact O-CB 3.44Å; R43-Q47 PolarHBondContact O-N 3.48Å; A44-Q47 PolarHBondContact O-N 3.17Å; G45-Q47 VanDerWaalsContact C-N 3.33Å; G45-Q47 PolarHBondContact O-N 3.4Å; Q47-L49 VanDerWaalsContact C-N 3.33Å; Q47-L49 PolarHBondContact O-N 2.95Å; Q47-E50 PolarHBondContact O-N 3.09Å; Q47-F51 WeakPolarHBondContact O-CB 3.3Å; Q47-F51 PolarHBondContact O-N 3.29Å; Q47-H113 HydrophobicContact CG-CB 4.01Å; Q47-H113 VanDerWaalsContact CG-O 3.26Å; Q47-H113 WeakPolarHBondContact CG-O 3.39Å; Q47-H113 PolarHBondContact NE2-O 3.12Å
48R90.4Very high83.3Confident189 Ų18967.5 Ų67.571%0.71333%0.333SS*.Hα-helixtrans-62.4-38.4172.8-72.1177.4-176.6-172.21112.3A44 G45 F46 F51 V52A44-R48 WeakPolarHBondContact O-CG 3.25Å; A44-R48 PolarHBondContact O-N 3.2Å; G45-R48 WeakPolarHBondContact O-CB 3.48Å; G45-R48 PolarHBondContact O-N 3.46Å; F46-R48 VanDerWaalsContact C-N 3.34Å; R48-F51 PolarHBondContact O-N 3.43Å; R48-V52 VanDerWaalsContact O-CG2 3.3Å; R48-V52 WeakPolarHBondContact O-CG2 3.5Å; R48-V52 PolarHBondContact O-N 2.91Å
49L92.3Very high85.2Confident57 Ų5769.7 Ų69.730%0.29835%0.345SS..Hα-helixtrans-65.1-45.3176.4-69175.5000112.1W20 G45 F46 Q47 F51 V52 E53W20-L49 HydrophobicContact CH2-CD2 4.18Å; W20-L49 HydrophobicContact CZ2-CD1 4.34Å; W20-L49 HydrophobicContact CZ2-CD2 4.05Å; G45-L49 WeakPolarHBondContact O-CG 3.22Å; G45-L49 PolarHBondContact O-N 3.25Å; F46-L49 HydrophobicContact CD1-CD1 4.09Å; F46-L49 HydrophobicContact CE1-CD1 4.34Å; F46-L49 PolarHBondContact O-N 3.44Å; Q47-L49 VanDerWaalsContact C-N 3.33Å; Q47-L49 PolarHBondContact O-N 2.95Å; L49-F51 VanDerWaalsContact C-N 3.31Å; L49-F51 PolarHBondContact O-N 3.4Å; L49-V52 PolarHBondContact O-N 3.13Å; L49-E53 WeakPolarHBondContact O-CB 3.46Å; L49-E53 WeakPolarHBondContact O-CG 3.33Å; L49-E53 PolarHBondContact O-N 3Å
50E92.6Very high87.1Confident8 Ų863.4 Ų63.44%0.03732%0.323CS..Hα-helixtrans-64.7-36.6176.1-57.9-75.4145.600111.1K24 F46 Q47 E53 G54 H113 R124K24-E50 IonicContact NZ-OE1 3.81Å; K24-E50 PolarHBondContact NZ-OE1 3.37Å; K24-E50 IonicContact NZ-OE2 2.9Å; F46-E50 WeakPolarHBondContact O-CG 3.15Å; F46-E50 PolarHBondContact O-N 3.33Å; Q47-E50 PolarHBondContact O-N 3.09Å; E50-E53 PolarHBondContact O-N 2.95Å; E50-G54 PolarHBondContact O-N 3.42Å; E50-H113 HydrophobicContact CB-CB 4.41Å; E50-H113 VanDerWaalsContact CB-CD2 3.48Å; E50-H113 WeakPolarHBondContact CB-CD2 3.41Å; E50-R124 IonicContact OE1-NH2 2.76Å; E50-R124 IonicContact OE2-CZ 2.65Å; E50-R124 IonicContact OE2-NH1 3Å; E50-R124 PolarHBondContact OE2-NH1 3.48Å; E50-R124 VanDerWaalsContact OE2-NH1 3.09Å; E50-R124 IonicContact OE2-NH2 3.74Å; E50-R124 PolarHBondContact OE2-NH2 2.91Å
51F94.3Very high89.3Confident67 Ų6757.1 Ų57.129%0.29429%0.29SS..Hα-helixtrans-62.3-46.6173.6-178.3-93.6000112.6Q47 R48 L49 G54 I55 I110 H113Q47-F51 WeakPolarHBondContact O-CB 3.3Å; Q47-F51 PolarHBondContact O-N 3.29Å; R48-F51 PolarHBondContact O-N 3.43Å; L49-F51 VanDerWaalsContact C-N 3.31Å; L49-F51 PolarHBondContact O-N 3.4Å; F51-G54 PolarHBondContact O-N 2.78Å; F51-I55 HydrophobicContact CD1-CD1 3.86Å; F51-I55 HydrophobicContact CE1-CD1 3.41Å; F51-I55 VanDerWaalsContact CE1-CD1 3.41Å; F51-I55 HydrophobicContact CE1-CG1 4.26Å; F51-I55 HydrophobicContact CZ-CD1 4.13Å; F51-I55 PolarHBondContact O-N 2.88Å; F51-I110 HydrophobicContact CD2-CB 4.45Å; F51-I110 HydrophobicContact CD2-CG2 4.21Å; F51-I110 WeakPolarHBondContact CD2-O 3.27Å; F51-I110 HydrophobicContact CE2-CB 4.23Å; F51-I110 HydrophobicContact CE2-CG2 3.51Å; F51-I110 WeakPolarHBondContact CE2-O 3.05Å; F51-I110 HydrophobicContact CZ-CG2 4.04Å; F51-H113 HydrophobicContact CB-CB 4.13Å
52V95.8Very high91.1Very high72 Ų7261.3 Ų61.344%0.43631%0.308SS..Hα-helixtrans-64.7-40.2176.6170.20000111.1R48 L49 G54 I55 I56R48-V52 VanDerWaalsContact O-CG2 3.3Å; R48-V52 WeakPolarHBondContact O-CG2 3.5Å; R48-V52 PolarHBondContact O-N 2.91Å; L49-V52 PolarHBondContact O-N 3.13Å; V52-G54 VanDerWaalsContact C-N 3.27Å; V52-G54 PolarHBondContact O-N 2.89Å; V52-I55 PolarHBondContact O-N 3.25Å; V52-I56 HydrophobicContact CG1-CD1 3.86Å; V52-I56 HydrophobicContact CG1-CG1 4.37Å; V52-I56 VanDerWaalsContact O-CG1 3.3Å; V52-I56 WeakPolarHBondContact O-CG1 3.13Å; V52-I56 PolarHBondContact O-N 2.91Å
53E95.4Very high92.3Very high6 Ų663.6 Ų63.63%0.02832%0.315CS..Hα-helixtrans-58.4-40.4172-80.7177.8-136.500111.7W20 W21 K24 L49 E50 I56 K57W20-E53 PolarHBondContact NE1-OE1 3.28Å; W21-E53 PolarHBondContact NE1-OE2 2.81Å; K24-E53 VanDerWaalsContact CD-OE1 3.22Å; K24-E53 WeakPolarHBondContact CD-OE1 3.43Å; K24-E53 WeakPolarHBondContact CE-OE1 3.46Å; K24-E53 IonicContact NZ-OE1 3.88Å; K24-E53 PolarHBondContact NZ-OE1 3.46Å; K24-E53 IonicContact NZ-OE2 2.93Å; K24-E53 PolarHBondContact NZ-OE2 3.4Å; L49-E53 WeakPolarHBondContact O-CB 3.46Å; L49-E53 WeakPolarHBondContact O-CG 3.33Å; L49-E53 PolarHBondContact O-N 3Å; E50-E53 PolarHBondContact O-N 2.95Å; E53-I56 PolarHBondContact O-N 3.39Å; E53-K57 VanDerWaalsContact O-CG 3.29Å; E53-K57 WeakPolarHBondContact O-CG 3.26Å; E53-K57 PolarHBondContact O-N 3.17Å
54G96.6Very high93.1Very high0 Ų053.3 Ų53.30%028%0.279CS..Hα-helixtrans-59.1-46.2173.700000113E50 F51 V52 K57 A58 G106E50-G54 PolarHBondContact O-N 3.42Å; F51-G54 PolarHBondContact O-N 2.78Å; V52-G54 VanDerWaalsContact C-N 3.27Å; V52-G54 PolarHBondContact O-N 2.89Å; G54-K57 PolarHBondContact O-N 2.97Å; G54-A58 WeakPolarHBondContact O-CB 3.37Å; G54-A58 PolarHBondContact O-N 3.41Å; G54-G106 CarbonylContact C-O 3.6Å; G54-G106 WeakPolarHBondContact CA-O 3.36Å; G54-G106 CarbonylContact O-C 3.39Å; G54-G106 WeakPolarHBondContact O-CA 3.43Å
55I97.6Very high93.7Very high69 Ų6953.4 Ų53.435%0.35427%0.27SS..Hα-helixtrans-59.4-49.6174.6-66.5172.9000110.7F51 V52 K57 A58 V59 I110F51-I55 HydrophobicContact CD1-CD1 3.86Å; F51-I55 HydrophobicContact CE1-CD1 3.41Å; F51-I55 VanDerWaalsContact CE1-CD1 3.41Å; F51-I55 HydrophobicContact CE1-CG1 4.26Å; F51-I55 HydrophobicContact CZ-CD1 4.13Å; F51-I55 PolarHBondContact O-N 2.88Å; V52-I55 PolarHBondContact O-N 3.25Å; I55-K57 VanDerWaalsContact C-N 3.33Å; I55-K57 PolarHBondContact O-N 2.97Å; I55-A58 PolarHBondContact O-N 2.76Å; I55-V59 HydrophobicContact CG2-CG2 4.09Å; I55-V59 WeakPolarHBondContact O-CB 3.34Å; I55-V59 VanDerWaalsContact O-CG2 3.31Å; I55-V59 WeakPolarHBondContact O-CG2 3.44Å; I55-V59 PolarHBondContact O-N 3.17Å; I55-I110 HydrophobicContact CG1-CD1 3.83Å; I55-I110 HydrophobicContact CG1-CG1 3.94Å
56I96.6Very high94.2Very high65 Ų6555.8 Ų55.833%0.33328%0.281SS..Hα-helixtrans-57.5-47.9-179.5-71.4171.7000110.1F17 V52 E53 V59 F60F17-I56 HydrophobicContact CZ-CG2 3.87Å; V52-I56 HydrophobicContact CG1-CD1 3.86Å; V52-I56 HydrophobicContact CG1-CG1 4.37Å; V52-I56 VanDerWaalsContact O-CG1 3.3Å; V52-I56 WeakPolarHBondContact O-CG1 3.13Å; V52-I56 PolarHBondContact O-N 2.91Å; E53-I56 PolarHBondContact O-N 3.39Å; I56-V59 PolarHBondContact O-N 3.27Å; I56-F60 HydrophobicContact CG2-CD2 3.55Å; I56-F60 HydrophobicContact CG2-CE2 3.66Å; I56-F60 WeakPolarHBondContact O-CB 3.41Å; I56-F60 WeakPolarHBondContact O-CD2 3.16Å; I56-F60 PolarHBondContact O-N 3.4Å
57K96.4Very high94.5Very high15 Ų1557.4 Ų57.47%0.06530%0.298CS..Hα-helixtrans-58.8-49.7176.6-72.1171.4-170.6173.40112F17 E53 G54 I55 F60 A61 D109F17-K57 HydrophobicContact CE1-CG 4.37Å; F17-K57 HydrophobicContact CZ-CG 4.03Å; E53-K57 VanDerWaalsContact O-CG 3.29Å; E53-K57 WeakPolarHBondContact O-CG 3.26Å; E53-K57 PolarHBondContact O-N 3.17Å; G54-K57 PolarHBondContact O-N 2.97Å; I55-K57 VanDerWaalsContact C-N 3.33Å; I55-K57 PolarHBondContact O-N 2.97Å; K57-F60 PolarHBondContact O-N 2.96Å; K57-A61 WeakPolarHBondContact O-CB 3.37Å; K57-A61 PolarHBondContact O-N 2.65Å; K57-D109 IonicContact NZ-OD2 3.56Å; K57-D109 PolarHBondContact NZ-OD2 2.89Å
58A97.6Very high94.6Very high18 Ų1855.1 Ų55.115%0.14929%0.287CS..Hα-helixtrans-63.3-43.1-177.900000112.3G54 I55 L62 L107 I110G54-A58 WeakPolarHBondContact O-CB 3.37Å; G54-A58 PolarHBondContact O-N 3.41Å; I55-A58 PolarHBondContact O-N 2.76Å; A58-L62 WeakPolarHBondContact O-CB 3.48Å; A58-L62 PolarHBondContact O-N 3Å; A58-L107 HydrophobicContact CB-CD2 4.33Å; A58-I110 HydrophobicContact CB-CD1 4.36Å
59V97.1Very high94.7Very high73 Ų7346.5 Ų46.544%0.44226%0.255SS..Hα-helixtrans-66.2-47.8178.31710000111I55 I56 A61 L62 I63I55-V59 HydrophobicContact CG2-CG2 4.09Å; I55-V59 WeakPolarHBondContact O-CB 3.34Å; I55-V59 VanDerWaalsContact O-CG2 3.31Å; I55-V59 WeakPolarHBondContact O-CG2 3.44Å; I55-V59 PolarHBondContact O-N 3.17Å; I56-V59 PolarHBondContact O-N 3.27Å; V59-A61 PolarHBondContact O-N 3.4Å; V59-L62 PolarHBondContact O-N 3.5Å; V59-I63 HydrophobicContact CG1-CD1 3.82Å; V59-I63 HydrophobicContact CG1-CG1 4.47Å; V59-I63 VanDerWaalsContact O-CG1 3.32Å; V59-I63 WeakPolarHBondContact O-CG1 3.28Å; V59-I63 PolarHBondContact O-N 2.92Å
60F94.6Very high94.7Very high92 Ų9248.8 Ų48.840%0.40426%0.262SS..Hα-helixtrans-65.3-38.7178.6-82.9-61.9000112.6F13 I56 K57 I63 G64F13-F60 AromaticContact CE1-CD1 3.46Å; F13-F60 HydrophobicContact CE1-CD1 3.46Å; F13-F60 VanDerWaalsContact CE1-CD1 3.46Å; F13-F60 AromaticContact CE1-CD2 4Å; F13-F60 HydrophobicContact CE1-CD2 4Å; F13-F60 AromaticContact CE1-CE1 3.41Å; F13-F60 HydrophobicContact CE1-CE1 3.41Å; F13-F60 VanDerWaalsContact CE1-CE1 3.41Å; F13-F60 AromaticContact CE1-CE2 3.94Å; F13-F60 HydrophobicContact CE1-CE2 3.94Å; F13-F60 AromaticContact CE1-CG 3.78Å; F13-F60 HydrophobicContact CE1-CG 3.78Å; F13-F60 AromaticContact CE1-CZ 3.66Å; F13-F60 HydrophobicContact CE1-CZ 3.66Å; F13-F60 AromaticContact CZ-CD1 3.49Å; F13-F60 HydrophobicContact CZ-CD1 3.49Å; F13-F60 VanDerWaalsContact CZ-CD1 3.49Å; F13-F60 AromaticContact CZ-CE1 3.54Å; F13-F60 HydrophobicContact CZ-CE1 3.54Å; F13-F60 HydrophobicContact CZ-CG 4.2Å; F13-F60 HydrophobicContact CZ-CZ 4.24Å; I56-F60 HydrophobicContact CG2-CD2 3.55Å; I56-F60 HydrophobicContact CG2-CE2 3.66Å; I56-F60 WeakPolarHBondContact O-CB 3.41Å; I56-F60 WeakPolarHBondContact O-CD2 3.16Å; I56-F60 PolarHBondContact O-N 3.4Å; K57-F60 PolarHBondContact O-N 2.96Å; F60-I63 PolarHBondContact O-N 2.97Å; F60-G64 PolarHBondContact O-N 3.41Å
61A96.6Very high94.4Very high4 Ų450.9 Ų50.93%0.03328%0.276CS..Hα-helixtrans-59.2-46.6172.600000111.5K57 V59 G64 M65 Y99 G103K57-A61 WeakPolarHBondContact O-CB 3.37Å; K57-A61 PolarHBondContact O-N 2.65Å; V59-A61 PolarHBondContact O-N 3.4Å; A61-G64 PolarHBondContact O-N 3.48Å; A61-M65 WeakPolarHBondContact O-CG 3.48Å; A61-M65 PolarHBondContact O-N 2.92Å; A61-Y99 VanDerWaalsContact CB-O 3.24Å; A61-Y99 WeakPolarHBondContact CB-O 3.16Å; A61-G103 VanDerWaalsContact CB-CA 3.42Å
62L96.4Very high93.9Very high107 Ų10753.1 Ų53.156%0.5630%0.297SS*.Hα-helixtrans-62.2-45.6177.8-179.262.8000111.8A58 V59 G64 M65 V66A58-L62 WeakPolarHBondContact O-CB 3.48Å; A58-L62 PolarHBondContact O-N 3Å; V59-L62 PolarHBondContact O-N 3.5Å; L62-G64 VanDerWaalsContact C-N 3.31Å; L62-G64 PolarHBondContact O-N 2.89Å; L62-M65 PolarHBondContact O-N 3.34Å; L62-V66 HydrophobicContact CD1-CG2 4.32Å; L62-V66 WeakPolarHBondContact O-CG2 3.48Å; L62-V66 PolarHBondContact O-N 2.89Å
63I94.6Very high93.4Very high98 Ų9855.6 Ų55.650%0.50331%0.308SS..Hα-helixtrans-58.8-45.8175.5-68.2167.6000110.2V59 F60 V66 A67V59-I63 HydrophobicContact CG1-CD1 3.82Å; V59-I63 HydrophobicContact CG1-CG1 4.47Å; V59-I63 VanDerWaalsContact O-CG1 3.32Å; V59-I63 WeakPolarHBondContact O-CG1 3.28Å; V59-I63 PolarHBondContact O-N 2.92Å; F60-I63 PolarHBondContact O-N 2.97Å; I63-V66 PolarHBondContact O-N 2.99Å; I63-A67 VanDerWaalsContact O-CB 3.25Å; I63-A67 WeakPolarHBondContact O-CB 3.39Å; I63-A67 PolarHBondContact O-N 3.29Å
64G92.4Very high92.9Very high9 Ų955.7 Ų55.79%0.09331%0.31CS..Hα-helixtrans-59.8-46.3177.300000112.5F60 A61 L62 A67 E68 Y99F60-G64 PolarHBondContact O-N 3.41Å; A61-G64 PolarHBondContact O-N 3.48Å; L62-G64 VanDerWaalsContact C-N 3.31Å; L62-G64 PolarHBondContact O-N 2.89Å; G64-A67 PolarHBondContact O-N 3.26Å; G64-E68 WeakPolarHBondContact O-CB 3.42Å; G64-E68 VanDerWaalsContact O-CG 3.29Å; G64-E68 WeakPolarHBondContact O-CG 3.38Å; G64-E68 PolarHBondContact O-N 3.2Å; G64-Y99 VanDerWaalsContact C-CD2 3.43Å
65M93.9Very high92.6Very high56 Ų5655.9 Ų55.928%0.27631%0.311SS..Hα-helixtrans-60.6-47.3175.7-71178.968.600112A61 L62 E68 Q69 L100A61-M65 WeakPolarHBondContact O-CG 3.48Å; A61-M65 PolarHBondContact O-N 2.92Å; L62-M65 PolarHBondContact O-N 3.34Å; M65-E68 PolarHBondContact O-N 2.92Å; M65-Q69 WeakPolarHBondContact O-CB 3.41Å; M65-Q69 VanDerWaalsContact O-CG 3.25Å; M65-Q69 WeakPolarHBondContact O-CG 3.4Å; M65-Q69 PolarHBondContact O-N 3.21Å; M65-Q69 VanDerWaalsContact O-N 3.08Å; M65-L100 HydrophobicContact CE-CB 4.21Å; M65-L100 HydrophobicContact CE-CD1 4.22Å; M65-L100 HydrophobicContact SD-CB 4.02Å; M65-L100 HydrophobicContact SD-CD1 4.29Å
66V94.1Very high92.3Very high72 Ų7257.4 Ų57.444%0.43632%0.317SS..Hα-helixtrans-63.5-44.2179170.60000110.6L62 I63 Q69 F70L62-V66 HydrophobicContact CD1-CG2 4.32Å; L62-V66 WeakPolarHBondContact O-CG2 3.48Å; L62-V66 PolarHBondContact O-N 2.89Å; I63-V66 PolarHBondContact O-N 2.99Å; V66-Q69 PolarHBondContact O-N 2.92Å; V66-F70 HydrophobicContact CB-CD2 4.49Å; V66-F70 HydrophobicContact CG1-CD2 4.03Å; V66-F70 WeakPolarHBondContact O-CB 3.46Å; V66-F70 WeakPolarHBondContact O-CD2 3.49Å; V66-F70 PolarHBondContact O-N 2.98Å
67A90.7Very high92.1Very high54 Ų5459.7 Ų59.745%0.44633%0.329SS..Hα-helixtrans-63.3-43.5178.900000112.1I63 G64 Q69 V71I63-A67 VanDerWaalsContact O-CB 3.25Å; I63-A67 WeakPolarHBondContact O-CB 3.39Å; I63-A67 PolarHBondContact O-N 3.29Å; G64-A67 PolarHBondContact O-N 3.26Å; A67-Q69 VanDerWaalsContact C-N 3.28Å; A67-Q69 PolarHBondContact O-N 2.06Å; A67-V71 WeakPolarHBondContact O-CB 3.32Å; A67-V71 PolarHBondContact O-N 3.35Å
68E90.9Very high91.8Very high26 Ų2663.1 Ų63.112%0.12134%0.344CS..Hα-helixtrans-66.6-29.9177.4-70.7-69.3176.300112.7G64 M65 P75 N92 H95 Y99G64-E68 WeakPolarHBondContact O-CB 3.42Å; G64-E68 VanDerWaalsContact O-CG 3.29Å; G64-E68 WeakPolarHBondContact O-CG 3.38Å; G64-E68 PolarHBondContact O-N 3.2Å; M65-E68 PolarHBondContact O-N 2.92Å; E68-P75 VanDerWaalsContact O-CD 3.29Å; E68-P75 WeakPolarHBondContact O-CD 3.42Å; E68-N92 HydrophobicContact CB-CB 4.46Å; E68-N92 PolarHBondContact OE2-ND2 2.92Å; E68-H95 HydrophobicContact CG-CB 3.82Å; E68-H95 WeakPolarHBondContact OE1-CB 3.28Å; E68-H95 IonicContact OE1-CE1 3.72Å; E68-H95 IonicContact OE1-CG 3.09Å; E68-H95 IonicContact OE1-ND1 3.83Å; E68-H95 PolarHBondContact OE1-ND1 3.12Å; E68-H95 IonicContact OE2-ND1 3.37Å; E68-Y99 HydrophobicContact CG-CD2 4.13Å; E68-Y99 HydrophobicContact CG-CE2 3.66Å
69Q91.7Very high91.5Very high9 Ų965.9 Ų65.94%0.04236%0.356CS..Hα-helixtrans-88.1-35.4-178.2-68.7-61.3-55.700113.9M65 V66 A67 H76 L77M65-Q69 WeakPolarHBondContact O-CB 3.41Å; M65-Q69 VanDerWaalsContact O-CG 3.25Å; M65-Q69 WeakPolarHBondContact O-CG 3.4Å; M65-Q69 PolarHBondContact O-N 3.21Å; M65-Q69 VanDerWaalsContact O-N 3.08Å; V66-Q69 PolarHBondContact O-N 2.92Å; A67-Q69 VanDerWaalsContact C-N 3.28Å; A67-Q69 PolarHBondContact O-N 2.06Å; Q69-H76 WeakPolarHBondContact O-CA 3.24Å; Q69-H76 PolarHBondContact O-N 3.18Å; Q69-L77 HydrophobicContact CB-CD2 4.47Å; Q69-L77 HydrophobicContact CG-CD2 4.28Å
70F91.9Very high91.3Very high104 Ų10465.4 Ų65.446%0.45635%0.347SS..Hα-helixtrans-12412.1-165.1-58.5-74.5000114.7V66 L77V66-F70 HydrophobicContact CB-CD2 4.49Å; V66-F70 HydrophobicContact CG1-CD2 4.03Å; V66-F70 WeakPolarHBondContact O-CB 3.46Å; V66-F70 WeakPolarHBondContact O-CD2 3.49Å; V66-F70 PolarHBondContact O-N 2.98Å; F70-L77 HydrophobicContact CE1-CD1 4.37Å; F70-L77 HydrophobicContact CE1-CG 4.09Å; F70-L77 HydrophobicContact CE2-CD2 4.49Å; F70-L77 HydrophobicContact CZ-CD1 3.92Å; F70-L77 HydrophobicContact CZ-CD2 3.96Å; F70-L77 HydrophobicContact CZ-CG 3.76Å
71V87Confident91.1Very high53 Ų5361.6 Ų61.632%0.32133%0.331SS..SBendtrans-59.2151.3161720000108.9A67 D73 G74 H76A67-V71 WeakPolarHBondContact O-CB 3.32Å; A67-V71 PolarHBondContact O-N 3.35Å; V71-D73 PolarHBondContact O-N 3.39Å; V71-G74 WeakPolarHBondContact O-CA 3.25Å; V71-G74 PolarHBondContact O-N 3Å; V71-H76 PolarHBondContact O-CE1 3.25Å
72P84.8Confident90.8Very high113 Ų11370.5 Ų70.573%0.73437%0.365SS*.THydrogen-bonded Turntrans-50.8-34-176-33.137.8000115
73D83.8Confident90.6Very high124 Ų12473.5 Ų73.566%0.66338%0.376SS*.THydrogen-bonded Turntrans-96.922.9177.2-53.6-42.5000113.1V71 H89V71-D73 PolarHBondContact O-N 3.39Å; D73-H89 PolarHBondContact O-CD2 3.28Å; D73-H89 VanDerWaalsContact O-CD2 3.31Å; D73-H89 PolarHBondContact O-NE2 3.34Å
74G85.9Confident90.3Very high8 Ų874.8 Ų74.88%0.08238%0.38CS..SBendtrans-89.9167.4-178.100000113.7V71 H76V71-G74 WeakPolarHBondContact O-CA 3.25Å; V71-G74 PolarHBondContact O-N 3Å; G74-H76 VanDerWaalsContact C-N 3.26Å; G74-H76 PolarHBondContact O-N 3.04Å; G74-H76 PolarHBondContact O-ND1 3.37Å
75P89.9Confident90.2Very high4 Ų482.3 Ų82.33%0.02641%0.41CS..  trans-66.5-18.5178.222.1-30000114.7E68 L77 K78 H89 N92E68-P75 VanDerWaalsContact O-CD 3.29Å; E68-P75 WeakPolarHBondContact O-CD 3.42Å; P75-L77 VanDerWaalsContact C-N 3.26Å; P75-L77 PolarHBondContact O-N 3.01Å; P75-K78 VanDerWaalsContact CB-O 3.27Å; P75-K78 WeakPolarHBondContact CB-O 3.29Å; P75-K78 WeakPolarHBondContact O-CA 3.33Å; P75-K78 WeakPolarHBondContact O-CB 3.19Å; P75-K78 PolarHBondContact O-N 3.05Å; P75-H89 HydrophobicContact CB-CB 4.03Å; P75-H89 HydrophobicContact CG-CB 4.23Å; P75-N92 HydrophobicContact CG-CB 4.24Å
76H91.5Very high90.1Very high101 Ų10183.4 Ų83.447%0.46841%0.414SS..THydrogen-bonded Turntrans49.844.5-176.8-63.880.2000113.2Q69 V71 G74 K78Q69-H76 WeakPolarHBondContact O-CA 3.24Å; Q69-H76 PolarHBondContact O-N 3.18Å; V71-H76 PolarHBondContact O-CE1 3.25Å; G74-H76 VanDerWaalsContact C-N 3.26Å; G74-H76 PolarHBondContact O-N 3.04Å; G74-H76 PolarHBondContact O-ND1 3.37Å; H76-K78 PolarHBondContact O-N 3.37Å
77L91.4Very high89.9Confident113 Ų11387.2 Ų87.259%0.59242%0.421SS*.THydrogen-bonded Turntrans65.98.2-175.4-50.2176.1000115.6Q69 F70 P75Q69-L77 HydrophobicContact CB-CD2 4.47Å; Q69-L77 HydrophobicContact CG-CD2 4.28Å; F70-L77 HydrophobicContact CE1-CD1 4.37Å; F70-L77 HydrophobicContact CE1-CG 4.09Å; F70-L77 HydrophobicContact CE2-CD2 4.49Å; F70-L77 HydrophobicContact CZ-CD1 3.92Å; F70-L77 HydrophobicContact CZ-CD2 3.96Å; F70-L77 HydrophobicContact CZ-CG 3.76Å; P75-L77 VanDerWaalsContact C-N 3.26Å; P75-L77 PolarHBondContact O-N 3.01Å
78K91.7Very high89.8Confident87 Ų8785.7 Ų85.738%0.37841%0.405SS..  trans-84.2116.4169.9-167.2176.8172.8-171.90109.3P75 H76 Y80 N81 D88 W93P75-K78 VanDerWaalsContact CB-O 3.27Å; P75-K78 WeakPolarHBondContact CB-O 3.29Å; P75-K78 WeakPolarHBondContact O-CA 3.33Å; P75-K78 WeakPolarHBondContact O-CB 3.19Å; P75-K78 PolarHBondContact O-N 3.05Å; H76-K78 PolarHBondContact O-N 3.37Å; K78-Y80 WeakPolarHBondContact CE-O 3.17Å; K78-N81 VanDerWaalsContact NZ-CG 3.35Å; K78-N81 PolarHBondContact NZ-OD1 2.95Å; K78-N81 VanDerWaalsContact NZ-OD1 3.08Å; K78-D88 WeakPolarHBondContact CD-OD2 3.34Å; K78-W93 PolarHBondContact O-NE1 3.48Å; K78-W93 VanDerWaalsContact O-NE1 3.14Å
79L91.2Very high89.7Confident77 Ų7788.4 Ų88.440%0.40342%0.418SS..  trans-91-34178-179.962.3000112.5W87 D88 W93L79-W87 HydrophobicContact CD1-CE3 4.5Å; L79-W87 HydrophobicContact CD2-CZ3 4.28Å; L79-W87 HydrophobicContact CG-CE3 4.22Å; L79-W87 HydrophobicContact CG-CZ3 4.11Å; L79-D88 PolarHBondContact O-N 3.14Å; L79-W93 HydrophobicContact CB-CZ2 4.05Å; L79-W93 HydrophobicContact CD1-CB 4.37Å; L79-W93 HydrophobicContact CD1-CD2 3.7Å; L79-W93 HydrophobicContact CD1-CE3 4.41Å; L79-W93 HydrophobicContact CD1-CG 3.65Å; L79-W93 HydrophobicContact CD1-CZ2 4.38Å
80Y92.9Very high89.5Confident62 Ų6291.6 Ų91.624%0.24344%0.435CS..EExtended strand (participates in β ladder)trans-134.6133.3-174.8-168.2-97.9000110K78 Y82 K85 H86 W87K78-Y80 WeakPolarHBondContact CE-O 3.17Å; Y80-Y82 AromaticContact CD1-CD1 3.67Å; Y80-Y82 HydrophobicContact CD1-CD1 3.67Å; Y80-Y82 HydrophobicContact CD1-CD2 4.08Å; Y80-Y82 AromaticContact CD1-CE1 3.77Å; Y80-Y82 HydrophobicContact CD1-CE1 3.77Å; Y80-Y82 HydrophobicContact CD1-CE2 4.17Å; Y80-Y82 AromaticContact CD1-CG 3.83Å; Y80-Y82 HydrophobicContact CD1-CG 3.83Å; Y80-Y82 AromaticContact CE1-CD1 3.86Å; Y80-Y82 HydrophobicContact CE1-CD1 3.86Å; Y80-Y82 HydrophobicContact CE1-CE1 4.16Å; Y80-Y82 HydrophobicContact CE1-CG 4.28Å; Y80-Y82 PolarHBondContact O-N 3.42Å; Y80-K85 VanDerWaalsContact OH-CA 3.27Å; Y80-K85 WeakPolarHBondContact OH-CA 3.4Å; Y80-K85 PolarHBondContact OH-O 3.27Å; Y80-H86 WeakPolarHBondContact CD2-O 3.25Å; Y80-H86 VanDerWaalsContact CE2-C 3.42Å; Y80-H86 WeakPolarHBondContact CE2-O 3.39Å; Y80-W87 AromaticContact CD2-CD2 3.85Å; Y80-W87 HydrophobicContact CD2-CD2 3.85Å; Y80-W87 AromaticContact CD2-CE3 3.69Å; Y80-W87 HydrophobicContact CD2-CE3 3.69Å; Y80-W87 HydrophobicContact CD2-CG 4.38Å; Y80-W87 HydrophobicContact CD2-CH2 4.42Å; Y80-W87 AromaticContact CD2-CZ3 3.99Å; Y80-W87 HydrophobicContact CD2-CZ3 3.99Å; Y80-W87 HydrophobicContact CE2-CD2 4.29Å
81N90.1Very high89.3Confident12 Ų1289.8 Ų89.86%0.06443%0.429CS..EExtended strand (participates in β ladder)trans-90.799.4172.5-166.2-5.9000109K78 E83 E84 K85 H86K78-N81 VanDerWaalsContact NZ-CG 3.35Å; K78-N81 PolarHBondContact NZ-OD1 2.95Å; K78-N81 VanDerWaalsContact NZ-OD1 3.08Å; N81-E83 PolarHBondContact O-N 2.99Å; N81-E83 PolarHBondContact OD1-N 3.39Å; N81-E84 HydrophobicContact CB-CB 4.32Å; N81-E84 VanDerWaalsContact ND2-CD 3.32Å; N81-E84 WeakPolarHBondContact ND2-CG 3.39Å; N81-E84 PolarHBondContact ND2-OE1 3.44Å; N81-E84 PolarHBondContact O-N 2.88Å; N81-K85 VanDerWaalsContact O-CA 3.3Å; N81-K85 WeakPolarHBondContact O-CA 3.44Å; N81-K85 PolarHBondContact O-N 3.26Å; N81-H86 PolarHBondContact N-O 3.02Å; N81-H86 PolarHBondContact O-N 3.41Å
82Y90.7Very high89.4Confident191 Ų19187.8 Ų87.875%0.74942%0.416SS*.THydrogen-bonded Turntrans-66.9-24.6-179.9-72.5-80.3000113.4Y80Y80-Y82 AromaticContact CD1-CD1 3.67Å; Y80-Y82 HydrophobicContact CD1-CD1 3.67Å; Y80-Y82 HydrophobicContact CD1-CD2 4.08Å; Y80-Y82 AromaticContact CD1-CE1 3.77Å; Y80-Y82 HydrophobicContact CD1-CE1 3.77Å; Y80-Y82 HydrophobicContact CD1-CE2 4.17Å; Y80-Y82 AromaticContact CD1-CG 3.83Å; Y80-Y82 HydrophobicContact CD1-CG 3.83Å; Y80-Y82 AromaticContact CE1-CD1 3.86Å; Y80-Y82 HydrophobicContact CE1-CD1 3.86Å; Y80-Y82 HydrophobicContact CE1-CE1 4.16Å; Y80-Y82 HydrophobicContact CE1-CG 4.28Å; Y80-Y82 PolarHBondContact O-N 3.42Å
83E90.6Very high89.8Confident171 Ų17185.2 Ų85.280%0.79939%0.391SS*.THydrogen-bonded Turntrans-72.9-48.2177.3-63-179.7175.800110.8N81N81-E83 PolarHBondContact O-N 2.99Å; N81-E83 PolarHBondContact OD1-N 3.39Å
84E88.6Confident90.2Very high125 Ų12581.5 Ų81.558%0.58437%0.37SS*.THydrogen-bonded Turntrans-89-4.9-179-64.5-178.3-14500113.8N81 H86N81-E84 HydrophobicContact CB-CB 4.32Å; N81-E84 VanDerWaalsContact ND2-CD 3.32Å; N81-E84 WeakPolarHBondContact ND2-CG 3.39Å; N81-E84 PolarHBondContact ND2-OE1 3.44Å; N81-E84 PolarHBondContact O-N 2.88Å; E84-H86 VanDerWaalsContact C-N 3.29Å; E84-H86 PolarHBondContact O-N 3.4Å; E84-H86 IonicContact OE2-CE1 2.71Å; E84-H86 PolarHBondContact OE2-CE1 3.28Å; E84-H86 IonicContact OE2-ND1 2.95Å; E84-H86 IonicContact OE2-NE2 3.98Å; E84-H86 PolarHBondContact OE2-NE2 2.9Å
85K91.1Very high90.4Very high166 Ų16682.4 Ų82.472%0.72237%0.372SS*.THydrogen-bonded Turntrans53.540.2-179.8-58.8-178.6-179.2177.30114Y80 N81Y80-K85 VanDerWaalsContact OH-CA 3.27Å; Y80-K85 WeakPolarHBondContact OH-CA 3.4Å; Y80-K85 PolarHBondContact OH-O 3.27Å; N81-K85 VanDerWaalsContact O-CA 3.3Å; N81-K85 WeakPolarHBondContact O-CA 3.44Å; N81-K85 PolarHBondContact O-N 3.26Å
86H91Very high90.6Very high79 Ų7982.5 Ų82.537%0.36637%0.373SS..EExtended strand (participates in β ladder)trans-133.2168.5175.666.3-161.7000112.5Y80 N81 E84Y80-H86 WeakPolarHBondContact CD2-O 3.25Å; Y80-H86 VanDerWaalsContact CE2-C 3.42Å; Y80-H86 WeakPolarHBondContact CE2-O 3.39Å; N81-H86 PolarHBondContact N-O 3.02Å; N81-H86 PolarHBondContact O-N 3.41Å; E84-H86 VanDerWaalsContact C-N 3.29Å; E84-H86 PolarHBondContact O-N 3.4Å; E84-H86 IonicContact OE2-CE1 2.71Å; E84-H86 PolarHBondContact OE2-CE1 3.28Å; E84-H86 IonicContact OE2-ND1 2.95Å; E84-H86 IonicContact OE2-NE2 3.98Å; E84-H86 PolarHBondContact OE2-NE2 2.9Å
87W91.1Very high90.8Very high153 Ų15380.2 Ų80.258%0.5837%0.366SS*.EExtended strand (participates in β ladder)trans-73.7137.4170.9-60.7103.3000110.5L79 Y80 L90L79-W87 HydrophobicContact CD1-CE3 4.5Å; L79-W87 HydrophobicContact CD2-CZ3 4.28Å; L79-W87 HydrophobicContact CG-CE3 4.22Å; L79-W87 HydrophobicContact CG-CZ3 4.11Å; Y80-W87 AromaticContact CD2-CD2 3.85Å; Y80-W87 HydrophobicContact CD2-CD2 3.85Å; Y80-W87 AromaticContact CD2-CE3 3.69Å; Y80-W87 HydrophobicContact CD2-CE3 3.69Å; Y80-W87 HydrophobicContact CD2-CG 4.38Å; Y80-W87 HydrophobicContact CD2-CH2 4.42Å; Y80-W87 AromaticContact CD2-CZ3 3.99Å; Y80-W87 HydrophobicContact CD2-CZ3 3.99Å; Y80-W87 HydrophobicContact CE2-CD2 4.29Å; W87-L90 HydrophobicContact CB-CB 4.31Å; W87-L90 HydrophobicContact CB-CD1 4.37Å; W87-L90 HydrophobicContact CB-CD2 4.43Å
88D87.8Confident91Very high21 Ų2175.7 Ų75.711%0.11234%0.343CS..SBendtrans-98.8122.1-175.7-165.616.6000110.3K78 L79 L90K78-D88 WeakPolarHBondContact CD-OD2 3.34Å; L79-D88 PolarHBondContact O-N 3.14Å; D88-L90 PolarHBondContact O-N 2.86Å
89H88.5Confident91.2Very high83 Ų8373.8 Ų73.838%0.38433%0.333SS..SBendtrans44.544.6176.7-64.178.8000114.3D73 P75 M91 N92 W93D73-H89 PolarHBondContact O-CD2 3.28Å; D73-H89 VanDerWaalsContact O-CD2 3.31Å; D73-H89 PolarHBondContact O-NE2 3.34Å; P75-H89 HydrophobicContact CB-CB 4.03Å; P75-H89 HydrophobicContact CG-CB 4.23Å; H89-M91 PolarHBondContact O-N 3.16Å; H89-N92 HydrophobicContact CB-CB 4.34Å; H89-N92 WeakPolarHBondContact O-CB 3.22Å; H89-N92 PolarHBondContact O-N 3.25Å; H89-W93 PolarHBondContact O-N 3.24Å
90L89Confident91.5Very high77 Ų7773.8 Ų73.840%0.40333%0.333SS..Hα-helixtrans-56.4-26.6-172.4-166.766000113.2W87 D88 W93 Q94W87-L90 HydrophobicContact CB-CB 4.31Å; W87-L90 HydrophobicContact CB-CD1 4.37Å; W87-L90 HydrophobicContact CB-CD2 4.43Å; D88-L90 PolarHBondContact O-N 2.86Å; L90-W93 WeakPolarHBondContact O-CB 3.38Å; L90-W93 PolarHBondContact O-N 3.39Å; L90-Q94 WeakPolarHBondContact O-CG 3.43Å; L90-Q94 PolarHBondContact O-N 3.25Å
91M86.5Confident91.7Very high66 Ų6673.6 Ų73.633%0.32533%0.334SS..Hα-helixtrans-61.6-46.5174.4-166.459.577.400113H89 W93 Q94 H95 H141H89-M91 PolarHBondContact O-N 3.16Å; M91-W93 VanDerWaalsContact C-N 3.26Å; M91-W93 PolarHBondContact O-N 3.46Å; M91-Q94 PolarHBondContact O-N 3.2Å; M91-H95 PolarHBondContact O-N 3.49Å; M91-H95 VanDerWaalsContact O-N 3.08Å; M91-H141 WeakPolarHBondContact CE-CE1 3.26Å; M91-H141 VanDerWaalsContact CE-ND1 3.27Å; M91-H141 WeakPolarHBondContact CE-ND1 3.41Å; M91-H141 PolarHBondContact SD-CE1 3.28Å; M91-H141 PolarHBondContact SD-ND1 2.86Å
92N90.3Very high92.1Very high10 Ų1074.7 Ų74.75%0.05334%0.337CS..Hα-helixtrans-65.1-34.5177.3-59.383.9000110.6E68 P75 H89 H95 A96E68-N92 HydrophobicContact CB-CB 4.46Å; E68-N92 PolarHBondContact OE2-ND2 2.92Å; P75-N92 HydrophobicContact CG-CB 4.24Å; H89-N92 HydrophobicContact CB-CB 4.34Å; H89-N92 WeakPolarHBondContact O-CB 3.22Å; H89-N92 PolarHBondContact O-N 3.25Å; N92-H95 PolarHBondContact O-N 3.49Å; N92-A96 VanDerWaalsContact O-CB 3.32Å; N92-A96 WeakPolarHBondContact O-CB 3.28Å; N92-A96 PolarHBondContact O-N 3.19Å
93W92.1Very high92.5Very high59 Ų5966 Ų6622%0.22331%0.306CS..Hα-helixtrans-66.8-39.1173.2-80.1104.8000113.4K78 L79 H89 L90 M91 A96 T97K78-W93 PolarHBondContact O-NE1 3.48Å; K78-W93 VanDerWaalsContact O-NE1 3.14Å; L79-W93 HydrophobicContact CB-CZ2 4.05Å; L79-W93 HydrophobicContact CD1-CB 4.37Å; L79-W93 HydrophobicContact CD1-CD2 3.7Å; L79-W93 HydrophobicContact CD1-CE3 4.41Å; L79-W93 HydrophobicContact CD1-CG 3.65Å; L79-W93 HydrophobicContact CD1-CZ2 4.38Å; H89-W93 PolarHBondContact O-N 3.24Å; L90-W93 WeakPolarHBondContact O-CB 3.38Å; L90-W93 PolarHBondContact O-N 3.39Å; M91-W93 VanDerWaalsContact C-N 3.26Å; M91-W93 PolarHBondContact O-N 3.46Å; W93-A96 PolarHBondContact O-N 3.28Å; W93-T97 WeakPolarHBondContact O-CB 3.42Å; W93-T97 PolarHBondContact O-N 3.09Å; W93-T97 PolarHBondContact O-OG1 2.87Å
94Q92.1Very high92.8Very high47 Ų4761.1 Ų61.122%0.2229%0.285CS..Hα-helixtrans-62-44.5172.4-71.9-175.12.600111.1L90 M91 T97 M98 L137L90-Q94 WeakPolarHBondContact O-CG 3.43Å; L90-Q94 PolarHBondContact O-N 3.25Å; M91-Q94 PolarHBondContact O-N 3.2Å; Q94-T97 WeakPolarHBondContact O-CB 3.45Å; Q94-T97 PolarHBondContact O-N 3.36Å; Q94-M98 PolarHBondContact O-N 3.45Å; Q94-L137 HydrophobicContact CG-CD2 4.49Å
95H91.1Very high93.3Very high27 Ų2755.1 Ų55.113%0.12526%0.257CS..Hα-helixtrans-64-45.1175.8-69.9-167.8000112.7M1 E68 M91 N92 T97 M98 Y99M1-H95 PolarHBondContact N-CE1 2.93Å; E68-H95 HydrophobicContact CG-CB 3.82Å; E68-H95 WeakPolarHBondContact OE1-CB 3.28Å; E68-H95 IonicContact OE1-CE1 3.72Å; E68-H95 IonicContact OE1-CG 3.09Å; E68-H95 IonicContact OE1-ND1 3.83Å; E68-H95 PolarHBondContact OE1-ND1 3.12Å; E68-H95 IonicContact OE2-ND1 3.37Å; M91-H95 PolarHBondContact O-N 3.49Å; M91-H95 VanDerWaalsContact O-N 3.08Å; N92-H95 PolarHBondContact O-N 3.49Å; H95-T97 PolarHBondContact O-N 3.21Å; H95-M98 WeakPolarHBondContact O-CB 3.28Å; H95-M98 PolarHBondContact O-N 3.08Å; H95-M98 VanDerWaalsContact O-N 3.15Å; H95-Y99 HydrophobicContact CB-CE2 4.24Å; H95-Y99 WeakPolarHBondContact O-CD2 3.35Å; H95-Y99 PolarHBondContact O-N 3.32Å
96A94Very high93.6Very high5 Ų547.2 Ų47.24%0.04122%0.223CC..Hα-helixtrans-59.8-37.7175.700000111.6N92 W93 Y99 L100N92-A96 VanDerWaalsContact O-CB 3.32Å; N92-A96 WeakPolarHBondContact O-CB 3.28Å; N92-A96 PolarHBondContact O-N 3.19Å; W93-A96 PolarHBondContact O-N 3.28Å; A96-Y99 PolarHBondContact O-N 3.37Å; A96-L100 WeakPolarHBondContact O-CB 3.27Å; A96-L100 PolarHBondContact O-N 3.25Å
97T95.3Very high93.9Very high53 Ų5348.3 Ų48.333%0.32523%0.23SC..Hα-helixtrans-65-45.7174-56.40000111.1W93 Q94 H95 Y99 L100 F101 L137W93-T97 WeakPolarHBondContact O-CB 3.42Å; W93-T97 PolarHBondContact O-N 3.09Å; W93-T97 PolarHBondContact O-OG1 2.87Å; Q94-T97 WeakPolarHBondContact O-CB 3.45Å; Q94-T97 PolarHBondContact O-N 3.36Å; H95-T97 PolarHBondContact O-N 3.21Å; T97-Y99 PolarHBondContact O-N 2.87Å; T97-L100 WeakPolarHBondContact O-CB 3.41Å; T97-L100 PolarHBondContact O-N 3.26Å; T97-F101 HydrophobicContact CG2-CD2 4.29Å; T97-F101 HydrophobicContact CG2-CE2 4.1Å; T97-F101 WeakPolarHBondContact O-CD2 3.38Å; T97-F101 PolarHBondContact O-N 2.64Å; T97-L137 HydrophobicContact CG2-CD1 4.13Å
98M95.1Very high94.1Very high19 Ų1942 Ų429%0.09421%0.209CC..Hα-helixtrans-57.6-49174.7-179-1736900111.3Q94 H95 L100 F101 Y102 E134 L137 F138Q94-M98 PolarHBondContact O-N 3.45Å; H95-M98 WeakPolarHBondContact O-CB 3.28Å; H95-M98 PolarHBondContact O-N 3.08Å; H95-M98 VanDerWaalsContact O-N 3.15Å; M98-L100 VanDerWaalsContact C-N 3.32Å; M98-L100 PolarHBondContact O-N 2.9Å; M98-F101 PolarHBondContact O-N 2.87Å; M98-Y102 HydrophobicContact CG-CD2 4.14Å; M98-Y102 HydrophobicContact CG-CE2 3.91Å; M98-Y102 WeakPolarHBondContact O-CD2 3.46Å; M98-Y102 PolarHBondContact O-N 3.39Å; M98-E134 HydrophobicContact CG-CB 4.08Å; M98-E134 HydrophobicContact CG-CG 4.39Å; M98-E134 HydrophobicContact SD-CB 4.14Å; M98-E134 HydrophobicContact SD-CG 3.77Å; M98-L137 HydrophobicContact CB-CD1 4.09Å; M98-F138 HydrophobicContact SD-CE2 4.1Å
99Y96Very high94.5Very high46 Ų4641 Ų4118%0.1820%0.203CC..Hα-helixtrans-60-40.3176.9-68.5-52.2000112.4A61 G64 E68 H95 A96 T97 F101 Y102 G103A61-Y99 VanDerWaalsContact CB-O 3.24Å; A61-Y99 WeakPolarHBondContact CB-O 3.16Å; G64-Y99 VanDerWaalsContact C-CD2 3.43Å; E68-Y99 HydrophobicContact CG-CD2 4.13Å; E68-Y99 HydrophobicContact CG-CE2 3.66Å; H95-Y99 HydrophobicContact CB-CE2 4.24Å; H95-Y99 WeakPolarHBondContact O-CD2 3.35Å; H95-Y99 PolarHBondContact O-N 3.32Å; A96-Y99 PolarHBondContact O-N 3.37Å; T97-Y99 PolarHBondContact O-N 2.87Å; Y99-F101 VanDerWaalsContact C-N 3.31Å; Y99-F101 PolarHBondContact O-N 2.71Å; Y99-Y102 PolarHBondContact O-N 2.87Å; Y99-G103 PolarHBondContact O-N 2.82Å
100L97.4Very high94.9Very high77 Ų7739 Ų3940%0.40320%0.195SC..Hα-helixtrans-54.6-45.9176.5174.264.8000112M65 A96 T97 M98 G103 I104M65-L100 HydrophobicContact CE-CB 4.21Å; M65-L100 HydrophobicContact CE-CD1 4.22Å; M65-L100 HydrophobicContact SD-CB 4.02Å; M65-L100 HydrophobicContact SD-CD1 4.29Å; A96-L100 WeakPolarHBondContact O-CB 3.27Å; A96-L100 PolarHBondContact O-N 3.25Å; T97-L100 WeakPolarHBondContact O-CB 3.41Å; T97-L100 PolarHBondContact O-N 3.26Å; M98-L100 VanDerWaalsContact C-N 3.32Å; M98-L100 PolarHBondContact O-N 2.9Å; L100-G103 WeakPolarHBondContact O-CA 3.48Å; L100-G103 PolarHBondContact O-N 3.48Å; L100-G103 VanDerWaalsContact O-N 3.16Å; L100-I104 HydrophobicContact CD1-CD1 4.27Å; L100-I104 HydrophobicContact CD1-CG1 4.44Å; L100-I104 HydrophobicContact CG-CD1 4.14Å; L100-I104 WeakPolarHBondContact O-CG1 3.4Å; L100-I104 PolarHBondContact O-N 2.92Å
101F98.3Very high95.2Very high59 Ų5938 Ų3826%0.25919%0.192SC..Hα-helixtrans-68.3-37.3179.8-82.3-89.4000112.8T97 M98 Y99 G103 I104 S105 L129 A130 I133T97-F101 HydrophobicContact CG2-CD2 4.29Å; T97-F101 HydrophobicContact CG2-CE2 4.1Å; T97-F101 WeakPolarHBondContact O-CD2 3.38Å; T97-F101 PolarHBondContact O-N 2.64Å; M98-F101 PolarHBondContact O-N 2.87Å; Y99-F101 VanDerWaalsContact C-N 3.31Å; Y99-F101 PolarHBondContact O-N 2.71Å; F101-G103 VanDerWaalsContact C-N 3.3Å; F101-G103 PolarHBondContact O-N 2.95Å; F101-I104 PolarHBondContact O-N 3.45Å; F101-S105 PolarHBondContact O-N 2.97Å; F101-L129 HydrophobicContact CD1-CD2 4.46Å; F101-L129 HydrophobicContact CD1-CG 4.38Å; F101-L129 HydrophobicContact CE1-CD2 4.28Å; F101-L129 HydrophobicContact CE1-CG 4.44Å; F101-A130 HydrophobicContact CB-CB 4.1Å; F101-I133 HydrophobicContact CD1-CG1 4.03Å; F101-I133 HydrophobicContact CD2-CB 4.32Å; F101-I133 HydrophobicContact CD2-CG1 4.35Å; F101-I133 HydrophobicContact CD2-CG2 3.67Å; F101-I133 HydrophobicContact CE1-CG1 4.03Å; F101-I133 HydrophobicContact CE2-CG1 4.36Å; F101-I133 HydrophobicContact CE2-CG2 3.98Å; F101-I133 HydrophobicContact CG-CB 4.25Å; F101-I133 HydrophobicContact CG-CG1 4.19Å; F101-I133 HydrophobicContact CG-CG2 4.09Å; F101-I133 HydrophobicContact CZ-CD1 4.42Å; F101-I133 HydrophobicContact CZ-CG1 4.2Å
102Y97.7Very high95.6Very high34 Ų3435.1 Ų35.113%0.13318%0.179CC..Hα-helixtrans-64.7-35.1170.1-78.3-69.5000112.5M98 Y99 S105 G106 L127 A130 V131 E134M98-Y102 HydrophobicContact CG-CD2 4.14Å; M98-Y102 HydrophobicContact CG-CE2 3.91Å; M98-Y102 WeakPolarHBondContact O-CD2 3.46Å; M98-Y102 PolarHBondContact O-N 3.39Å; Y99-Y102 PolarHBondContact O-N 2.87Å; Y102-S105 PolarHBondContact O-N 2.71Å; Y102-G106 PolarHBondContact O-N 3.07Å; Y102-L127 HydrophobicContact CE1-CD1 4.48Å; Y102-A130 HydrophobicContact CD1-CB 3.9Å; Y102-A130 HydrophobicContact CE1-CB 4.05Å; Y102-A130 HydrophobicContact CG-CB 4.24Å; Y102-V131 HydrophobicContact CE1-CG2 4.15Å; Y102-E134 HydrophobicContact CE2-CB 4.27Å; Y102-E134 PolarHBondContact OH-OE2 2.83Å
103G97.9Very high95.7Very high10 Ų1035.5 Ų35.510%0.10318%0.18CC..Hα-helixtrans-62.9-47.4173.600000111.9A61 Y99 L100 F101 S105 G106 L107A61-G103 VanDerWaalsContact CB-CA 3.42Å; Y99-G103 PolarHBondContact O-N 2.82Å; L100-G103 WeakPolarHBondContact O-CA 3.48Å; L100-G103 PolarHBondContact O-N 3.48Å; L100-G103 VanDerWaalsContact O-N 3.16Å; F101-G103 VanDerWaalsContact C-N 3.3Å; F101-G103 PolarHBondContact O-N 2.95Å; G103-S105 VanDerWaalsContact C-N 3.33Å; G103-S105 PolarHBondContact O-N 3.34Å; G103-G106 PolarHBondContact O-N 3.39Å; G103-G106 VanDerWaalsContact O-N 3.13Å; G103-L107 WeakPolarHBondContact O-CG 3.3Å; G103-L107 PolarHBondContact O-N 3.35Å
104I98.1Very high95.6Very high67 Ų6734.9 Ų34.934%0.34419%0.192SC..Hα-helixtrans-58.9-44.6174.1-67.3166.7000110.5L100 F101 G106 L107 V108L100-I104 HydrophobicContact CD1-CD1 4.27Å; L100-I104 HydrophobicContact CD1-CG1 4.44Å; L100-I104 HydrophobicContact CG-CD1 4.14Å; L100-I104 WeakPolarHBondContact O-CG1 3.4Å; L100-I104 PolarHBondContact O-N 2.92Å; F101-I104 PolarHBondContact O-N 3.45Å; I104-G106 VanDerWaalsContact C-N 3.33Å; I104-G106 PolarHBondContact O-N 2.86Å; I104-L107 PolarHBondContact O-N 3.4Å; I104-V108 HydrophobicContact CG2-CG2 4.38Å; I104-V108 VanDerWaalsContact O-CG2 3.23Å; I104-V108 WeakPolarHBondContact O-CG2 3.44Å; I104-V108 PolarHBondContact O-N 3.43Å
105S98Very high95.5Very high0 Ų035.7 Ų35.70%020%0.2CC..Hα-helixtrans-58.7-43.3174.4172.30000112.1F101 Y102 G103 V108 D109 L127F101-S105 PolarHBondContact O-N 2.97Å; Y102-S105 PolarHBondContact O-N 2.71Å; G103-S105 VanDerWaalsContact C-N 3.33Å; G103-S105 PolarHBondContact O-N 3.34Å; S105-V108 PolarHBondContact O-N 3.4Å; S105-D109 PolarHBondContact O-N 3.47Å; S105-L127 WeakPolarHBondContact OG-CA 3.29Å; S105-L127 PolarHBondContact OG-N 3.23Å
106G97.4Very high95.2Very high0 Ų042.4 Ų42.40%024%0.237CC..Hα-helixtrans-63-42.7176.100000113.2G54 Y102 G103 I104 V108 D109 I110G54-G106 CarbonylContact C-O 3.6Å; G54-G106 WeakPolarHBondContact CA-O 3.36Å; G54-G106 CarbonylContact O-C 3.39Å; G54-G106 WeakPolarHBondContact O-CA 3.43Å; Y102-G106 PolarHBondContact O-N 3.07Å; G103-G106 PolarHBondContact O-N 3.39Å; G103-G106 VanDerWaalsContact O-N 3.13Å; I104-G106 VanDerWaalsContact C-N 3.33Å; I104-G106 PolarHBondContact O-N 2.86Å; G106-V108 VanDerWaalsContact C-N 3.34Å; G106-V108 PolarHBondContact O-N 2.89Å; G106-D109 WeakPolarHBondContact O-CB 3.4Å; G106-D109 PolarHBondContact O-N 3.26Å; G106-I110 VanDerWaalsContact O-CG1 3.31Å; G106-I110 WeakPolarHBondContact O-CG1 3.13Å; G106-I110 PolarHBondContact O-N 3.48Å
107L97.3Very high94.9Very high101 Ų10145.9 Ų45.953%0.52927%0.266SS..Hα-helixtrans-62.8-41.1175.5-67.5174.2000111.8A58 G103 I104 D109 I110 V111A58-L107 HydrophobicContact CB-CD2 4.33Å; G103-L107 WeakPolarHBondContact O-CG 3.3Å; G103-L107 PolarHBondContact O-N 3.35Å; I104-L107 PolarHBondContact O-N 3.4Å; L107-D109 VanDerWaalsContact C-N 3.34Å; L107-I110 HydrophobicContact CD2-CD1 4.43Å; L107-I110 WeakPolarHBondContact O-CB 3.49Å; L107-I110 PolarHBondContact O-N 2.94Å; L107-V111 WeakPolarHBondContact O-CG2 3.49Å; L107-V111 PolarHBondContact O-N 3.28Å
108V97Very high94.6Very high21 Ų2146.3 Ų46.313%0.12727%0.266CS..Hα-helixtrans-64.4-39.8176.5171.70000111I104 S105 G106 I110 V111 A112 L118 M122 M126I104-V108 HydrophobicContact CG2-CG2 4.38Å; I104-V108 VanDerWaalsContact O-CG2 3.23Å; I104-V108 WeakPolarHBondContact O-CG2 3.44Å; I104-V108 PolarHBondContact O-N 3.43Å; S105-V108 PolarHBondContact O-N 3.4Å; G106-V108 VanDerWaalsContact C-N 3.34Å; G106-V108 PolarHBondContact O-N 2.89Å; V108-I110 PolarHBondContact O-N 3.08Å; V108-V111 PolarHBondContact O-N 3.43Å; V108-A112 WeakPolarHBondContact O-CB 3.37Å; V108-A112 PolarHBondContact O-N 2.87Å; V108-L118 HydrophobicContact CG1-CD1 4.26Å; V108-M122 HydrophobicContact CG1-CB 3.86Å; V108-M126 HydrophobicContact CB-CB 4.23Å; V108-M126 HydrophobicContact CB-CG 4.03Å; V108-M126 HydrophobicContact CG1-CB 4.23Å; V108-M126 HydrophobicContact CG1-CG 3.84Å; V108-M126 HydrophobicContact CG2-CB 4.27Å; V108-M126 HydrophobicContact CG2-CG 3.7Å
109D96.1Very high94.3Very high0 Ų049.7 Ų49.70%029%0.29CS..Hα-helixtrans-60.3-45173.8-72.1-4.6000111.5K57 S105 G106 L107 V111 A112 H113 D123K57-D109 IonicContact NZ-OD2 3.56Å; K57-D109 PolarHBondContact NZ-OD2 2.89Å; S105-D109 PolarHBondContact O-N 3.47Å; G106-D109 WeakPolarHBondContact O-CB 3.4Å; G106-D109 PolarHBondContact O-N 3.26Å; L107-D109 VanDerWaalsContact C-N 3.34Å; D109-V111 PolarHBondContact O-N 3.35Å; D109-A112 PolarHBondContact O-N 3.4Å; D109-H113 WeakPolarHBondContact O-CB 3.32Å; D109-H113 PolarHBondContact O-CD2 3.27Å; D109-H113 VanDerWaalsContact O-CD2 3.27Å; D109-H113 PolarHBondContact O-N 2.94Å; D109-D123 VanDerWaalsContact OD1-CB 3.31Å; D109-D123 WeakPolarHBondContact OD1-CB 2.97Å
110I96.4Very high93.7Very high42 Ų4250.6 Ų50.622%0.21530%0.299CS..Hα-helixtrans-59.2-47.7177.1-67.6167.1000110.6F51 I55 A58 G106 L107 V108 G114F51-I110 HydrophobicContact CD2-CB 4.45Å; F51-I110 HydrophobicContact CD2-CG2 4.21Å; F51-I110 WeakPolarHBondContact CD2-O 3.27Å; F51-I110 HydrophobicContact CE2-CB 4.23Å; F51-I110 HydrophobicContact CE2-CG2 3.51Å; F51-I110 WeakPolarHBondContact CE2-O 3.05Å; F51-I110 HydrophobicContact CZ-CG2 4.04Å; I55-I110 HydrophobicContact CG1-CD1 3.83Å; I55-I110 HydrophobicContact CG1-CG1 3.94Å; A58-I110 HydrophobicContact CB-CD1 4.36Å; G106-I110 VanDerWaalsContact O-CG1 3.31Å; G106-I110 WeakPolarHBondContact O-CG1 3.13Å; G106-I110 PolarHBondContact O-N 3.48Å; L107-I110 HydrophobicContact CD2-CD1 4.43Å; L107-I110 WeakPolarHBondContact O-CB 3.49Å; L107-I110 PolarHBondContact O-N 2.94Å; V108-I110 PolarHBondContact O-N 3.08Å; I110-G114 VanDerWaalsContact O-CA 3.28Å; I110-G114 WeakPolarHBondContact O-CA 3.46Å; I110-G114 PolarHBondContact O-N 3.09Å
111V95.6Very high93.3Very high54 Ų5448.7 Ų48.733%0.32730%0.295SS..Hα-helixtrans-69.3-44-178.6176.30000111L107 V108 D109 H113 T115 A117 L118L107-V111 WeakPolarHBondContact O-CG2 3.49Å; L107-V111 PolarHBondContact O-N 3.28Å; V108-V111 PolarHBondContact O-N 3.43Å; D109-V111 PolarHBondContact O-N 3.35Å; V111-H113 PolarHBondContact O-N 3.42Å; V111-T115 WeakPolarHBondContact O-CA 3.35Å; V111-T115 WeakPolarHBondContact O-CB 3.34Å; V111-T115 PolarHBondContact O-N 3.34Å; V111-T115 PolarHBondContact O-OG1 3.41Å; V111-A117 HydrophobicContact CG1-CB 4.2Å; V111-L118 HydrophobicContact CB-CD1 3.96Å; V111-L118 HydrophobicContact CG1-CB 4.45Å; V111-L118 HydrophobicContact CG1-CD1 3.6Å; V111-L118 HydrophobicContact CG1-CG 3.81Å
112A93.4Very high93Very high6 Ų648.5 Ų48.55%0.0530%0.296CS..Hα-helixtrans-68.5-30.6-177.600000113.4V108 D109 L118V108-A112 WeakPolarHBondContact O-CB 3.37Å; V108-A112 PolarHBondContact O-N 2.87Å; D109-A112 PolarHBondContact O-N 3.4Å; A112-L118 HydrophobicContact CB-CB 4.45Å
113H92.6Very high92.8Very high18 Ų1846.9 Ų46.98%0.08329%0.289CS..Hα-helixtrans-104.5-14.5-179.9-65.9-73.4000113.8Q47 E50 F51 D109 V111 D123Q47-H113 HydrophobicContact CG-CB 4.01Å; Q47-H113 VanDerWaalsContact CG-O 3.26Å; Q47-H113 WeakPolarHBondContact CG-O 3.39Å; Q47-H113 PolarHBondContact NE2-O 3.12Å; E50-H113 HydrophobicContact CB-CB 4.41Å; E50-H113 VanDerWaalsContact CB-CD2 3.48Å; E50-H113 WeakPolarHBondContact CB-CD2 3.41Å; F51-H113 HydrophobicContact CB-CB 4.13Å; D109-H113 WeakPolarHBondContact O-CB 3.32Å; D109-H113 PolarHBondContact O-CD2 3.27Å; D109-H113 VanDerWaalsContact O-CD2 3.27Å; D109-H113 PolarHBondContact O-N 2.94Å; V111-H113 PolarHBondContact O-N 3.42Å; H113-D123 IonicContact CE1-OD2 3.48Å; H113-D123 PolarHBondContact CE1-OD2 3.12Å; H113-D123 IonicContact NE2-OD2 2.8Å; H113-D123 PolarHBondContact NE2-OD2 3.47Å
114G90.4Very high92.7Very high46 Ų4646.6 Ų46.647%0.47429%0.285SS..Hα-helixtrans-97.8-21.5175.900000114.2I110I110-G114 VanDerWaalsContact O-CA 3.28Å; I110-G114 WeakPolarHBondContact O-CA 3.46Å; I110-G114 PolarHBondContact O-N 3.09Å
115T89.9Confident92.6Very high64 Ų6447.4 Ų47.439%0.39329%0.288SS..  trans-136.3173-177.479.50000111.2V111 A117V111-T115 WeakPolarHBondContact O-CA 3.35Å; V111-T115 WeakPolarHBondContact O-CB 3.34Å; V111-T115 PolarHBondContact O-N 3.34Å; V111-T115 PolarHBondContact O-OG1 3.41Å; T115-A117 WeakPolarHBondContact OG1-CB 3.34Å; T115-A117 PolarHBondContact OG1-N 3.06Å
116N85.3Confident92.6Very high168 Ų16848.8 Ų48.890%0.89830%0.295SS*.SBendtrans-9813.8171.8-64.7-38.2000112.7
117A88.7Confident92.6Very high79 Ų7949 Ų4965%0.65330%0.296SS*.SBendtrans-75.9-24.2-171.400000113.9V111 T115V111-A117 HydrophobicContact CG1-CB 4.2Å; T115-A117 WeakPolarHBondContact OG1-CB 3.34Å; T115-A117 PolarHBondContact OG1-N 3.06Å
118L88.9Confident92.7Very high62 Ų6244.7 Ų44.733%0.32528%0.275SS..SBendtrans-121.5144.1-178.3-70.2177.6000111.6V108 V111 A112 V120V108-L118 HydrophobicContact CG1-CD1 4.26Å; V111-L118 HydrophobicContact CB-CD1 3.96Å; V111-L118 HydrophobicContact CG1-CB 4.45Å; V111-L118 HydrophobicContact CG1-CD1 3.6Å; V111-L118 HydrophobicContact CG1-CG 3.81Å; A112-L118 HydrophobicContact CB-CB 4.45Å; L118-V120 PolarHBondContact O-N 2.88Å
119P88.5Confident92.7Very high90 Ų9046.9 Ų46.958%0.58429%0.285SS*.  trans-58.4134.4166.2-19.731.3000109.6A121 M122P119-A121 PolarHBondContact O-N 3.33Å; P119-M122 HydrophobicContact CB-CG 4.43Å; P119-M122 HydrophobicContact CG-CG 4.48Å; P119-M122 WeakPolarHBondContact O-CB 3.16Å; P119-M122 WeakPolarHBondContact O-CG 3.46Å; P119-M122 PolarHBondContact O-N 3.36Å
120V82.6Confident92.8Very high64 Ų6446.9 Ų46.939%0.38829%0.286SS..THydrogen-bonded Turntrans-58.2-27.6-178.4-164.30000111.2L118 M122 D123 R174L118-V120 PolarHBondContact O-N 2.88Å; V120-M122 PolarHBondContact O-N 3.3Å; V120-M122 VanDerWaalsContact O-N 3.09Å; V120-D123 PolarHBondContact O-N 2.85Å; V120-D123 VanDerWaalsContact O-N 3.17Å; V120-R174 VanDerWaalsContact CG1-CZ 3.47Å; V120-R174 PolarHBondContact O-NH1 3.46Å
121A89.4Confident92.9Very high37 Ų3745.3 Ų45.331%0.30628%0.278SS..THydrogen-bonded Turntrans-57.1-22.9175.700000115P119 D123 R124 M125 V171P119-A121 PolarHBondContact O-N 3.33Å; A121-D123 PolarHBondContact O-N 3.49Å; A121-R124 PolarHBondContact O-N 2.92Å; A121-M125 PolarHBondContact O-N 2.98Å; A121-V171 HydrophobicContact CB-CG1 4.3Å
122M92.6Very high93.1Very high56 Ų5647.1 Ų47.128%0.27628%0.281SS..Hα-helixtrans-64.4-27.2178.7-65.3-59.2-66.500112.6V108 P119 V120 M125 M126V108-M122 HydrophobicContact CG1-CB 3.86Å; P119-M122 HydrophobicContact CB-CG 4.43Å; P119-M122 HydrophobicContact CG-CG 4.48Å; P119-M122 WeakPolarHBondContact O-CB 3.16Å; P119-M122 WeakPolarHBondContact O-CG 3.46Å; P119-M122 PolarHBondContact O-N 3.36Å; V120-M122 PolarHBondContact O-N 3.3Å; V120-M122 VanDerWaalsContact O-N 3.09Å; M122-M125 HydrophobicContact CE-SD 4.28Å; M122-M125 PolarHBondContact O-N 2.89Å; M122-M125 HydrophobicContact SD-SD 4.11Å; M122-M126 HydrophobicContact CE-CE 4.16Å; M122-M126 WeakPolarHBondContact O-CB 3.48Å; M122-M126 WeakPolarHBondContact O-CG 3.29Å; M122-M126 PolarHBondContact O-N 3.29Å
123D93.4Very high93.3Very high0 Ų048.2 Ų48.20%029%0.286CS..Hα-helixtrans-58.9-51.1177.968.3-5.9000111.7D109 H113 V120 A121 L127 R174D109-D123 VanDerWaalsContact OD1-CB 3.31Å; D109-D123 WeakPolarHBondContact OD1-CB 2.97Å; H113-D123 IonicContact CE1-OD2 3.48Å; H113-D123 PolarHBondContact CE1-OD2 3.12Å; H113-D123 IonicContact NE2-OD2 2.8Å; H113-D123 PolarHBondContact NE2-OD2 3.47Å; V120-D123 PolarHBondContact O-N 2.85Å; V120-D123 VanDerWaalsContact O-N 3.17Å; A121-D123 PolarHBondContact O-N 3.49Å; D123-L127 WeakPolarHBondContact O-CB 3.45Å; D123-L127 PolarHBondContact O-N 3.49Å; D123-L127 VanDerWaalsContact O-N 3.12Å; D123-R174 IonicContact OD1-CZ 3.58Å; D123-R174 IonicContact OD1-NH1 2.78Å; D123-R174 PolarHBondContact OD1-NH1 2.88Å; D123-R174 IonicContact OD1-NH2 3.42Å; D123-R174 PolarHBondContact OD1-NH2 3.23Å; D123-R174 IonicContact OD2-CZ 3.71Å; D123-R174 IonicContact OD2-NH1 3.66Å; D123-R174 IonicContact OD2-NH2 2.81Å; D123-R174 PolarHBondContact OD2-NH2 3.46Å
124R95Very high93.4Very high3 Ų347.5 Ų47.51%0.01128%0.283CS..Hα-helixtrans-71.3-38.2177.8-63.8-46.7-176.6-125.1-8.3111.7Y25 E50 A121 L127 S128 I167 E170 V171Y25-R124 PolarHBondContact OH-NH2 3.38Å; E50-R124 IonicContact OE1-NH2 2.76Å; E50-R124 IonicContact OE2-CZ 2.65Å; E50-R124 IonicContact OE2-NH1 3Å; E50-R124 PolarHBondContact OE2-NH1 3.48Å; E50-R124 VanDerWaalsContact OE2-NH1 3.09Å; E50-R124 IonicContact OE2-NH2 3.74Å; E50-R124 PolarHBondContact OE2-NH2 2.91Å; A121-R124 PolarHBondContact O-N 2.92Å; R124-L127 PolarHBondContact O-N 3.29Å; R124-S128 WeakPolarHBondContact O-CB 3.39Å; R124-S128 PolarHBondContact O-N 3.32Å; R124-I167 HydrophobicContact CB-CG2 4.33Å; R124-I167 VanDerWaalsContact O-CG2 3.28Å; R124-I167 WeakPolarHBondContact O-CG2 3.27Å; R124-E170 HydrophobicContact CB-CB 4.42Å; R124-E170 WeakPolarHBondContact CD-OE2 3.37Å; R124-E170 HydrophobicContact CG-CB 3.99Å; R124-E170 IonicContact CZ-OE2 3.88Å; R124-E170 IonicContact NE-OE2 2.94Å; R124-E170 PolarHBondContact NE-OE2 2.85Å; R124-V171 HydrophobicContact CB-CG2 3.9Å
125M96.8Very high93.7Very high84 Ų8445.3 Ų45.341%0.41426%0.26SS..Hα-helixtrans-61.3-47.8178.4-172.7-173.8170.100111.4A121 M122 S128 L129 V171A121-M125 PolarHBondContact O-N 2.98Å; M122-M125 HydrophobicContact CE-SD 4.28Å; M122-M125 PolarHBondContact O-N 2.89Å; M122-M125 HydrophobicContact SD-SD 4.11Å; M125-S128 PolarHBondContact O-N 3.19Å; M125-L129 PolarHBondContact O-N 2.78Å; M125-V171 HydrophobicContact CB-CG2 4.09Å
126M97.9Very high93.9Very high29 Ų2946.6 Ų46.614%0.14326%0.261CS..Hα-helixtrans-71.2-34.7-179-66.4-61.7102.500112.4V108 M122 L129 A130V108-M126 HydrophobicContact CB-CB 4.23Å; V108-M126 HydrophobicContact CB-CG 4.03Å; V108-M126 HydrophobicContact CG1-CB 4.23Å; V108-M126 HydrophobicContact CG1-CG 3.84Å; V108-M126 HydrophobicContact CG2-CB 4.27Å; V108-M126 HydrophobicContact CG2-CG 3.7Å; M122-M126 HydrophobicContact CE-CE 4.16Å; M122-M126 WeakPolarHBondContact O-CB 3.48Å; M122-M126 WeakPolarHBondContact O-CG 3.29Å; M122-M126 PolarHBondContact O-N 3.29Å; M126-L129 HydrophobicContact CE-CD2 4.26Å; M126-L129 PolarHBondContact O-N 3.5Å; M126-L129 HydrophobicContact SD-CD2 4.41Å; M126-A130 WeakPolarHBondContact O-CB 3.4Å; M126-A130 PolarHBondContact O-N 3.18Å
127L97.7Very high94.3Very high4 Ų440.2 Ų40.22%0.02123%0.226CC..Hα-helixtrans-65.3-42.9172.8-177.462.3000111.8Y102 S105 D123 R124 L129 A130 V131 I167Y102-L127 HydrophobicContact CE1-CD1 4.48Å; S105-L127 WeakPolarHBondContact OG-CA 3.29Å; S105-L127 PolarHBondContact OG-N 3.23Å; D123-L127 WeakPolarHBondContact O-CB 3.45Å; D123-L127 PolarHBondContact O-N 3.49Å; D123-L127 VanDerWaalsContact O-N 3.12Å; R124-L127 PolarHBondContact O-N 3.29Å; L127-L129 VanDerWaalsContact C-N 3.33Å; L127-L129 PolarHBondContact O-N 3.41Å; L127-A130 PolarHBondContact O-N 2.88Å; L127-V131 HydrophobicContact CD1-CG2 4.43Å; L127-V131 WeakPolarHBondContact O-CG2 3.47Å; L127-V131 PolarHBondContact O-N 3.31Å; L127-I167 HydrophobicContact CB-CG2 4.11Å; L127-I167 HydrophobicContact CD2-CD1 4.23Å; L127-I167 HydrophobicContact CD2-CG2 4.16Å; L127-I167 HydrophobicContact CG-CD1 4.18Å; L127-I167 HydrophobicContact CG-CG2 4.14Å
128S98.3Very high94.3Very high11 Ų1137.6 Ų37.68%0.07720%0.2CC..Hα-helixtrans-60.1-44.7175.5174.80000111.2R124 M125 A130 V131 F132 A164 F168R124-S128 WeakPolarHBondContact O-CB 3.39Å; R124-S128 PolarHBondContact O-N 3.32Å; M125-S128 PolarHBondContact O-N 3.19Å; S128-A130 PolarHBondContact O-N 3.08Å; S128-V131 PolarHBondContact O-N 2.94Å; S128-F132 WeakPolarHBondContact O-CB 3.5Å; S128-F132 PolarHBondContact O-N 3.32Å; S128-A164 PolarHBondContact OG-O 2.94Å; S128-F168 WeakPolarHBondContact OG-CB 3.36Å
129L98.3Very high94.3Very high67 Ų6736.5 Ų36.535%0.35120%0.197SC..Hα-helixtrans-61.5-43176.7-177.161.6000111.8F101 M125 M126 L127 F132 I133F101-L129 HydrophobicContact CD1-CD2 4.46Å; F101-L129 HydrophobicContact CD1-CG 4.38Å; F101-L129 HydrophobicContact CE1-CD2 4.28Å; F101-L129 HydrophobicContact CE1-CG 4.44Å; M125-L129 PolarHBondContact O-N 2.78Å; M126-L129 HydrophobicContact CE-CD2 4.26Å; M126-L129 PolarHBondContact O-N 3.5Å; M126-L129 HydrophobicContact SD-CD2 4.41Å; L127-L129 VanDerWaalsContact C-N 3.33Å; L127-L129 PolarHBondContact O-N 3.41Å; L129-F132 PolarHBondContact O-N 3.43Å; L129-I133 HydrophobicContact CD1-CG1 4.24Å; L129-I133 HydrophobicContact CG-CG1 4.46Å; L129-I133 VanDerWaalsContact O-CG1 3.3Å; L129-I133 WeakPolarHBondContact O-CG1 3.06Å; L129-I133 PolarHBondContact O-N 2.91Å
130A98.2Very high94.2Very high1 Ų139.1 Ų39.11%0.00820%0.196CC..Hα-helixtrans-61.1-46.7177.800000112.3F101 Y102 M126 L127 S128 F132 I133 E134F101-A130 HydrophobicContact CB-CB 4.1Å; Y102-A130 HydrophobicContact CD1-CB 3.9Å; Y102-A130 HydrophobicContact CE1-CB 4.05Å; Y102-A130 HydrophobicContact CG-CB 4.24Å; M126-A130 WeakPolarHBondContact O-CB 3.4Å; M126-A130 PolarHBondContact O-N 3.18Å; L127-A130 PolarHBondContact O-N 2.88Å; S128-A130 PolarHBondContact O-N 3.08Å; A130-F132 VanDerWaalsContact C-N 3.33Å; A130-F132 PolarHBondContact O-N 2.76Å; A130-I133 PolarHBondContact O-N 3.34Å; A130-E134 PolarHBondContact O-N 3.14Å
131V98.1Very high94.1Very high8 Ų837.2 Ų37.25%0.04818%0.183CC..Hα-helixtrans-66.4-35.9176.8-179.50000111.2Y102 L127 S128 E134 G135 I160 A163 A164 I167Y102-V131 HydrophobicContact CE1-CG2 4.15Å; L127-V131 HydrophobicContact CD1-CG2 4.43Å; L127-V131 WeakPolarHBondContact O-CG2 3.47Å; L127-V131 PolarHBondContact O-N 3.31Å; S128-V131 PolarHBondContact O-N 2.94Å; V131-E134 WeakPolarHBondContact O-CB 3.35Å; V131-E134 PolarHBondContact O-N 3.3Å; V131-G135 PolarHBondContact O-N 2.89Å; V131-G135 VanDerWaalsContact O-N 3.09Å; V131-I160 HydrophobicContact CG1-CG2 3.8Å; V131-I160 WeakPolarHBondContact CG1-O 3.1Å; V131-I160 WeakPolarHBondContact O-CG2 3.38Å; V131-A163 HydrophobicContact CG1-CB 4.22Å; V131-A164 HydrophobicContact CB-CB 4.18Å; V131-A164 HydrophobicContact CG1-CB 3.96Å; V131-I167 HydrophobicContact CG2-CD1 4.04Å
132F98.2Very high93.6Very high93 Ų9336 Ų3641%0.40817%0.172SC..Hα-helixtrans-64-44.4173.8178.4-91.2000112S128 L129 A130 G135 F136 F161 A164S128-F132 WeakPolarHBondContact O-CB 3.5Å; S128-F132 PolarHBondContact O-N 3.32Å; L129-F132 PolarHBondContact O-N 3.43Å; A130-F132 VanDerWaalsContact C-N 3.33Å; A130-F132 PolarHBondContact O-N 2.76Å; F132-G135 PolarHBondContact O-N 2.94Å; F132-F136 HydrophobicContact CE1-CB 4.33Å; F132-F136 WeakPolarHBondContact O-CB 3.33Å; F132-F136 PolarHBondContact O-N 3.15Å; F132-F161 HydrophobicContact CD2-CD1 4.03Å; F132-F161 AromaticContact CD2-CE1 3.88Å; F132-F161 HydrophobicContact CD2-CE1 3.88Å; F132-F161 HydrophobicContact CE2-CD1 4.24Å; F132-F161 AromaticContact CE2-CE1 3.86Å; F132-F161 HydrophobicContact CE2-CE1 3.86Å; F132-A164 HydrophobicContact CB-CB 4.15Å
133I97.8Very high92.8Very high29 Ų2940.1 Ų40.115%0.14919%0.19CC..Hα-helixtrans-65.7-38.2178.3-68.2-66.4000111.3F101 L129 A130 F136 L137F101-I133 HydrophobicContact CD1-CG1 4.03Å; F101-I133 HydrophobicContact CD2-CB 4.32Å; F101-I133 HydrophobicContact CD2-CG1 4.35Å; F101-I133 HydrophobicContact CD2-CG2 3.67Å; F101-I133 HydrophobicContact CE1-CG1 4.03Å; F101-I133 HydrophobicContact CE2-CG1 4.36Å; F101-I133 HydrophobicContact CE2-CG2 3.98Å; F101-I133 HydrophobicContact CG-CB 4.25Å; F101-I133 HydrophobicContact CG-CG1 4.19Å; F101-I133 HydrophobicContact CG-CG2 4.09Å; F101-I133 HydrophobicContact CZ-CD1 4.42Å; F101-I133 HydrophobicContact CZ-CG1 4.2Å; L129-I133 HydrophobicContact CD1-CG1 4.24Å; L129-I133 HydrophobicContact CG-CG1 4.46Å; L129-I133 VanDerWaalsContact O-CG1 3.3Å; L129-I133 WeakPolarHBondContact O-CG1 3.06Å; L129-I133 PolarHBondContact O-N 2.91Å; A130-I133 PolarHBondContact O-N 3.34Å; I133-F136 PolarHBondContact O-N 2.96Å; I133-L137 HydrophobicContact CG2-CD1 3.88Å; I133-L137 HydrophobicContact CG2-CG 4.26Å; I133-L137 WeakPolarHBondContact O-CB 3.42Å; I133-L137 WeakPolarHBondContact O-CG 3.35Å; I133-L137 PolarHBondContact O-N 3.35Å
134E96Very high91.9Very high2 Ų244.5 Ų44.51%0.00924%0.235CC..Hα-helixtrans-51.4-57.8168.3171.9-172.2-156.700110F14 M98 Y102 A130 V131 F136 L137 F138 I160 Q190F14-E134 WeakPolarHBondContact CE2-OE1 3.24Å; F14-E134 WeakPolarHBondContact CZ-OE1 3.36Å; M98-E134 HydrophobicContact CG-CB 4.08Å; M98-E134 HydrophobicContact CG-CG 4.39Å; M98-E134 HydrophobicContact SD-CB 4.14Å; M98-E134 HydrophobicContact SD-CG 3.77Å; Y102-E134 HydrophobicContact CE2-CB 4.27Å; Y102-E134 PolarHBondContact OH-OE2 2.83Å; A130-E134 PolarHBondContact O-N 3.14Å; V131-E134 WeakPolarHBondContact O-CB 3.35Å; V131-E134 PolarHBondContact O-N 3.3Å; E134-F136 VanDerWaalsContact C-N 3.32Å; E134-F136 PolarHBondContact O-N 3.05Å; E134-L137 PolarHBondContact O-N 3.48Å; E134-F138 HydrophobicContact CG-CD2 3.77Å; E134-F138 HydrophobicContact CG-CE2 3.91Å; E134-F138 WeakPolarHBondContact O-CD2 3.33Å; E134-F138 PolarHBondContact O-N 3.22Å; E134-I160 HydrophobicContact CB-CG2 4.48Å; E134-I160 HydrophobicContact CG-CD1 4.15Å; E134-I160 HydrophobicContact CG-CG2 4.32Å; E134-Q190 PolarHBondContact OE1-NE2 3.45Å; E134-Q190 PolarHBondContact OE2-NE2 3.47Å
135G95.3Very high91.4Very high0 Ų047.1 Ų47.10%025%0.245CC..Hα-helixtrans-59.7-41.8-179.100000112.7V131 F132 F138 C139 L157V131-G135 PolarHBondContact O-N 2.89Å; V131-G135 VanDerWaalsContact O-N 3.09Å; F132-G135 PolarHBondContact O-N 2.94Å; G135-F138 PolarHBondContact O-N 3.3Å; G135-C139 PolarHBondContact O-N 2.88Å; G135-C139 PolarHBondContact O-SG 3.19Å; G135-L157 VanDerWaalsContact O-CD2 3.26Å; G135-L157 WeakPolarHBondContact O-CD2 3.3Å
136F95.3Very high91Very high92 Ų9245.1 Ų45.140%0.40424%0.242SC..Hα-helixtrans-61.5-46.1178.3-179.6-95.2000112.3F132 I133 E134 C139 Y140F132-F136 HydrophobicContact CE1-CB 4.33Å; F132-F136 WeakPolarHBondContact O-CB 3.33Å; F132-F136 PolarHBondContact O-N 3.15Å; I133-F136 PolarHBondContact O-N 2.96Å; E134-F136 VanDerWaalsContact C-N 3.32Å; E134-F136 PolarHBondContact O-N 3.05Å; F136-C139 WeakPolarHBondContact O-CB 3.48Å; F136-C139 PolarHBondContact O-N 2.75Å; F136-Y140 HydrophobicContact CD2-CE2 4.27Å; F136-Y140 HydrophobicContact CE1-CD2 4.42Å; F136-Y140 HydrophobicContact CE1-CE2 4.48Å; F136-Y140 HydrophobicContact CE2-CD2 4.33Å; F136-Y140 AromaticContact CE2-CE2 3.7Å; F136-Y140 HydrophobicContact CE2-CE2 3.7Å; F136-Y140 HydrophobicContact CZ-CD2 4.19Å; F136-Y140 AromaticContact CZ-CE2 3.82Å; F136-Y140 HydrophobicContact CZ-CE2 3.82Å; F136-Y140 WeakPolarHBondContact O-CD2 3.2Å
137L93.1Very high90.6Very high33 Ų3349 Ų4917%0.17326%0.261CS..Hα-helixtrans-65.3-41.7176.9-69.6171.9000111.1Q94 T97 M98 I133 E134 C139 Y140 H141Q94-L137 HydrophobicContact CG-CD2 4.49Å; T97-L137 HydrophobicContact CG2-CD1 4.13Å; M98-L137 HydrophobicContact CB-CD1 4.09Å; I133-L137 HydrophobicContact CG2-CD1 3.88Å; I133-L137 HydrophobicContact CG2-CG 4.26Å; I133-L137 WeakPolarHBondContact O-CB 3.42Å; I133-L137 WeakPolarHBondContact O-CG 3.35Å; I133-L137 PolarHBondContact O-N 3.35Å; E134-L137 PolarHBondContact O-N 3.48Å; L137-C139 VanDerWaalsContact C-N 3.35Å; L137-C139 PolarHBondContact O-N 3.03Å; L137-Y140 PolarHBondContact O-N 3.18Å; L137-H141 PolarHBondContact O-N 3.27Å; L137-H141 VanDerWaalsContact O-N 3.16Å
138F89.1Confident90.3Very high24 Ų2448.8 Ų48.811%0.10526%0.26CS..Hα-helixtrans-62.8-36.4175.7-91.1-74.3000113M98 E134 G135 Y140 H141 L142 L157 I160 F194M98-F138 HydrophobicContact SD-CE2 4.1Å; E134-F138 HydrophobicContact CG-CD2 3.77Å; E134-F138 HydrophobicContact CG-CE2 3.91Å; E134-F138 WeakPolarHBondContact O-CD2 3.33Å; E134-F138 PolarHBondContact O-N 3.22Å; G135-F138 PolarHBondContact O-N 3.3Å; F138-Y140 VanDerWaalsContact C-N 3.28Å; F138-Y140 PolarHBondContact O-N 3.27Å; F138-H141 WeakPolarHBondContact O-CB 3.25Å; F138-H141 PolarHBondContact O-N 2.82Å; F138-L142 WeakPolarHBondContact O-CG 3.37Å; F138-L157 HydrophobicContact CB-CD2 3.71Å; F138-I160 HydrophobicContact CD2-CD1 4.35Å; F138-F194 HydrophobicContact CE1-CE1 4.39Å; F138-F194 HydrophobicContact CE2-CZ 4.03Å; F138-F194 AromaticContact CZ-CE1 3.88Å; F138-F194 HydrophobicContact CZ-CE1 3.88Å; F138-F194 AromaticContact CZ-CZ 3.78Å; F138-F194 HydrophobicContact CZ-CZ 3.78Å
139C89.4Confident90.1Very high40 Ų4049.1 Ų49.127%0.2726%0.261SS..Hα-helixtrans-54.5-45.5175.5-76.60000112.2G135 F136 L137 L157 F161G135-C139 PolarHBondContact O-N 2.88Å; G135-C139 PolarHBondContact O-SG 3.19Å; F136-C139 WeakPolarHBondContact O-CB 3.48Å; F136-C139 PolarHBondContact O-N 2.75Å; L137-C139 VanDerWaalsContact C-N 3.35Å; L137-C139 PolarHBondContact O-N 3.03Å; C139-L157 HydrophobicContact CB-CD1 4.48Å; C139-L157 VanDerWaalsContact SG-CD1 3.59Å; C139-F161 VanDerWaalsContact SG-CE2 3.54Å
140Y85.5Confident89.8Confident144 Ų14447.8 Ų47.857%0.56525%0.254SS*.Hα-helixtrans-84.6-12.9-176-71.8-79.4000113.5F136 L137 F138 L142 H143F136-Y140 HydrophobicContact CD2-CE2 4.27Å; F136-Y140 HydrophobicContact CE1-CD2 4.42Å; F136-Y140 HydrophobicContact CE1-CE2 4.48Å; F136-Y140 HydrophobicContact CE2-CD2 4.33Å; F136-Y140 AromaticContact CE2-CE2 3.7Å; F136-Y140 HydrophobicContact CE2-CE2 3.7Å; F136-Y140 HydrophobicContact CZ-CD2 4.19Å; F136-Y140 AromaticContact CZ-CE2 3.82Å; F136-Y140 HydrophobicContact CZ-CE2 3.82Å; F136-Y140 WeakPolarHBondContact O-CD2 3.2Å; L137-Y140 PolarHBondContact O-N 3.18Å; F138-Y140 VanDerWaalsContact C-N 3.28Å; F138-Y140 PolarHBondContact O-N 3.27Å; Y140-L142 VanDerWaalsContact C-N 3.28Å; Y140-L142 PolarHBondContact O-N 2.78Å; Y140-H143 AromaticContact CD1-CE1 3.58Å; Y140-H143 PolarHBondContact O-ND1 3.41Å; Y140-H143 VanDerWaalsContact O-ND1 3.11Å
141H80.9Confident89.7Confident24 Ų2449.3 Ų49.311%0.11126%0.26CS..Hα-helixtrans-69.8-18.9173.2-179.496.6000114.3M91 L137 F138 R145M91-H141 WeakPolarHBondContact CE-CE1 3.26Å; M91-H141 VanDerWaalsContact CE-ND1 3.27Å; M91-H141 WeakPolarHBondContact CE-ND1 3.41Å; M91-H141 PolarHBondContact SD-CE1 3.28Å; M91-H141 PolarHBondContact SD-ND1 2.86Å; L137-H141 PolarHBondContact O-N 3.27Å; L137-H141 VanDerWaalsContact O-N 3.16Å; F138-H141 WeakPolarHBondContact O-CB 3.25Å; F138-H141 PolarHBondContact O-N 2.82Å; H141-R145 PolarHBondContact CD2-NH2 2.62Å; H141-R145 PolarHBondContact CE1-NH2 3.33Å; H141-R145 VanDerWaalsContact CE1-NH2 3.32Å; H141-R145 PolarHBondContact NE2-NH2 2.78Å
142L79.4Confident89.5Confident13 Ų1349 Ų497%0.06826%0.258CS..THydrogen-bonded Turntrans-84.8-9.9-172.9-56.8-178.9000115F138 Y140 G144 R145 H153 Q154 L157F138-L142 WeakPolarHBondContact O-CG 3.37Å; Y140-L142 VanDerWaalsContact C-N 3.28Å; Y140-L142 PolarHBondContact O-N 2.78Å; L142-G144 PolarHBondContact O-N 3.01Å; L142-R145 PolarHBondContact O-N 3.21Å; L142-H153 HydrophobicContact CD1-CB 3.76Å; L142-H153 HydrophobicContact CD2-CB 3.28Å; L142-H153 HydrophobicContact CG-CB 4.15Å; L142-Q154 HydrophobicContact CD1-CG 4.26Å; L142-L157 HydrophobicContact CD1-CD1 4.09Å
143H74.3Confident89.4Confident142 Ų14244.7 Ų44.766%0.65724%0.239SC*.THydrogen-bonded Turntrans-63.1130-176.6-69.288.1000111.6Y140Y140-H143 AromaticContact CD1-CE1 3.58Å; Y140-H143 PolarHBondContact O-ND1 3.41Å; Y140-H143 VanDerWaalsContact O-ND1 3.11Å
144G75.4Confident89.3Confident92 Ų9247.7 Ų47.795%0.94825%0.253SS*.THydrogen-bonded Turntrans83.58.717600000115.6L142L142-G144 PolarHBondContact O-N 3.01Å
145R84.8Confident89.4Confident58 Ų5848.2 Ų48.222%0.21926%0.256CS..  trans-90.6167.1177.3-61.5-166.6172.6-147.1-1113.3H141 L142 D149 I150H141-R145 PolarHBondContact CD2-NH2 2.62Å; H141-R145 PolarHBondContact CE1-NH2 3.33Å; H141-R145 VanDerWaalsContact CE1-NH2 3.32Å; H141-R145 PolarHBondContact NE2-NH2 2.78Å; L142-R145 PolarHBondContact O-N 3.21Å; R145-D149 HydrophobicContact CB-CB 4.27Å; R145-D149 WeakPolarHBondContact CD-OD2 3.22Å; R145-D149 IonicContact CZ-OD2 3.35Å; R145-D149 IonicContact NH1-OD1 3.03Å; R145-D149 PolarHBondContact NH1-OD1 3.34Å; R145-D149 IonicContact NH1-OD2 3.85Å; R145-D149 PolarHBondContact NH1-OD2 2.92Å; R145-I150 HydrophobicContact CB-CG1 4.02Å; R145-I150 VanDerWaalsContact O-CD1 3.32Å; R145-I150 WeakPolarHBondContact O-CD1 3.46Å
146A88.8Confident89.4Confident41 Ų4148.3 Ų48.334%0.33926%0.256SS..  trans-68156.3175.500000112L148 D149 I150 Q212A146-L148 PolarHBondContact O-N 3.42Å; A146-D149 PolarHBondContact O-N 3.23Å; A146-I150 WeakPolarHBondContact O-CG1 3.25Å; A146-I150 PolarHBondContact O-N 3.41Å; A146-Q212 HydrophobicContact CB-CB 3.91Å; A146-Q212 HydrophobicContact CB-CG 4.27Å
147M89.8Confident89.5Confident110 Ų11044.8 Ų44.854%0.54224%0.242SC..Hα-helixtrans-57.1-45.4-173-72.9-72177.600113.2I150 H151 M213M147-I150 PolarHBondContact O-N 2.85Å; M147-H151 WeakPolarHBondContact O-CB 3.2Å; M147-H151 PolarHBondContact O-N 3.5Å; M147-M213 HydrophobicContact CB-SD 4.36Å; M147-M213 HydrophobicContact CG-CE 4.3Å; M147-M213 HydrophobicContact CG-SD 4.12Å
148L91.5Very high89.7Confident0 Ų050 Ų500%026%0.263CS..Hα-helixtrans-64.4-42.9178.6-172.872.2000112.4A146 H151 V152 V200 W210 Q212 N217 M218 L221A146-L148 PolarHBondContact O-N 3.42Å; L148-H151 PolarHBondContact O-N 3.36Å; L148-V152 WeakPolarHBondContact O-CG2 3.33Å; L148-V152 PolarHBondContact O-N 3.36Å; L148-V200 HydrophobicContact CD2-CG1 4.05Å; L148-W210 HydrophobicContact CD2-CB 3.75Å; L148-Q212 HydrophobicContact CB-CB 4.38Å; L148-Q212 WeakPolarHBondContact CB-O 3.39Å; L148-Q212 PolarHBondContact N-O 2.98Å; L148-Q212 VanDerWaalsContact N-O 3.15Å; L148-N217 HydrophobicContact CD1-CB 3.88Å; L148-M218 HydrophobicContact CD1-CG 3.97Å; L148-L221 HydrophobicContact CD1-CD1 3.42Å; L148-L221 VanDerWaalsContact CD1-CD1 3.42Å; L148-L221 HydrophobicContact CG-CD1 4.25Å
149D92Very high90.1Very high18 Ų1848.9 Ų48.910%0.09626%0.258CS..Hα-helixtrans-59.7-45.7175.5-170.9-22000111R145 A146 H151 V152 H153 L201R145-D149 HydrophobicContact CB-CB 4.27Å; R145-D149 WeakPolarHBondContact CD-OD2 3.22Å; R145-D149 IonicContact CZ-OD2 3.35Å; R145-D149 IonicContact NH1-OD1 3.03Å; R145-D149 PolarHBondContact NH1-OD1 3.34Å; R145-D149 IonicContact NH1-OD2 3.85Å; R145-D149 PolarHBondContact NH1-OD2 2.92Å; A146-D149 PolarHBondContact O-N 3.23Å; D149-H151 PolarHBondContact O-N 2.89Å; D149-V152 VanDerWaalsContact O-CG2 3.3Å; D149-V152 WeakPolarHBondContact O-CG2 3.34Å; D149-H153 PolarHBondContact O-N 3.19Å; D149-H153 PolarHBondContact O-ND1 2.8Å; D149-H153 IonicContact OD1-CE1 3.38Å; D149-H153 PolarHBondContact OD1-CE1 3.49Å; D149-H153 IonicContact OD1-ND1 3.91Å; D149-H153 PolarHBondContact OD1-ND1 2.89Å; D149-L201 HydrophobicContact CB-CD1 4.17Å; D149-L201 HydrophobicContact CB-CD2 4.09Å
150I92.9Very high90.5Very high40 Ų4047 Ų4721%0.20525%0.245CC..Hα-helixtrans-58.5-49.1173.8-66.7171.2000110.6R145 A146 M147 V152 H153 Q154R145-I150 HydrophobicContact CB-CG1 4.02Å; R145-I150 VanDerWaalsContact O-CD1 3.32Å; R145-I150 WeakPolarHBondContact O-CD1 3.46Å; A146-I150 WeakPolarHBondContact O-CG1 3.25Å; A146-I150 PolarHBondContact O-N 3.41Å; M147-I150 PolarHBondContact O-N 2.85Å; I150-V152 PolarHBondContact O-N 3.48Å; I150-H153 PolarHBondContact O-N 3.43Å; I150-Q154 HydrophobicContact CG2-CG 4.09Å; I150-Q154 WeakPolarHBondContact O-CB 3.48Å; I150-Q154 VanDerWaalsContact O-CG 3.29Å; I150-Q154 WeakPolarHBondContact O-CG 3.33Å; I150-Q154 PolarHBondContact O-N 2.92Å
151H95.3Very high91.2Very high33 Ų3342.9 Ų42.915%0.15323%0.231CC..Hα-helixtrans-60.4-47.2-176.1-177.467.1000112.6M147 L148 D149 H153 Q154 L155 M218 T222M147-H151 WeakPolarHBondContact O-CB 3.2Å; M147-H151 PolarHBondContact O-N 3.5Å; L148-H151 PolarHBondContact O-N 3.36Å; D149-H151 PolarHBondContact O-N 2.89Å; H151-H153 VanDerWaalsContact C-N 3.32Å; H151-H153 PolarHBondContact O-N 2.77Å; H151-Q154 PolarHBondContact O-N 3.41Å; H151-L155 WeakPolarHBondContact O-CG 3.21Å; H151-L155 PolarHBondContact O-N 3.4Å; H151-M218 HydrophobicContact CB-CG 4.21Å; H151-M218 HydrophobicContact CB-SD 4.16Å; H151-M218 PolarHBondContact NE2-O 3.22Å; H151-T222 PolarHBondContact CE1-OG1 3.38Å; H151-T222 VanDerWaalsContact CE1-OG1 3.27Å; H151-T222 PolarHBondContact NE2-OG1 3.43Å
152V95.7Very high92Very high1 Ų142.9 Ų42.91%0.00624%0.237CC..Hα-helixtrans-66.2-34.7-179-62.20000112.5L148 D149 I150 L156 W193 I197 L201 L221L148-V152 WeakPolarHBondContact O-CG2 3.33Å; L148-V152 PolarHBondContact O-N 3.36Å; D149-V152 VanDerWaalsContact O-CG2 3.3Å; D149-V152 WeakPolarHBondContact O-CG2 3.34Å; I150-V152 PolarHBondContact O-N 3.48Å; V152-L156 PolarHBondContact O-N 3.33Å; V152-W193 PolarHBondContact O-NE1 3.15Å; V152-I197 HydrophobicContact CB-CG1 3.98Å; V152-I197 HydrophobicContact CG2-CG1 3.96Å; V152-I197 HydrophobicContact CG2-CG2 4.09Å; V152-L201 HydrophobicContact CG2-CD1 4.16Å; V152-L201 HydrophobicContact CG2-CG 4.44Å; V152-L221 HydrophobicContact CG1-CD1 3.64Å; V152-L221 HydrophobicContact CG1-CG 4.47Å
153H95.3Very high92.9Very high2 Ų242.5 Ų42.51%0.00924%0.235CC..Hα-helixtrans-77.3-31175-71.391000112.9H7 L142 D149 I150 H151 L155 L156 L157H7-H153 AromaticContact NE2-CE1 3.96Å; H7-H153 AromaticContact NE2-NE2 3.51Å; L142-H153 HydrophobicContact CD1-CB 3.76Å; L142-H153 HydrophobicContact CD2-CB 3.28Å; L142-H153 HydrophobicContact CG-CB 4.15Å; D149-H153 PolarHBondContact O-N 3.19Å; D149-H153 PolarHBondContact O-ND1 2.8Å; D149-H153 IonicContact OD1-CE1 3.38Å; D149-H153 PolarHBondContact OD1-CE1 3.49Å; D149-H153 IonicContact OD1-ND1 3.91Å; D149-H153 PolarHBondContact OD1-ND1 2.89Å; I150-H153 PolarHBondContact O-N 3.43Å; H151-H153 VanDerWaalsContact C-N 3.32Å; H151-H153 PolarHBondContact O-N 2.77Å; H153-L155 VanDerWaalsContact C-N 3.28Å; H153-L155 PolarHBondContact O-N 2.91Å; H153-L156 VanDerWaalsContact O-CB 3.28Å; H153-L156 WeakPolarHBondContact O-CB 3.19Å; H153-L156 PolarHBondContact O-N 2.63Å; H153-L156 VanDerWaalsContact O-N 3.15Å; H153-L157 WeakPolarHBondContact O-CG 3.14Å; H153-L157 PolarHBondContact O-N 2.82Å
154Q95.3Very high94Very high92 Ų9235.9 Ų35.943%0.4321%0.206SC..Hα-helixtrans-60.8-40.2170.3-78.1176.3-23.200111.5L142 I150 H151 L156 L157 F158L142-Q154 HydrophobicContact CD1-CG 4.26Å; I150-Q154 HydrophobicContact CG2-CG 4.09Å; I150-Q154 WeakPolarHBondContact O-CB 3.48Å; I150-Q154 VanDerWaalsContact O-CG 3.29Å; I150-Q154 WeakPolarHBondContact O-CG 3.33Å; I150-Q154 PolarHBondContact O-N 2.92Å; H151-Q154 PolarHBondContact O-N 3.41Å; Q154-L156 VanDerWaalsContact C-N 3.32Å; Q154-L156 PolarHBondContact O-N 3.33Å; Q154-L157 WeakPolarHBondContact O-CB 3.32Å; Q154-L157 PolarHBondContact O-N 2.98Å; Q154-F158 VanDerWaalsContact O-CD2 3.24Å; Q154-F158 WeakPolarHBondContact O-CD2 3.33Å; Q154-F158 PolarHBondContact O-N 3.33Å
155L97.3Very high95.1Very high14 Ų1435.6 Ų35.67%0.07319%0.185CC..Hα-helixtrans-59.8-42.7172.4-69.7172.8000111.8H151 H153 L157 F158 W193 Y225H151-L155 WeakPolarHBondContact O-CG 3.21Å; H151-L155 PolarHBondContact O-N 3.4Å; H153-L155 VanDerWaalsContact C-N 3.28Å; H153-L155 PolarHBondContact O-N 2.91Å; L155-L157 VanDerWaalsContact C-N 3.34Å; L155-L157 PolarHBondContact O-N 2.81Å; L155-F158 PolarHBondContact O-N 3.28Å; L155-W193 HydrophobicContact CB-CZ2 4.02Å; L155-W193 HydrophobicContact CD1-CH2 4.14Å; L155-W193 HydrophobicContact CD1-CZ2 3.53Å; L155-W193 HydrophobicContact CG-CZ2 4.44Å; L155-Y225 HydrophobicContact CB-CD2 3.81Å; L155-Y225 HydrophobicContact CB-CE2 3.96Å; L155-Y225 HydrophobicContact CB-CG 4.27Å; L155-Y225 HydrophobicContact CD1-CG 4.4Å; L155-Y225 HydrophobicContact CD2-CD1 4.25Å; L155-Y225 HydrophobicContact CD2-CG 4.2Å; L155-Y225 WeakPolarHBondContact O-CE2 3.27Å; L155-Y225 PolarHBondContact O-OH 2.87Å; L155-Y225 VanDerWaalsContact O-OH 3.05Å
156L97.1Very high95.7Very high1 Ų133.3 Ų33.31%0.00518%0.178CC..Hα-helixtrans-59-42.4174.2-175.666.3000112.6V152 H153 Q154 F158 A159 I160 Q190 W193 F194 I197V152-L156 PolarHBondContact O-N 3.33Å; H153-L156 VanDerWaalsContact O-CB 3.28Å; H153-L156 WeakPolarHBondContact O-CB 3.19Å; H153-L156 PolarHBondContact O-N 2.63Å; H153-L156 VanDerWaalsContact O-N 3.15Å; Q154-L156 VanDerWaalsContact C-N 3.32Å; Q154-L156 PolarHBondContact O-N 3.33Å; L156-F158 VanDerWaalsContact C-N 3.26Å; L156-F158 PolarHBondContact O-N 2.92Å; L156-A159 WeakPolarHBondContact O-CB 3.33Å; L156-A159 PolarHBondContact O-N 3.5Å; L156-I160 HydrophobicContact CD1-CD1 4.44Å; L156-I160 HydrophobicContact CD2-CD1 4.15Å; L156-I160 HydrophobicContact CG-CD1 3.76Å; L156-I160 HydrophobicContact CG-CG1 4.38Å; L156-I160 WeakPolarHBondContact O-CG1 3.46Å; L156-I160 PolarHBondContact O-N 3.36Å; L156-I160 VanDerWaalsContact O-N 3.08Å; L156-Q190 HydrophobicContact CD1-CB 4.48Å; L156-Q190 HydrophobicContact CD1-CG 3.89Å; L156-W193 HydrophobicContact CD1-CB 4.45Å; L156-F194 HydrophobicContact CD1-CD2 3.9Å; L156-F194 HydrophobicContact CD1-CE2 3.89Å; L156-F194 HydrophobicContact CD1-CG 4.34Å; L156-F194 HydrophobicContact CD1-CZ 4.32Å; L156-F194 HydrophobicContact CD2-CD1 4.11Å; L156-F194 HydrophobicContact CD2-CD2 4.44Å; L156-F194 HydrophobicContact CD2-CE1 3.58Å; L156-F194 HydrophobicContact CD2-CE2 3.96Å; L156-F194 HydrophobicContact CD2-CZ 3.51Å; L156-F194 HydrophobicContact CG-CE2 4.45Å; L156-F194 HydrophobicContact CG-CZ 4.44Å; L156-I197 HydrophobicContact CB-CD1 4.13Å; L156-I197 HydrophobicContact CD2-CD1 3.98Å; L156-I197 HydrophobicContact CG-CD1 4.5Å
157L96.6Very high96.1Very high19 Ų1931.6 Ų31.610%0.09916%0.163CC..Hα-helixtrans-59.5-35.1180-70.9172000112.4G135 F138 C139 L142 H153 Q154 L155 A159 I160 F161G135-L157 VanDerWaalsContact O-CD2 3.26Å; G135-L157 WeakPolarHBondContact O-CD2 3.3Å; F138-L157 HydrophobicContact CB-CD2 3.71Å; C139-L157 HydrophobicContact CB-CD1 4.48Å; C139-L157 VanDerWaalsContact SG-CD1 3.59Å; L142-L157 HydrophobicContact CD1-CD1 4.09Å; H153-L157 WeakPolarHBondContact O-CG 3.14Å; H153-L157 PolarHBondContact O-N 2.82Å; Q154-L157 WeakPolarHBondContact O-CB 3.32Å; Q154-L157 PolarHBondContact O-N 2.98Å; L155-L157 VanDerWaalsContact C-N 3.34Å; L155-L157 PolarHBondContact O-N 2.81Å; L157-A159 VanDerWaalsContact C-N 3.34Å; L157-A159 PolarHBondContact O-N 3.47Å; L157-I160 PolarHBondContact O-N 3.36Å; L157-F161 HydrophobicContact CB-CD2 4.17Å; L157-F161 HydrophobicContact CB-CE2 4.18Å; L157-F161 HydrophobicContact CD2-CE2 3.96Å; L157-F161 VanDerWaalsContact O-CD2 3.23Å; L157-F161 WeakPolarHBondContact O-CD2 3.49Å; L157-F161 PolarHBondContact O-N 2.82Å
158F97.3Very high96.5Very high142 Ų14230.8 Ų30.862%0.62316%0.157SC*.Hα-helixtrans-62.1-40.7174.9-70.6-65.9000112.3Q154 L155 L156 G162Q154-F158 VanDerWaalsContact O-CD2 3.24Å; Q154-F158 WeakPolarHBondContact O-CD2 3.33Å; Q154-F158 PolarHBondContact O-N 3.33Å; L155-F158 PolarHBondContact O-N 3.28Å; L156-F158 VanDerWaalsContact C-N 3.26Å; L156-F158 PolarHBondContact O-N 2.92Å; F158-G162 PolarHBondContact O-N 3.23Å
159A98.1Very high96.8Very high0 Ų033.8 Ų33.80%017%0.172CC..Hα-helixtrans-64.3-46175.100000111.3L156 L157 A163 L189 Q190 Y225L156-A159 WeakPolarHBondContact O-CB 3.33Å; L156-A159 PolarHBondContact O-N 3.5Å; L157-A159 VanDerWaalsContact C-N 3.34Å; L157-A159 PolarHBondContact O-N 3.47Å; A159-A163 VanDerWaalsContact O-CB 3.28Å; A159-A163 WeakPolarHBondContact O-CB 3.47Å; A159-A163 PolarHBondContact O-N 3.39Å; A159-L189 HydrophobicContact CB-CD2 4.2Å; A159-L189 HydrophobicContact CB-CG 4.25Å; A159-Q190 HydrophobicContact CB-CB 4.05Å; A159-Y225 WeakPolarHBondContact CB-OH 3.47Å; A159-Y225 PolarHBondContact N-OH 3.37Å
160I98.2Very high96.9Very high0 Ų033 Ų330%017%0.168CC..Hα-helixtrans-63.4-54.9-178-64.3166.4000111.1V131 E134 F138 L156 L157 G162 A163 A164 Q190V131-I160 HydrophobicContact CG1-CG2 3.8Å; V131-I160 WeakPolarHBondContact CG1-O 3.1Å; V131-I160 WeakPolarHBondContact O-CG2 3.38Å; E134-I160 HydrophobicContact CB-CG2 4.48Å; E134-I160 HydrophobicContact CG-CD1 4.15Å; E134-I160 HydrophobicContact CG-CG2 4.32Å; F138-I160 HydrophobicContact CD2-CD1 4.35Å; L156-I160 HydrophobicContact CD1-CD1 4.44Å; L156-I160 HydrophobicContact CD2-CD1 4.15Å; L156-I160 HydrophobicContact CG-CD1 3.76Å; L156-I160 HydrophobicContact CG-CG1 4.38Å; L156-I160 WeakPolarHBondContact O-CG1 3.46Å; L156-I160 PolarHBondContact O-N 3.36Å; L156-I160 VanDerWaalsContact O-N 3.08Å; L157-I160 PolarHBondContact O-N 3.36Å; I160-G162 VanDerWaalsContact C-N 3.34Å; I160-G162 PolarHBondContact O-N 3.09Å; I160-A163 PolarHBondContact O-N 3.33Å; I160-A164 PolarHBondContact O-N 2.87Å; I160-Q190 VanDerWaalsContact CG1-CD 3.5Å; I160-Q190 HydrophobicContact CG1-CG 4.11Å
161F98.4Very high97Very high59 Ų5932.8 Ų32.826%0.25917%0.168SC..Hα-helixtrans-66.4-37.7-179.7-72.8-59.7000112.1F132 C139 L157 A163 A164 V165F132-F161 HydrophobicContact CD2-CD1 4.03Å; F132-F161 AromaticContact CD2-CE1 3.88Å; F132-F161 HydrophobicContact CD2-CE1 3.88Å; F132-F161 HydrophobicContact CE2-CD1 4.24Å; F132-F161 AromaticContact CE2-CE1 3.86Å; F132-F161 HydrophobicContact CE2-CE1 3.86Å; C139-F161 VanDerWaalsContact SG-CE2 3.54Å; L157-F161 HydrophobicContact CB-CD2 4.17Å; L157-F161 HydrophobicContact CB-CE2 4.18Å; L157-F161 HydrophobicContact CD2-CE2 3.96Å; L157-F161 VanDerWaalsContact O-CD2 3.23Å; L157-F161 WeakPolarHBondContact O-CD2 3.49Å; L157-F161 PolarHBondContact O-N 2.82Å; F161-A163 VanDerWaalsContact C-N 3.31Å; F161-A163 PolarHBondContact O-N 3.35Å; F161-A164 PolarHBondContact O-N 3.11Å; F161-V165 WeakPolarHBondContact O-CG2 3.49Å; F161-V165 PolarHBondContact O-N 3.21Å
162G98.1Very high97Very high24 Ų2437.7 Ų37.725%0.24719%0.19CC..Hα-helixtrans-57.4-45.817200000111.5F158 I160 V165 C166 L186F158-G162 PolarHBondContact O-N 3.23Å; I160-G162 VanDerWaalsContact C-N 3.34Å; I160-G162 PolarHBondContact O-N 3.09Å; G162-V165 PolarHBondContact O-N 3.25Å; G162-C166 WeakPolarHBondContact O-CB 3.41Å; G162-C166 PolarHBondContact O-N 3.44Å; G162-C166 PolarHBondContact O-SG 2.96Å; G162-L186 VanDerWaalsContact C-CD1 3.45Å
163A98.2Very high96.8Very high4 Ų443.7 Ų43.73%0.03322%0.216CC..Hα-helixtrans-65.4-44.5178.100000111.4V131 A159 I160 F161 V165 C166 I167 L186V131-A163 HydrophobicContact CG1-CB 4.22Å; A159-A163 VanDerWaalsContact O-CB 3.28Å; A159-A163 WeakPolarHBondContact O-CB 3.47Å; A159-A163 PolarHBondContact O-N 3.39Å; I160-A163 PolarHBondContact O-N 3.33Å; F161-A163 VanDerWaalsContact C-N 3.31Å; F161-A163 PolarHBondContact O-N 3.35Å; A163-V165 VanDerWaalsContact C-N 3.32Å; A163-V165 PolarHBondContact O-N 3.38Å; A163-C166 PolarHBondContact O-N 3.05Å; A163-I167 WeakPolarHBondContact O-CB 3.33Å; A163-I167 WeakPolarHBondContact O-CD1 3.14Å; A163-I167 WeakPolarHBondContact O-CG1 3.44Å; A163-I167 PolarHBondContact O-N 2.97Å; A163-L186 HydrophobicContact CB-CB 4.03Å; A163-L186 HydrophobicContact CB-CD1 4.46Å
164A98.4Very high96.4Very high4 Ų448.5 Ų48.53%0.03323%0.234CC..Hα-helixtrans-56.8-45.4176.600000111.8S128 V131 F132 I160 F161 I167 F168S128-A164 PolarHBondContact OG-O 2.94Å; V131-A164 HydrophobicContact CB-CB 4.18Å; V131-A164 HydrophobicContact CG1-CB 3.96Å; F132-A164 HydrophobicContact CB-CB 4.15Å; I160-A164 PolarHBondContact O-N 2.87Å; F161-A164 PolarHBondContact O-N 3.11Å; A164-I167 PolarHBondContact O-N 3.44Å; A164-F168 WeakPolarHBondContact O-CB 3.28Å; A164-F168 PolarHBondContact O-N 2.92Å
165V98.3Very high95.8Very high86 Ų8644.7 Ų44.752%0.52122%0.219SC..Hα-helixtrans-64.6-45.9176171.80000111.2F161 G162 A163 I167 F168 L169F161-V165 WeakPolarHBondContact O-CG2 3.49Å; F161-V165 PolarHBondContact O-N 3.21Å; G162-V165 PolarHBondContact O-N 3.25Å; A163-V165 VanDerWaalsContact C-N 3.32Å; A163-V165 PolarHBondContact O-N 3.38Å; V165-I167 VanDerWaalsContact C-N 3.33Å; V165-I167 PolarHBondContact O-N 2.96Å; V165-F168 WeakPolarHBondContact O-CB 3.31Å; V165-F168 PolarHBondContact O-N 3.08Å; V165-L169 HydrophobicContact CG1-CD1 4.24Å; V165-L169 HydrophobicContact CG1-CG 4.49Å; V165-L169 WeakPolarHBondContact O-CG 3.5Å; V165-L169 PolarHBondContact O-N 3.47Å
166C97.4Very high95.7Very high9 Ų946 Ų466%0.06123%0.229CC..Hα-helixtrans-60-44.2178.4-680000112G162 A163 F168 L169 E170 L182 R183G162-C166 WeakPolarHBondContact O-CB 3.41Å; G162-C166 PolarHBondContact O-N 3.44Å; G162-C166 PolarHBondContact O-SG 2.96Å; A163-C166 PolarHBondContact O-N 3.05Å; C166-F168 VanDerWaalsContact C-N 3.34Å; C166-L169 PolarHBondContact O-N 2.84Å; C166-E170 PolarHBondContact O-N 2.87Å; C166-L182 WeakPolarHBondContact SG-CD2 3.41Å; C166-L182 VanDerWaalsContact SG-CG 3.58Å; C166-R183 HydrophobicContact CB-CB 3.96Å
167I97.4Very high95.5Very high5 Ų547.1 Ų47.13%0.02624%0.235CC..Hα-helixtrans-66.3-38.5177.6-62.9159.9000110.5R124 L127 V131 A163 A164 V165 L169 E170 R183R124-I167 HydrophobicContact CB-CG2 4.33Å; R124-I167 VanDerWaalsContact O-CG2 3.28Å; R124-I167 WeakPolarHBondContact O-CG2 3.27Å; L127-I167 HydrophobicContact CB-CG2 4.11Å; L127-I167 HydrophobicContact CD2-CD1 4.23Å; L127-I167 HydrophobicContact CD2-CG2 4.16Å; L127-I167 HydrophobicContact CG-CD1 4.18Å; L127-I167 HydrophobicContact CG-CG2 4.14Å; V131-I167 HydrophobicContact CG2-CD1 4.04Å; A163-I167 WeakPolarHBondContact O-CB 3.33Å; A163-I167 WeakPolarHBondContact O-CD1 3.14Å; A163-I167 WeakPolarHBondContact O-CG1 3.44Å; A163-I167 PolarHBondContact O-N 2.97Å; A164-I167 PolarHBondContact O-N 3.44Å; V165-I167 VanDerWaalsContact C-N 3.33Å; V165-I167 PolarHBondContact O-N 2.96Å; I167-L169 VanDerWaalsContact C-N 3.34Å; I167-L169 PolarHBondContact O-N 3.18Å; I167-E170 WeakPolarHBondContact O-CB 3.19Å; I167-E170 PolarHBondContact O-N 2.94Å; I167-R183 HydrophobicContact CG1-CB 4.05Å; I167-R183 HydrophobicContact CG1-CG 4.49Å
168F97.8Very high95.5Very high94 Ų9451.2 Ų51.241%0.41226%0.261SS..Hα-helixtrans-61.5-43.3175.1-173.3-112.8000111.6S128 A164 V165 C166 E170 V171 F172S128-F168 WeakPolarHBondContact OG-CB 3.36Å; A164-F168 WeakPolarHBondContact O-CB 3.28Å; A164-F168 PolarHBondContact O-N 2.92Å; V165-F168 WeakPolarHBondContact O-CB 3.31Å; V165-F168 PolarHBondContact O-N 3.08Å; C166-F168 VanDerWaalsContact C-N 3.34Å; F168-E170 PolarHBondContact O-N 3.39Å; F168-V171 WeakPolarHBondContact O-CB 3.45Å; F168-V171 VanDerWaalsContact O-CG2 3.26Å; F168-V171 WeakPolarHBondContact O-CG2 3.3Å; F168-V171 PolarHBondContact O-N 3.24Å; F168-F172 HydrophobicContact CD1-CE2 4.15Å; F168-F172 AromaticContact CE1-CE2 3.61Å; F168-F172 HydrophobicContact CE1-CE2 3.61Å; F168-F172 HydrophobicContact CE1-CZ 4.29Å; F168-F172 HydrophobicContact CE2-CE2 4.4Å; F168-F172 AromaticContact CZ-CE2 3.75Å; F168-F172 HydrophobicContact CZ-CE2 3.75Å; F168-F172 HydrophobicContact CZ-CZ 4.03Å
169L97.4Very high95.4Very high63 Ų6345.6 Ų45.633%0.3324%0.237SC..Hα-helixtrans-62.3-29.1176.7-68.1174.1000112.4V165 C166 I167 V171 F172 F173 L179V165-L169 HydrophobicContact CG1-CD1 4.24Å; V165-L169 HydrophobicContact CG1-CG 4.49Å; V165-L169 WeakPolarHBondContact O-CG 3.5Å; V165-L169 PolarHBondContact O-N 3.47Å; C166-L169 PolarHBondContact O-N 2.84Å; I167-L169 VanDerWaalsContact C-N 3.34Å; I167-L169 PolarHBondContact O-N 3.18Å; L169-V171 PolarHBondContact O-N 3.41Å; L169-F172 PolarHBondContact O-N 3.26Å; L169-F172 VanDerWaalsContact O-N 3.14Å; L169-F173 HydrophobicContact CB-CD2 4.44Å; L169-F173 HydrophobicContact CD2-CE2 4.44Å; L169-F173 WeakPolarHBondContact O-CD2 3.27Å; L169-F173 PolarHBondContact O-N 2.74Å; L169-L179 HydrophobicContact CB-CD1 3.88Å; L169-L179 HydrophobicContact CB-CD2 4.16Å; L169-L179 HydrophobicContact CD1-CD2 4.21Å
170E95.3Very high95.3Very high2 Ų245.9 Ų45.91%0.00924%0.238CC..Hα-helixtrans-65.1-19173.9-69.5-174.2-157.300114R124 C166 I167 F168 F172 R174 L179 E180 R183R124-E170 HydrophobicContact CB-CB 4.42Å; R124-E170 WeakPolarHBondContact CD-OE2 3.37Å; R124-E170 HydrophobicContact CG-CB 3.99Å; R124-E170 IonicContact CZ-OE2 3.88Å; R124-E170 IonicContact NE-OE2 2.94Å; R124-E170 PolarHBondContact NE-OE2 2.85Å; C166-E170 PolarHBondContact O-N 2.87Å; I167-E170 WeakPolarHBondContact O-CB 3.19Å; I167-E170 PolarHBondContact O-N 2.94Å; F168-E170 PolarHBondContact O-N 3.39Å; E170-F172 VanDerWaalsContact C-N 3.26Å; E170-F172 PolarHBondContact O-N 3.31Å; E170-R174 WeakPolarHBondContact O-CA 3.36Å; E170-R174 PolarHBondContact O-N 3.11Å; E170-L179 HydrophobicContact CG-CB 3.84Å; E170-L179 HydrophobicContact CG-CD1 4.3Å; E170-E180 WeakPolarHBondContact OE1-CA 3.11Å; E170-E180 PolarHBondContact OE1-N 3.4Å; E170-R183 WeakPolarHBondContact OE1-CD 3.2Å; E170-R183 WeakPolarHBondContact OE1-CG 3.5Å; E170-R183 IonicContact OE1-NE 3.36Å; E170-R183 PolarHBondContact OE1-NE 3.3Å; E170-R183 IonicContact OE2-NE 2.8Å
171V95.3Very high95.3Very high34 Ų3447.1 Ų47.121%0.20624%0.244CC..Hα-helixtrans-60.7-41.3172.2178.50000110A121 R124 M125 F168 L169A121-V171 HydrophobicContact CB-CG1 4.3Å; R124-V171 HydrophobicContact CB-CG2 3.9Å; M125-V171 HydrophobicContact CB-CG2 4.09Å; F168-V171 WeakPolarHBondContact O-CB 3.45Å; F168-V171 VanDerWaalsContact O-CG2 3.26Å; F168-V171 WeakPolarHBondContact O-CG2 3.3Å; F168-V171 PolarHBondContact O-N 3.24Å; L169-V171 PolarHBondContact O-N 3.41Å
172F94Very high95.3Very high136 Ų13647 Ų4760%0.59625%0.246SC*.Hα-helixtrans-92.2-37.3-178.3-53-73.8000112.6F168 L169 E170F168-F172 HydrophobicContact CD1-CE2 4.15Å; F168-F172 AromaticContact CE1-CE2 3.61Å; F168-F172 HydrophobicContact CE1-CE2 3.61Å; F168-F172 HydrophobicContact CE1-CZ 4.29Å; F168-F172 HydrophobicContact CE2-CE2 4.4Å; F168-F172 AromaticContact CZ-CE2 3.75Å; F168-F172 HydrophobicContact CZ-CE2 3.75Å; F168-F172 HydrophobicContact CZ-CZ 4.03Å; L169-F172 PolarHBondContact O-N 3.26Å; L169-F172 VanDerWaalsContact O-N 3.14Å; E170-F172 VanDerWaalsContact C-N 3.26Å; E170-F172 PolarHBondContact O-N 3.31Å
173F92.4Very high95.2Very high127 Ų12746 Ų4656%0.55724%0.235SC*.SBendtrans-11053.5-174-57.8-70.3000112L169 G175 S176 L179L169-F173 HydrophobicContact CB-CD2 4.44Å; L169-F173 HydrophobicContact CD2-CE2 4.44Å; L169-F173 WeakPolarHBondContact O-CD2 3.27Å; L169-F173 PolarHBondContact O-N 2.74Å; F173-G175 PolarHBondContact O-N 3.18Å; F173-S176 WeakPolarHBondContact O-CB 3.39Å; F173-S176 PolarHBondContact O-N 2.8Å; F173-L179 HydrophobicContact CB-CD1 3.69Å; F173-L179 HydrophobicContact CD2-CD1 4.36Å; F173-L179 HydrophobicContact CG-CD1 4.45Å
174R85.5Confident95.2Very high104 Ų10445.8 Ų45.839%0.39223%0.233SC..THydrogen-bonded Turntrans-61.9131.2-171.9-162.3175.8-175.8937.8112.4V120 D123 E170 S176V120-R174 VanDerWaalsContact CG1-CZ 3.47Å; V120-R174 PolarHBondContact O-NH1 3.46Å; D123-R174 IonicContact OD1-CZ 3.58Å; D123-R174 IonicContact OD1-NH1 2.78Å; D123-R174 PolarHBondContact OD1-NH1 2.88Å; D123-R174 IonicContact OD1-NH2 3.42Å; D123-R174 PolarHBondContact OD1-NH2 3.23Å; D123-R174 IonicContact OD2-CZ 3.71Å; D123-R174 IonicContact OD2-NH1 3.66Å; D123-R174 IonicContact OD2-NH2 2.81Å; D123-R174 PolarHBondContact OD2-NH2 3.46Å; E170-R174 WeakPolarHBondContact O-CA 3.36Å; E170-R174 PolarHBondContact O-N 3.11Å; R174-S176 VanDerWaalsContact C-N 3.33Å
175G84.3Confident95.2Very high11 Ų1145.6 Ų45.611%0.11323%0.232CC..THydrogen-bonded Turntrans7816.5177.900000114.4F173 I177F173-G175 PolarHBondContact O-N 3.18Å; G175-I177 PolarHBondContact O-N 2.95Å
176S93.4Very high95.2Very high41 Ų4142.2 Ų42.229%0.28721%0.211SC..  trans-71108.6162.3177.30000109.5F173 R174 V178 L179 E180F173-S176 WeakPolarHBondContact O-CB 3.39Å; F173-S176 PolarHBondContact O-N 2.8Å; R174-S176 VanDerWaalsContact C-N 3.33Å; S176-V178 PolarHBondContact O-N 3.26Å; S176-L179 PolarHBondContact O-N 3.46Å; S176-E180 WeakPolarHBondContact O-CG 3.38Å; S176-E180 PolarHBondContact O-N 3Å
177I93.6Very high95.3Very high26 Ų2642 Ų4213%0.13321%0.21CC..Hα-helixtrans-59.6-27.5177.1-170.854.9000111.9Y29 G175 M181Y29-I177 HydrophobicContact CD1-CG1 4.36Å; Y29-I177 HydrophobicContact CD2-CB 3.79Å; Y29-I177 HydrophobicContact CD2-CG1 4.18Å; Y29-I177 HydrophobicContact CD2-CG2 3.98Å; Y29-I177 HydrophobicContact CE2-CB 4.21Å; Y29-I177 HydrophobicContact CE2-CG2 3.87Å; Y29-I177 HydrophobicContact CG-CB 4.09Å; Y29-I177 HydrophobicContact CG-CD1 4.32Å; Y29-I177 HydrophobicContact CG-CG1 3.94Å; Y29-I177 HydrophobicContact CG-CG2 4.44Å; G175-I177 PolarHBondContact O-N 2.95Å; I177-M181 HydrophobicContact CD1-CG 3.91Å; I177-M181 HydrophobicContact CD1-SD 4.47Å; I177-M181 HydrophobicContact CG1-CG 4.04Å; I177-M181 VanDerWaalsContact O-CB 3.24Å; I177-M181 WeakPolarHBondContact O-CB 3.35Å; I177-M181 WeakPolarHBondContact O-CG 3.34Å; I177-M181 PolarHBondContact O-N 3.29Å
178V96.1Very high95.3Very high105 Ų10542 Ų4264%0.63621%0.209SC*.Hα-helixtrans-67.4-45.9178.7-178.40000110.7S176 M181 L182S176-V178 PolarHBondContact O-N 3.26Å; V178-M181 PolarHBondContact O-N 3.02Å; V178-L182 VanDerWaalsContact O-CB 3.3Å; V178-L182 WeakPolarHBondContact O-CB 3.42Å; V178-L182 PolarHBondContact O-N 3.02Å
179L96.6Very high95.4Very high23 Ų2337.6 Ų37.612%0.1219%0.19CC..Hα-helixtrans-67.3-43.9175.9-68.3176.5000111.2L169 E170 F173 S176 M181 L182 R183L169-L179 HydrophobicContact CB-CD1 3.88Å; L169-L179 HydrophobicContact CB-CD2 4.16Å; L169-L179 HydrophobicContact CD1-CD2 4.21Å; E170-L179 HydrophobicContact CG-CB 3.84Å; E170-L179 HydrophobicContact CG-CD1 4.3Å; F173-L179 HydrophobicContact CB-CD1 3.69Å; F173-L179 HydrophobicContact CD2-CD1 4.36Å; F173-L179 HydrophobicContact CG-CD1 4.45Å; S176-L179 PolarHBondContact O-N 3.46Å; L179-M181 PolarHBondContact O-N 2.89Å; L179-L182 PolarHBondContact O-N 3.02Å; L179-R183 WeakPolarHBondContact O-CG 2.98Å; L179-R183 PolarHBondContact O-N 3.12Å
180E96.1Very high95.4Very high6 Ų634.7 Ų34.73%0.02818%0.175CC..Hα-helixtrans-58.7-37.9177.1-73.2180153.400110.9Y25 K28 E170 S176 R183 T184Y25-E180 HydrophobicContact CD1-CB 3.83Å; Y25-E180 HydrophobicContact CD1-CG 3.79Å; Y25-E180 WeakPolarHBondContact CD1-OE2 3.28Å; Y25-E180 HydrophobicContact CD2-CB 3.8Å; Y25-E180 HydrophobicContact CD2-CG 4.48Å; Y25-E180 HydrophobicContact CE1-CB 3.96Å; Y25-E180 HydrophobicContact CE1-CG 3.55Å; Y25-E180 WeakPolarHBondContact CE1-OE1 3.13Å; Y25-E180 HydrophobicContact CE2-CB 3.85Å; Y25-E180 HydrophobicContact CE2-CG 4.21Å; Y25-E180 HydrophobicContact CG-CB 3.73Å; Y25-E180 HydrophobicContact CG-CG 4.24Å; K28-E180 IonicContact NZ-OE1 2.89Å; K28-E180 PolarHBondContact NZ-OE1 3.04Å; E170-E180 WeakPolarHBondContact OE1-CA 3.11Å; E170-E180 PolarHBondContact OE1-N 3.4Å; S176-E180 WeakPolarHBondContact O-CG 3.38Å; S176-E180 PolarHBondContact O-N 3Å; E180-R183 VanDerWaalsContact O-CG 3.27Å; E180-R183 WeakPolarHBondContact O-CG 3.18Å; E180-T184 WeakPolarHBondContact O-CB 3.19Å; E180-T184 PolarHBondContact O-N 3.37Å; E180-T184 PolarHBondContact O-OG1 3.42Å
181M97.1Very high95.5Very high26 Ų2634.6 Ų34.613%0.12817%0.174CC..Hα-helixtrans-76.6-40.2175.9-67.6-77.167.600113.3Y25 P26 I177 V178 L179 T184 S185 L236Y25-M181 HydrophobicContact CD2-CE 4.35Å; P26-M181 HydrophobicContact CG-CE 4.34Å; P26-M181 HydrophobicContact CG-SD 3.9Å; I177-M181 HydrophobicContact CD1-CG 3.91Å; I177-M181 HydrophobicContact CD1-SD 4.47Å; I177-M181 HydrophobicContact CG1-CG 4.04Å; I177-M181 VanDerWaalsContact O-CB 3.24Å; I177-M181 WeakPolarHBondContact O-CB 3.35Å; I177-M181 WeakPolarHBondContact O-CG 3.34Å; I177-M181 PolarHBondContact O-N 3.29Å; V178-M181 PolarHBondContact O-N 3.02Å; L179-M181 PolarHBondContact O-N 2.89Å; M181-T184 HydrophobicContact CE-CG2 4.03Å; M181-T184 WeakPolarHBondContact O-CB 3.37Å; M181-T184 PolarHBondContact O-N 3.28Å; M181-T184 VanDerWaalsContact O-N 3.12Å; M181-S185 PolarHBondContact O-N 2.89Å; M181-L236 HydrophobicContact CB-CD2 3.96Å; M181-L236 HydrophobicContact CE-CD2 4.06Å; M181-L236 HydrophobicContact CE-CG 4.41Å; M181-L236 VanDerWaalsContact O-CD2 3.27Å; M181-L236 WeakPolarHBondContact O-CD2 3.36Å; M181-L236 HydrophobicContact SD-CD2 3.99Å; M181-L236 HydrophobicContact SD-CG 4.42Å
182L97.7Very high95.7Very high57 Ų5733.9 Ų33.930%0.29817%0.171SC..Hα-helixtrans-63.6-44.3177.1-175.460.3000111.6C166 V178 L179 T184 S185 L186 Y229C166-L182 WeakPolarHBondContact SG-CD2 3.41Å; C166-L182 VanDerWaalsContact SG-CG 3.58Å; V178-L182 VanDerWaalsContact O-CB 3.3Å; V178-L182 WeakPolarHBondContact O-CB 3.42Å; V178-L182 PolarHBondContact O-N 3.02Å; L179-L182 PolarHBondContact O-N 3.02Å; L182-T184 PolarHBondContact O-N 3.12Å; L182-S185 PolarHBondContact O-N 2.97Å; L182-S185 PolarHBondContact O-OG 3.38Å; L182-L186 HydrophobicContact CG-CD1 4.32Å; L182-L186 VanDerWaalsContact O-CG 3.31Å; L182-L186 WeakPolarHBondContact O-CG 3.31Å; L182-L186 PolarHBondContact O-N 3.2Å; L182-L186 VanDerWaalsContact O-N 3.11Å; L182-Y229 WeakPolarHBondContact CD1-OH 3.41Å
183R96.9Very high95.9Very high2 Ų227.4 Ų27.41%0.00814%0.143CC..Hα-helixtrans-63.9-30.5174.174.6160.6-163.495.1-0.7112.4W21 Y25 C166 I167 E170 L179 E180 C187W21-R183 VanDerWaalsContact CD2-NH1 3.27Å; Y25-R183 VanDerWaalsContact CE2-CZ 3.43Å; Y25-R183 PolarHBondContact OH-NE 3.46Å; Y25-R183 PolarHBondContact OH-NH2 2.81Å; C166-R183 HydrophobicContact CB-CB 3.96Å; I167-R183 HydrophobicContact CG1-CB 4.05Å; I167-R183 HydrophobicContact CG1-CG 4.49Å; E170-R183 WeakPolarHBondContact OE1-CD 3.2Å; E170-R183 WeakPolarHBondContact OE1-CG 3.5Å; E170-R183 IonicContact OE1-NE 3.36Å; E170-R183 PolarHBondContact OE1-NE 3.3Å; E170-R183 IonicContact OE2-NE 2.8Å; L179-R183 WeakPolarHBondContact O-CG 2.98Å; L179-R183 PolarHBondContact O-N 3.12Å; E180-R183 VanDerWaalsContact O-CG 3.27Å; E180-R183 WeakPolarHBondContact O-CG 3.18Å; R183-C187 WeakPolarHBondContact O-CB 3.29Å; R183-C187 PolarHBondContact O-N 2.85Å
184T98.2Very high96.1Very high0 Ų021.5 Ų21.50%012%0.117CC..Hα-helixtrans-71.7-45.3179.3-63.60000111.1G18 W21 E180 M181 L182 L186 C187 I188 L236G18-T184 WeakPolarHBondContact O-CG2 3.49Å; W21-T184 HydrophobicContact CB-CG2 3.91Å; W21-T184 WeakPolarHBondContact CB-OG1 3.2Å; E180-T184 WeakPolarHBondContact O-CB 3.19Å; E180-T184 PolarHBondContact O-N 3.37Å; E180-T184 PolarHBondContact O-OG1 3.42Å; M181-T184 HydrophobicContact CE-CG2 4.03Å; M181-T184 WeakPolarHBondContact O-CB 3.37Å; M181-T184 PolarHBondContact O-N 3.28Å; M181-T184 VanDerWaalsContact O-N 3.12Å; L182-T184 PolarHBondContact O-N 3.12Å; T184-L186 VanDerWaalsContact C-N 3.31Å; T184-L186 PolarHBondContact O-N 3.46Å; T184-C187 PolarHBondContact O-N 3.47Å; T184-I188 HydrophobicContact CG2-CD1 4.39Å; T184-I188 WeakPolarHBondContact O-CG1 3.34Å; T184-I188 PolarHBondContact O-N 3.04Å; T184-L236 HydrophobicContact CG2-CD1 4.28Å; T184-L236 HydrophobicContact CG2-CG 4.47Å
185S98.5Very high96.7Very high0 Ų020.3 Ų20.30%011%0.112CC..Hα-helixtrans-63.4-39.1176.8620000111.5M181 L182 I188 L189M181-S185 PolarHBondContact O-N 2.89Å; L182-S185 PolarHBondContact O-N 2.97Å; L182-S185 PolarHBondContact O-OG 3.38Å; S185-I188 PolarHBondContact O-N 3.23Å; S185-L189 WeakPolarHBondContact O-CB 3.47Å; S185-L189 PolarHBondContact O-N 3.17Å
186L98.6Very high97.3Very high15 Ų1521.4 Ų21.48%0.07911%0.114CC..Hα-helixtrans-66.3-37175.4-68171.7000112.6G162 A163 L182 T184 L189 Q190 Y229G162-L186 VanDerWaalsContact C-CD1 3.45Å; A163-L186 HydrophobicContact CB-CB 4.03Å; A163-L186 HydrophobicContact CB-CD1 4.46Å; L182-L186 HydrophobicContact CG-CD1 4.32Å; L182-L186 VanDerWaalsContact O-CG 3.31Å; L182-L186 WeakPolarHBondContact O-CG 3.31Å; L182-L186 PolarHBondContact O-N 3.2Å; L182-L186 VanDerWaalsContact O-N 3.11Å; T184-L186 VanDerWaalsContact C-N 3.31Å; T184-L186 PolarHBondContact O-N 3.46Å; L186-L189 HydrophobicContact CD2-CD2 4.39Å; L186-L189 WeakPolarHBondContact O-CB 3.38Å; L186-L189 PolarHBondContact O-N 3.17Å; L186-Q190 VanDerWaalsContact O-CB 3.31Å; L186-Q190 WeakPolarHBondContact O-CB 3.37Å; L186-Q190 PolarHBondContact O-N 2.9Å; L186-Y229 HydrophobicContact CD2-CE2 4.07Å
187C98.4Very high97.4Very high6 Ų619.5 Ų19.54%0.04110%0.101CC..Hα-helixtrans-65.4-41.9173.9-171.40000112.2F14 W21 R183 T184 Q190 G191F14-C187 PolarHBondContact O-SG 2.68Å; W21-C187 HydrophobicContact CE3-CB 4.11Å; W21-C187 HydrophobicContact CZ3-CB 3.87Å; W21-C187 WeakPolarHBondContact CZ3-SG 3.47Å; R183-C187 WeakPolarHBondContact O-CB 3.29Å; R183-C187 PolarHBondContact O-N 2.85Å; T184-C187 PolarHBondContact O-N 3.47Å; C187-Q190 PolarHBondContact O-N 3.47Å; C187-G191 PolarHBondContact O-N 2.96Å
188I98.7Very high97.4Very high4 Ų418.2 Ų18.22%0.0219%0.094CC..Hα-helixtrans-64-42.7173.9-66.2174.7000110.6L15 L19 T184 S185 G191 S192 A232 I235 L236L15-I188 HydrophobicContact CD2-CG2 4.05Å; L19-I188 HydrophobicContact CD2-CD1 4.36Å; T184-I188 HydrophobicContact CG2-CD1 4.39Å; T184-I188 WeakPolarHBondContact O-CG1 3.34Å; T184-I188 PolarHBondContact O-N 3.04Å; S185-I188 PolarHBondContact O-N 3.23Å; I188-G191 PolarHBondContact O-N 3.17Å; I188-S192 WeakPolarHBondContact O-CB 3.44Å; I188-S192 PolarHBondContact O-N 3.01Å; I188-S192 PolarHBondContact O-OG 3.44Å; I188-S192 VanDerWaalsContact O-OG 3.08Å; I188-A232 HydrophobicContact CB-CB 4.09Å; I188-A232 HydrophobicContact CG2-CB 3.78Å; I188-I235 HydrophobicContact CD1-CG2 4.14Å; I188-I235 HydrophobicContact CG2-CD1 4.19Å; I188-L236 HydrophobicContact CD1-CD1 3.66Å
189L98.7Very high97.3Very high1 Ų117.5 Ų17.51%0.0058%0.083CC..Hα-helixtrans-58.8-53.2175.6178.659.1000110.7A159 S185 L186 G191 S192 W193 Y225 H228 Y229A159-L189 HydrophobicContact CB-CD2 4.2Å; A159-L189 HydrophobicContact CB-CG 4.25Å; S185-L189 WeakPolarHBondContact O-CB 3.47Å; S185-L189 PolarHBondContact O-N 3.17Å; L186-L189 HydrophobicContact CD2-CD2 4.39Å; L186-L189 WeakPolarHBondContact O-CB 3.38Å; L186-L189 PolarHBondContact O-N 3.17Å; L189-G191 VanDerWaalsContact C-N 3.33Å; L189-G191 PolarHBondContact O-N 3.4Å; L189-S192 PolarHBondContact O-N 2.89Å; L189-S192 PolarHBondContact O-OG 2.9Å; L189-W193 WeakPolarHBondContact O-CB 3.32Å; L189-W193 PolarHBondContact O-N 2.79Å; L189-Y225 HydrophobicContact CD1-CD2 4.23Å; L189-Y225 HydrophobicContact CD1-CE2 3.94Å; L189-Y225 HydrophobicContact CD2-CE1 3.93Å; L189-Y225 HydrophobicContact CD2-CE2 4.07Å; L189-Y225 VanDerWaalsContact CD2-CZ 3.5Å; L189-Y225 VanDerWaalsContact CD2-OH 3.23Å; L189-Y225 WeakPolarHBondContact CD2-OH 3.37Å; L189-Y225 HydrophobicContact CG-CE2 4.01Å; L189-H228 HydrophobicContact CD1-CB 3.67Å; L189-Y229 HydrophobicContact CB-CD2 4.16Å; L189-Y229 HydrophobicContact CD2-CD2 3.63Å; L189-Y229 HydrophobicContact CD2-CE2 4.21Å; L189-Y229 HydrophobicContact CD2-CG 3.83Å; L189-Y229 HydrophobicContact CG-CD2 4.37Å
190Q98.4Very high97.1Very high3 Ų316.5 Ų16.51%0.0148%0.078CC..Hα-helixtrans-52.1-50.3176.3179.7173.2-2100111.4F14 E134 L156 A159 I160 L186 C187 W193 F194F14-Q190 HydrophobicContact CD2-CG 4.16Å; F14-Q190 HydrophobicContact CE2-CG 4.49Å; F14-Q190 VanDerWaalsContact CE2-NE2 3.29Å; F14-Q190 HydrophobicContact CG-CG 4.2Å; E134-Q190 PolarHBondContact OE1-NE2 3.45Å; E134-Q190 PolarHBondContact OE2-NE2 3.47Å; L156-Q190 HydrophobicContact CD1-CB 4.48Å; L156-Q190 HydrophobicContact CD1-CG 3.89Å; A159-Q190 HydrophobicContact CB-CB 4.05Å; I160-Q190 VanDerWaalsContact CG1-CD 3.5Å; I160-Q190 HydrophobicContact CG1-CG 4.11Å; L186-Q190 VanDerWaalsContact O-CB 3.31Å; L186-Q190 WeakPolarHBondContact O-CB 3.37Å; L186-Q190 PolarHBondContact O-N 2.9Å; C187-Q190 PolarHBondContact O-N 3.47Å; Q190-W193 PolarHBondContact O-N 3.38Å; Q190-F194 HydrophobicContact CG-CD2 4.11Å; Q190-F194 HydrophobicContact CG-CE2 3.94Å; Q190-F194 VanDerWaalsContact O-CD2 3.28Å; Q190-F194 WeakPolarHBondContact O-CD2 3.4Å; Q190-F194 PolarHBondContact O-N 2.88Å
191G98.1Very high96.9Very high0 Ų017.1 Ų17.10%08%0.081CC..Hα-helixtrans-65-46.9-179.300000114G11 C187 I188 L189 W193 F194 W195G11-G191 VanDerWaalsContact CA-O 3.31Å; G11-G191 WeakPolarHBondContact CA-O 3.46Å; G11-G191 VanDerWaalsContact O-CA 3.28Å; G11-G191 WeakPolarHBondContact O-CA 3.35Å; C187-G191 PolarHBondContact O-N 2.96Å; I188-G191 PolarHBondContact O-N 3.17Å; L189-G191 VanDerWaalsContact C-N 3.33Å; L189-G191 PolarHBondContact O-N 3.4Å; G191-W193 VanDerWaalsContact C-N 3.27Å; G191-W193 PolarHBondContact O-N 2.77Å; G191-F194 PolarHBondContact O-N 3.11Å; G191-W195 PolarHBondContact O-N 3.22Å
192S98.5Very high96.7Very high19 Ų1919 Ų1913%0.1339%0.087CC..Hα-helixtrans-66-32.2176.967.70000112.3I188 L189 W195 Q196 H228I188-S192 WeakPolarHBondContact O-CB 3.44Å; I188-S192 PolarHBondContact O-N 3.01Å; I188-S192 PolarHBondContact O-OG 3.44Å; I188-S192 VanDerWaalsContact O-OG 3.08Å; L189-S192 PolarHBondContact O-N 2.89Å; L189-S192 PolarHBondContact O-OG 2.9Å; S192-W195 WeakPolarHBondContact O-CB 3.35Å; S192-W195 PolarHBondContact O-N 3.16Å; S192-Q196 PolarHBondContact O-N 3.3Å; S192-Q196 VanDerWaalsContact O-N 3.1Å; S192-H228 WeakPolarHBondContact CB-ND1 3.46Å; S192-H228 PolarHBondContact OG-ND1 2.93Å
193W98.4Very high96.3Very high0 Ų017.4 Ų17.40%08%0.08CC..Hα-helixtrans-75.1-35.7179.8-165.6-109.3000112.4V152 L155 L156 L189 Q190 G191 W195 Q196 I197 L221 C224 Y225V152-W193 PolarHBondContact O-NE1 3.15Å; L155-W193 HydrophobicContact CB-CZ2 4.02Å; L155-W193 HydrophobicContact CD1-CH2 4.14Å; L155-W193 HydrophobicContact CD1-CZ2 3.53Å; L155-W193 HydrophobicContact CG-CZ2 4.44Å; L156-W193 HydrophobicContact CD1-CB 4.45Å; L189-W193 WeakPolarHBondContact O-CB 3.32Å; L189-W193 PolarHBondContact O-N 2.79Å; Q190-W193 PolarHBondContact O-N 3.38Å; G191-W193 VanDerWaalsContact C-N 3.27Å; G191-W193 PolarHBondContact O-N 2.77Å; W193-W195 VanDerWaalsContact C-N 3.25Å; W193-W195 PolarHBondContact O-N 3.31Å; W193-Q196 HydrophobicContact CD2-CB 4.22Å; W193-Q196 HydrophobicContact CE3-CB 3.83Å; W193-Q196 HydrophobicContact CE3-CG 3.94Å; W193-Q196 HydrophobicContact CH2-CG 4.06Å; W193-Q196 HydrophobicContact CZ3-CB 4.12Å; W193-Q196 HydrophobicContact CZ3-CG 3.68Å; W193-Q196 CarbonylContact O-C 3.22Å; W193-Q196 WeakPolarHBondContact O-CA 3.23Å; W193-Q196 WeakPolarHBondContact O-CB 3.46Å; W193-Q196 PolarHBondContact O-N 2.97Å; W193-I197 WeakPolarHBondContact O-CG1 3.46Å; W193-I197 PolarHBondContact O-N 3.29Å; W193-L221 HydrophobicContact CH2-CB 4.38Å; W193-L221 HydrophobicContact CH2-CD2 4.37Å; W193-L221 VanDerWaalsContact CH2-O 3.26Å; W193-L221 WeakPolarHBondContact CH2-O 3.26Å; W193-C224 HydrophobicContact CZ3-CB 4.44Å; W193-Y225 AromaticContact CD2-CD2 3.45Å; W193-Y225 HydrophobicContact CD2-CD2 3.45Å; W193-Y225 VanDerWaalsContact CD2-CD2 3.45Å; W193-Y225 HydrophobicContact CD2-CE2 4.04Å; W193-Y225 AromaticContact CE2-CD2 3.61Å; W193-Y225 AromaticContact CE3-CD2 3.62Å; W193-Y225 HydrophobicContact CE3-CD2 3.62Å; W193-Y225 HydrophobicContact CE3-CG 4.4Å; W193-Y225 AromaticContact CG-CD2 3.92Å; W193-Y225 HydrophobicContact CG-CD2 3.92Å; W193-Y225 HydrophobicContact CG-CE2 4.01Å; W193-Y225 HydrophobicContact CH2-CD2 4.11Å; W193-Y225 HydrophobicContact CH2-CG 4.41Å; W193-Y225 AromaticContact CZ2-CD2 3.95Å; W193-Y225 HydrophobicContact CZ2-CD2 3.95Å; W193-Y225 AromaticContact CZ3-CD2 3.94Å; W193-Y225 HydrophobicContact CZ3-CD2 3.94Å; W193-Y225 HydrophobicContact CZ3-CG 4.33Å
194F97Very high95.6Very high3 Ų320.7 Ų20.71%0.01310%0.102CC..Hα-helixtrans-53.8-44.2167.8-94.7-64.4000111.7H7 P10 G11 F14 F138 L156 Q190 G191 Q196 I197 G198H7-F194 WeakPolarHBondContact CB-O 3.4Å; P10-F194 HydrophobicContact CG-CD1 4.21Å; P10-F194 HydrophobicContact CG-CE1 4.24Å; G11-F194 VanDerWaalsContact CA-CB 3.42Å; F14-F194 AromaticContact CD2-CD2 3.89Å; F14-F194 HydrophobicContact CD2-CD2 3.89Å; F14-F194 AromaticContact CD2-CE2 3.76Å; F14-F194 HydrophobicContact CD2-CE2 3.76Å; F14-F194 HydrophobicContact CE2-CD2 4.25Å; F14-F194 AromaticContact CE2-CE2 3.65Å; F14-F194 HydrophobicContact CE2-CE2 3.65Å; F14-F194 HydrophobicContact CE2-CZ 4.47Å; F138-F194 HydrophobicContact CE1-CE1 4.39Å; F138-F194 HydrophobicContact CE2-CZ 4.03Å; F138-F194 AromaticContact CZ-CE1 3.88Å; F138-F194 HydrophobicContact CZ-CE1 3.88Å; F138-F194 AromaticContact CZ-CZ 3.78Å; F138-F194 HydrophobicContact CZ-CZ 3.78Å; L156-F194 HydrophobicContact CD1-CD2 3.9Å; L156-F194 HydrophobicContact CD1-CE2 3.89Å; L156-F194 HydrophobicContact CD1-CG 4.34Å; L156-F194 HydrophobicContact CD1-CZ 4.32Å; L156-F194 HydrophobicContact CD2-CD1 4.11Å; L156-F194 HydrophobicContact CD2-CD2 4.44Å; L156-F194 HydrophobicContact CD2-CE1 3.58Å; L156-F194 HydrophobicContact CD2-CE2 3.96Å; L156-F194 HydrophobicContact CD2-CZ 3.51Å; L156-F194 HydrophobicContact CG-CE2 4.45Å; L156-F194 HydrophobicContact CG-CZ 4.44Å; Q190-F194 HydrophobicContact CG-CD2 4.11Å; Q190-F194 HydrophobicContact CG-CE2 3.94Å; Q190-F194 VanDerWaalsContact O-CD2 3.28Å; Q190-F194 WeakPolarHBondContact O-CD2 3.4Å; Q190-F194 PolarHBondContact O-N 2.88Å; G191-F194 PolarHBondContact O-N 3.11Å; F194-Q196 PolarHBondContact O-N 3.43Å; F194-I197 PolarHBondContact O-N 2.89Å; F194-G198 PolarHBondContact O-N 3.45Å
195W97.3Very high95Very high78 Ų7828 Ų2830%0.29514%0.141SC..Hα-helixtrans-60.7-44.3173-85.390.2000112.4F4 A8 S12 G191 S192 W193 I197 G198 F199F4-W195 HydrophobicContact CE1-CZ3 4.03Å; F4-W195 AromaticContact CZ-CE3 3.92Å; F4-W195 HydrophobicContact CZ-CE3 3.92Å; F4-W195 AromaticContact CZ-CZ3 3.6Å; F4-W195 HydrophobicContact CZ-CZ3 3.6Å; A8-W195 HydrophobicContact CB-CD2 4.16Å; A8-W195 HydrophobicContact CB-CE3 4.18Å; A8-W195 HydrophobicContact CB-CH2 3.93Å; A8-W195 HydrophobicContact CB-CZ2 3.87Å; A8-W195 HydrophobicContact CB-CZ3 4.09Å; A8-W195 PolarHBondContact O-NE1 3.29Å; S12-W195 WeakPolarHBondContact OG-CZ2 3.39Å; S12-W195 PolarHBondContact OG-NE1 3.31Å; G191-W195 PolarHBondContact O-N 3.22Å; S192-W195 WeakPolarHBondContact O-CB 3.35Å; S192-W195 PolarHBondContact O-N 3.16Å; W193-W195 VanDerWaalsContact C-N 3.25Å; W193-W195 PolarHBondContact O-N 3.31Å; W195-I197 VanDerWaalsContact C-N 3.35Å; W195-I197 PolarHBondContact O-N 2.88Å; W195-G198 WeakPolarHBondContact O-CA 3.5Å; W195-G198 PolarHBondContact O-N 2.9Å; W195-G198 VanDerWaalsContact O-N 3.12Å; W195-F199 HydrophobicContact CB-CE2 4.41Å; W195-F199 AromaticContact CE3-CE2 3.66Å; W195-F199 HydrophobicContact CE3-CE2 3.66Å; W195-F199 AromaticContact CE3-CZ 3.79Å; W195-F199 HydrophobicContact CE3-CZ 3.79Å; W195-F199 HydrophobicContact CZ3-CE2 4.37Å; W195-F199 HydrophobicContact CZ3-CZ 4.03Å; W195-F199 WeakPolarHBondContact O-CD2 3.28Å; W195-F199 PolarHBondContact O-N 3.32Å
196Q96.9Very high94Very high34 Ų3431.3 Ų31.316%0.15918%0.175CC..Hα-helixtrans-59.6-43.8177.2-171.662.123.900112S192 W193 F194 G198 F199 V200S192-Q196 PolarHBondContact O-N 3.3Å; S192-Q196 VanDerWaalsContact O-N 3.1Å; W193-Q196 HydrophobicContact CD2-CB 4.22Å; W193-Q196 HydrophobicContact CE3-CB 3.83Å; W193-Q196 HydrophobicContact CE3-CG 3.94Å; W193-Q196 HydrophobicContact CH2-CG 4.06Å; W193-Q196 HydrophobicContact CZ3-CB 4.12Å; W193-Q196 HydrophobicContact CZ3-CG 3.68Å; W193-Q196 CarbonylContact O-C 3.22Å; W193-Q196 WeakPolarHBondContact O-CA 3.23Å; W193-Q196 WeakPolarHBondContact O-CB 3.46Å; W193-Q196 PolarHBondContact O-N 2.97Å; F194-Q196 PolarHBondContact O-N 3.43Å; Q196-G198 VanDerWaalsContact C-N 3.3Å; Q196-G198 PolarHBondContact O-N 3.02Å; Q196-F199 PolarHBondContact O-N 3.32Å; Q196-V200 HydrophobicContact CG-CG2 4.39Å; Q196-V200 VanDerWaalsContact O-CG2 3.25Å; Q196-V200 WeakPolarHBondContact O-CG2 3.16Å; Q196-V200 PolarHBondContact O-N 3.44Å
197I95.1Very high93.2Very high1 Ų133.4 Ų33.41%0.00519%0.191CC..Hα-helixtrans-57.9-46.2173.6-64.6170.4000110.1H7 V152 L156 W193 F194 W195 F199 V200 L201H7-I197 WeakPolarHBondContact CD2-CG2 3.45Å; H7-I197 WeakPolarHBondContact NE2-CG2 3.39Å; V152-I197 HydrophobicContact CB-CG1 3.98Å; V152-I197 HydrophobicContact CG2-CG1 3.96Å; V152-I197 HydrophobicContact CG2-CG2 4.09Å; L156-I197 HydrophobicContact CB-CD1 4.13Å; L156-I197 HydrophobicContact CD2-CD1 3.98Å; L156-I197 HydrophobicContact CG-CD1 4.5Å; W193-I197 WeakPolarHBondContact O-CG1 3.46Å; W193-I197 PolarHBondContact O-N 3.29Å; F194-I197 PolarHBondContact O-N 2.89Å; W195-I197 VanDerWaalsContact C-N 3.35Å; W195-I197 PolarHBondContact O-N 2.88Å; I197-F199 PolarHBondContact O-N 3.31Å; I197-V200 PolarHBondContact O-N 3.47Å; I197-L201 HydrophobicContact CG2-CD1 3.65Å; I197-L201 HydrophobicContact CG2-CG 4.17Å; I197-L201 WeakPolarHBondContact O-CB 3.27Å; I197-L201 PolarHBondContact O-N 2.98Å
198G94Very high92.6Very high0 Ų038.7 Ų38.70%023%0.225CC..Hα-helixtrans-53.9-49.3175.500000112.4F4 F194 W195 Q196 Y202F4-G198 WeakPolarHBondContact CD2-O 3.49Å; F194-G198 PolarHBondContact O-N 3.45Å; W195-G198 WeakPolarHBondContact O-CA 3.5Å; W195-G198 PolarHBondContact O-N 2.9Å; W195-G198 VanDerWaalsContact O-N 3.12Å; Q196-G198 VanDerWaalsContact C-N 3.3Å; Q196-G198 PolarHBondContact O-N 3.02Å; G198-Y202 CarbonylContact O-C 3.57Å; G198-Y202 VanDerWaalsContact O-C 3.22Å; G198-Y202 VanDerWaalsContact O-CA 3.28Å; G198-Y202 WeakPolarHBondContact O-CA 3.42Å; G198-Y202 WeakPolarHBondContact O-CB 3.31Å; G198-Y202 PolarHBondContact O-N 3.04Å; G198-Y202 VanDerWaalsContact O-O 3.11Å
199F93.7Very high92.1Very high90 Ų9046.1 Ų46.140%0.39526%0.26SS..Hα-helixtrans-66.9-36.5179.5-72.6-61.5000114F4 W195 Q196 I197 P204F4-F199 AromaticContact CE2-CD1 3.72Å; F4-F199 HydrophobicContact CE2-CD1 3.72Å; F4-F199 AromaticContact CE2-CE1 3.77Å; F4-F199 HydrophobicContact CE2-CE1 3.77Å; F4-F199 HydrophobicContact CE2-CG 4.19Å; F4-F199 HydrophobicContact CE2-CZ 4.3Å; F4-F199 HydrophobicContact CZ-CD1 4.3Å; F4-F199 AromaticContact CZ-CE1 3.87Å; F4-F199 HydrophobicContact CZ-CE1 3.87Å; F4-F199 HydrophobicContact CZ-CZ 4.13Å; W195-F199 HydrophobicContact CB-CE2 4.41Å; W195-F199 AromaticContact CE3-CE2 3.66Å; W195-F199 HydrophobicContact CE3-CE2 3.66Å; W195-F199 AromaticContact CE3-CZ 3.79Å; W195-F199 HydrophobicContact CE3-CZ 3.79Å; W195-F199 HydrophobicContact CZ3-CE2 4.37Å; W195-F199 HydrophobicContact CZ3-CZ 4.03Å; W195-F199 WeakPolarHBondContact O-CD2 3.28Å; W195-F199 PolarHBondContact O-N 3.32Å; Q196-F199 PolarHBondContact O-N 3.32Å; I197-F199 PolarHBondContact O-N 3.31Å; F199-P204 HydrophobicContact CD1-CG 3.99Å; F199-P204 HydrophobicContact CE1-CG 3.89Å
200V93.6Very high91.7Very high2 Ų249.6 Ų49.61%0.01227%0.273CS..Hα-helixtrans-76.1-46.2-177171.90000111.3L148 Q196 I197 W210 L221L148-V200 HydrophobicContact CD2-CG1 4.05Å; Q196-V200 HydrophobicContact CG-CG2 4.39Å; Q196-V200 VanDerWaalsContact O-CG2 3.25Å; Q196-V200 WeakPolarHBondContact O-CG2 3.16Å; Q196-V200 PolarHBondContact O-N 3.44Å; I197-V200 PolarHBondContact O-N 3.47Å; V200-W210 HydrophobicContact CG1-CB 4.47Å; V200-W210 HydrophobicContact CG1-CD2 4.13Å; V200-W210 HydrophobicContact CG1-CE3 4.46Å; V200-W210 HydrophobicContact CG1-CG 4.12Å; V200-L221 HydrophobicContact CG1-CD1 4.16Å; V200-L221 HydrophobicContact CG2-CD2 3.69Å
201L91.9Very high91.4Very high19 Ų1953.9 Ų53.910%0.09930%0.296CS..Hα-helixtrans-87.1-25.6-176.2-61.2-176000113.1D149 V152 I197D149-L201 HydrophobicContact CB-CD1 4.17Å; D149-L201 HydrophobicContact CB-CD2 4.09Å; V152-L201 HydrophobicContact CG2-CD1 4.16Å; V152-L201 HydrophobicContact CG2-CG 4.44Å; I197-L201 HydrophobicContact CG2-CD1 3.65Å; I197-L201 HydrophobicContact CG2-CG 4.17Å; I197-L201 WeakPolarHBondContact O-CB 3.27Å; I197-L201 PolarHBondContact O-N 2.98Å
202Y91.5Very high90.9Very high66 Ų6656.1 Ų56.126%0.25931%0.306SS..SBendtrans-138.665.3-174.1-52.1-80.3000111.3G2 F4 H7 G198 P204G2-Y202 VanDerWaalsContact C-OH 3.25Å; G2-Y202 VanDerWaalsContact CA-OH 3.29Å; G2-Y202 WeakPolarHBondContact CA-OH 3.48Å; G2-Y202 WeakPolarHBondContact O-CE1 3.39Å; G2-Y202 VanDerWaalsContact O-CZ 3.28Å; G2-Y202 PolarHBondContact O-OH 2.71Å; F4-Y202 WeakPolarHBondContact CD2-O 3.13Å; H7-Y202 AromaticContact CE1-CE2 3.44Å; H7-Y202 VanDerWaalsContact CE1-CE2 3.44Å; H7-Y202 WeakPolarHBondContact CE1-CE2 3.35Å; H7-Y202 AromaticContact ND1-CD2 3.98Å; H7-Y202 AromaticContact ND1-CE2 3.81Å; G198-Y202 CarbonylContact O-C 3.57Å; G198-Y202 VanDerWaalsContact O-C 3.22Å; G198-Y202 VanDerWaalsContact O-CA 3.28Å; G198-Y202 WeakPolarHBondContact O-CA 3.42Å; G198-Y202 WeakPolarHBondContact O-CB 3.31Å; G198-Y202 PolarHBondContact O-N 3.04Å; G198-Y202 VanDerWaalsContact O-O 3.11Å; Y202-P204 WeakPolarHBondContact O-CD 3.5Å; Y202-P204 VanDerWaalsContact O-N 3.11Å
203P89.4Confident90.4Very high22 Ų2261.6 Ų61.614%0.14333%0.331CS..  trans-57116.1-176.220.3-31000111.7N205 G206 S207P203-N205 VanDerWaalsContact C-N 3.26Å; P203-N205 PolarHBondContact O-N 3.43Å; P203-G206 PolarHBondContact O-N 3.08Å; P203-S207 WeakPolarHBondContact CB-OG 3.29Å; P203-S207 WeakPolarHBondContact CG-O 3.4Å
204P83.8Confident90.1Very high71 Ų7164 Ų6446%0.46134%0.344SS..THydrogen-bonded Turntrans-70.9-21.7-169.726.4-34.5000113.6F4 F199 Y202 G206F4-P204 HydrophobicContact CD2-CB 4.49Å; F4-P204 HydrophobicContact CD2-CG 4.42Å; F4-P204 HydrophobicContact CE2-CB 4.48Å; F4-P204 HydrophobicContact CE2-CG 4.04Å; F4-P204 HydrophobicContact CZ-CG 4.31Å; F199-P204 HydrophobicContact CD1-CG 3.99Å; F199-P204 HydrophobicContact CE1-CG 3.89Å; Y202-P204 WeakPolarHBondContact O-CD 3.5Å; Y202-P204 VanDerWaalsContact O-N 3.11Å; P204-G206 VanDerWaalsContact C-N 3.35Å
205N84.3Confident89.8Confident154 Ų15469.4 Ų69.482%0.82437%0.369SS*.THydrogen-bonded Turntrans-93.79.5-177.8-63.7-14.5000113P203 S207P203-N205 VanDerWaalsContact C-N 3.26Å; P203-N205 PolarHBondContact O-N 3.43Å; N205-S207 PolarHBondContact O-N 3.29Å
206G77.4Confident89.7Confident69 Ų6969.7 Ų69.771%0.71138%0.38SS*.  trans6522.5-176.200000113.6P203 P204P203-G206 PolarHBondContact O-N 3.08Å; P204-G206 VanDerWaalsContact C-N 3.35Å
207S82.4Confident89.6Confident59 Ų5969.3 Ų69.341%0.41338%0.379SS..PPolyproline II helixtrans-60.9153.9171.159.30000110P203 N205 E209P203-S207 WeakPolarHBondContact CB-OG 3.29Å; P203-S207 WeakPolarHBondContact CG-O 3.4Å; N205-S207 PolarHBondContact O-N 3.29Å; S207-E209 PolarHBondContact O-N 3.29Å
208P86.3Confident89.5Confident118 Ų11871 Ų7177%0.76639%0.387SS*.PPolyproline II helixtrans-50.3135.5179-2734.6000111.9
209E88.1Confident89.6Confident160 Ų16076.5 Ų76.575%0.74841%0.414SS*.PPolyproline II helixtrans-61.4144.7176.2-68.8-176.9-178.300110.5S207S207-E209 PolarHBondContact O-N 3.29Å
210W90.6Very high89.7Confident73 Ų7376.7 Ų76.728%0.27742%0.415SS..PPolyproline II helixtrans-68.2137.6176.7-73.759.3000109.9L148 V200 Q212 N217 F220L148-W210 HydrophobicContact CD2-CB 3.75Å; V200-W210 HydrophobicContact CG1-CB 4.47Å; V200-W210 HydrophobicContact CG1-CD2 4.13Å; V200-W210 HydrophobicContact CG1-CE3 4.46Å; V200-W210 HydrophobicContact CG1-CG 4.12Å; W210-Q212 PolarHBondContact O-N 3.43Å; W210-N217 HydrophobicContact CE3-CB 3.92Å; W210-N217 HydrophobicContact CZ3-CB 4.17Å; W210-F220 AromaticContact CH2-CD1 3.77Å; W210-F220 HydrophobicContact CH2-CD1 3.77Å; W210-F220 AromaticContact CH2-CE1 3.76Å; W210-F220 HydrophobicContact CH2-CE1 3.76Å; W210-F220 AromaticContact CZ3-CD1 3.99Å; W210-F220 HydrophobicContact CZ3-CD1 3.99Å; W210-F220 HydrophobicContact CZ3-CE1 4.44Å
211N90.3Very high89.9Confident93 Ų9376.6 Ų76.650%0.49741%0.414SS..  trans-63.8109.8173.3-177.9-7.6000109.7M213 D214 N217N211-M213 PolarHBondContact O-N 3.22Å; N211-M213 PolarHBondContact OD1-N 2.97Å; N211-D214 HydrophobicContact CB-CB 3.84Å; N211-D214 PolarHBondContact O-N 3.4Å; N211-N217 PolarHBondContact O-ND2 3.37Å
212Q88.6Confident90.1Very high47 Ų4778.3 Ų78.322%0.2243%0.426CS..THydrogen-bonded Turntrans-68.9-14.3-174-63.3-70.5-41.300114.1A146 L148 W210A146-Q212 HydrophobicContact CB-CB 3.91Å; A146-Q212 HydrophobicContact CB-CG 4.27Å; L148-Q212 HydrophobicContact CB-CB 4.38Å; L148-Q212 WeakPolarHBondContact CB-O 3.39Å; L148-Q212 PolarHBondContact N-O 2.98Å; L148-Q212 VanDerWaalsContact N-O 3.15Å; W210-Q212 PolarHBondContact O-N 3.43Å
213M88.6Confident90.4Very high134 Ų13479.7 Ų79.766%0.6644%0.436SS*.THydrogen-bonded Turntrans-109.4-1.4-179-60-59.2-71.300112.8M147 N211 H215M147-M213 HydrophobicContact CB-SD 4.36Å; M147-M213 HydrophobicContact CG-CE 4.3Å; M147-M213 HydrophobicContact CG-SD 4.12Å; N211-M213 PolarHBondContact O-N 3.22Å; N211-M213 PolarHBondContact OD1-N 2.97Å; M213-H215 PolarHBondContact O-N 3.07Å
214D90.8Very high90.9Very high50 Ų5079.5 Ų79.527%0.26744%0.435SS..  trans-79.1118.8-178.2-171.2-14.1000111.2N211 T216 N217N211-D214 HydrophobicContact CB-CB 3.84Å; N211-D214 PolarHBondContact O-N 3.4Å; D214-T216 VanDerWaalsContact C-N 3.27Å; D214-T216 PolarHBondContact O-N 2.97Å; D214-T216 WeakPolarHBondContact OD1-CB 3.37Å; D214-T216 PolarHBondContact OD1-N 2.82Å; D214-T216 PolarHBondContact OD1-OG1 3.03Å; D214-T216 PolarHBondContact OD2-OG1 2.82Å; D214-T216 VanDerWaalsContact OD2-OG1 3.11Å; D214-N217 HydrophobicContact CB-CB 4.36Å; D214-N217 WeakPolarHBondContact O-CB 3.42Å; D214-N217 PolarHBondContact O-N 3.36Å
215H91.5Very high91.6Very high118 Ų11877.3 Ų77.355%0.54642%0.417SS..Hα-helixtrans-64.3-31.3177.4-176.171.6000113.3M213 N217 M218 M219M213-H215 PolarHBondContact O-N 3.07Å; H215-N217 VanDerWaalsContact C-N 3.3Å; H215-N217 PolarHBondContact O-N 3.34Å; H215-M218 HydrophobicContact CB-CE 4.11Å; H215-M218 WeakPolarHBondContact O-CB 3.45Å; H215-M218 PolarHBondContact O-N 3.35Å; H215-M218 VanDerWaalsContact O-N 3.12Å; H215-M219 PolarHBondContact O-N 2.88Å
216T94.8Very high92.2Very high83 Ų8373.8 Ų73.851%0.50940%0.404SS..Hα-helixtrans-68.1-32.3-179.366.70000111.8D214 M218 M219 F220D214-T216 VanDerWaalsContact C-N 3.27Å; D214-T216 PolarHBondContact O-N 2.97Å; D214-T216 WeakPolarHBondContact OD1-CB 3.37Å; D214-T216 PolarHBondContact OD1-N 2.82Å; D214-T216 PolarHBondContact OD1-OG1 3.03Å; D214-T216 PolarHBondContact OD2-OG1 2.82Å; D214-T216 VanDerWaalsContact OD2-OG1 3.11Å; T216-M218 VanDerWaalsContact C-N 3.35Å; T216-M218 PolarHBondContact O-N 3.36Å; T216-M219 PolarHBondContact O-N 3.37Å; T216-F220 WeakPolarHBondContact O-CB 3.43Å; T216-F220 PolarHBondContact O-N 3.01Å
217N94.4Very high93.2Very high27 Ų2778.9 Ų78.914%0.14440%0.402CS..Hα-helixtrans-61.9-41.5170.8-72.2-23.1000111.6L148 W210 N211 D214 H215 F220 L221L148-N217 HydrophobicContact CD1-CB 3.88Å; W210-N217 HydrophobicContact CE3-CB 3.92Å; W210-N217 HydrophobicContact CZ3-CB 4.17Å; N211-N217 PolarHBondContact O-ND2 3.37Å; D214-N217 HydrophobicContact CB-CB 4.36Å; D214-N217 WeakPolarHBondContact O-CB 3.42Å; D214-N217 PolarHBondContact O-N 3.36Å; H215-N217 VanDerWaalsContact C-N 3.3Å; H215-N217 PolarHBondContact O-N 3.34Å; N217-F220 PolarHBondContact O-N 2.81Å; N217-L221 WeakPolarHBondContact O-CB 3.42Å; N217-L221 WeakPolarHBondContact O-CD1 3.29Å; N217-L221 VanDerWaalsContact O-CG 3.24Å; N217-L221 WeakPolarHBondContact O-CG 3.33Å; N217-L221 PolarHBondContact O-N 3.39Å
218M93.6Very high94Very high36 Ų3678 Ų7818%0.17739%0.391CS..Hα-helixtrans-65.5-40.8176.9-64.9-173.8-78.400111.9L148 H151 H215 T216 L221 T222L148-M218 HydrophobicContact CD1-CG 3.97Å; H151-M218 HydrophobicContact CB-CG 4.21Å; H151-M218 HydrophobicContact CB-SD 4.16Å; H151-M218 PolarHBondContact NE2-O 3.22Å; H215-M218 HydrophobicContact CB-CE 4.11Å; H215-M218 WeakPolarHBondContact O-CB 3.45Å; H215-M218 PolarHBondContact O-N 3.35Å; H215-M218 VanDerWaalsContact O-N 3.12Å; T216-M218 VanDerWaalsContact C-N 3.35Å; T216-M218 PolarHBondContact O-N 3.36Å; M218-L221 PolarHBondContact O-N 3.07Å; M218-T222 WeakPolarHBondContact O-CB 3.24Å; M218-T222 PolarHBondContact O-N 3.36Å; M218-T222 PolarHBondContact O-OG1 3.34Å
219M95.1Very high94.6Very high115 Ų11575.1 Ų75.157%0.56737%0.365SS*.Hα-helixtrans-62-47.4174.5-67.5-179.567.900111.4H215 T216 L221 T222 M223H215-M219 PolarHBondContact O-N 2.88Å; T216-M219 PolarHBondContact O-N 3.37Å; M219-L221 PolarHBondContact O-N 3.23Å; M219-T222 PolarHBondContact O-N 2.77Å; M219-M223 PolarHBondContact O-N 3.36Å
220F96.7Very high95.1Very high94 Ų9470 Ų7041%0.41235%0.351SS..Hα-helixtrans-58.9-45.9176.7173.3-96.3000111.6W210 T216 N217 T222 M223 C224W210-F220 AromaticContact CH2-CD1 3.77Å; W210-F220 HydrophobicContact CH2-CD1 3.77Å; W210-F220 AromaticContact CH2-CE1 3.76Å; W210-F220 HydrophobicContact CH2-CE1 3.76Å; W210-F220 AromaticContact CZ3-CD1 3.99Å; W210-F220 HydrophobicContact CZ3-CD1 3.99Å; W210-F220 HydrophobicContact CZ3-CE1 4.44Å; T216-F220 WeakPolarHBondContact O-CB 3.43Å; T216-F220 PolarHBondContact O-N 3.01Å; N217-F220 PolarHBondContact O-N 2.81Å; F220-T222 PolarHBondContact O-N 3.35Å; F220-M223 HydrophobicContact CD2-CE 3.88Å; F220-M223 HydrophobicContact CE2-CE 4Å; F220-M223 WeakPolarHBondContact O-CB 3.36Å; F220-M223 PolarHBondContact O-N 3.46Å; F220-C224 HydrophobicContact CE1-CB 4.3Å; F220-C224 VanDerWaalsContact O-CB 3.3Å; F220-C224 WeakPolarHBondContact O-CB 3.49Å; F220-C224 PolarHBondContact O-N 2.88Å
221L97.3Very high95.4Very high0 Ų072.6 Ų72.60%036%0.364CS..Hα-helixtrans-68.3-35.6-178.7-71.3162.9000112.2L148 V152 W193 V200 N217 M218 M219 M223 C224 Y225L148-L221 HydrophobicContact CD1-CD1 3.42Å; L148-L221 VanDerWaalsContact CD1-CD1 3.42Å; L148-L221 HydrophobicContact CG-CD1 4.25Å; V152-L221 HydrophobicContact CG1-CD1 3.64Å; V152-L221 HydrophobicContact CG1-CG 4.47Å; W193-L221 HydrophobicContact CH2-CB 4.38Å; W193-L221 HydrophobicContact CH2-CD2 4.37Å; W193-L221 VanDerWaalsContact CH2-O 3.26Å; W193-L221 WeakPolarHBondContact CH2-O 3.26Å; V200-L221 HydrophobicContact CG1-CD1 4.16Å; V200-L221 HydrophobicContact CG2-CD2 3.69Å; N217-L221 WeakPolarHBondContact O-CB 3.42Å; N217-L221 WeakPolarHBondContact O-CD1 3.29Å; N217-L221 VanDerWaalsContact O-CG 3.24Å; N217-L221 WeakPolarHBondContact O-CG 3.33Å; N217-L221 PolarHBondContact O-N 3.39Å; M218-L221 PolarHBondContact O-N 3.07Å; M219-L221 PolarHBondContact O-N 3.23Å; L221-M223 VanDerWaalsContact C-N 3.34Å; L221-M223 PolarHBondContact O-N 3.18Å; L221-C224 PolarHBondContact O-N 3.4Å; L221-Y225 WeakPolarHBondContact O-CB 3.23Å; L221-Y225 PolarHBondContact O-N 2.97Å
222T97.3Very high95.8Very high55 Ų5568.1 Ų68.134%0.33734%0.34SS..Hα-helixtrans-61.6-44.7172.4-52.60000111.2H151 M218 M219 F220 Y225 C226H151-T222 PolarHBondContact CE1-OG1 3.38Å; H151-T222 VanDerWaalsContact CE1-OG1 3.27Å; H151-T222 PolarHBondContact NE2-OG1 3.43Å; M218-T222 WeakPolarHBondContact O-CB 3.24Å; M218-T222 PolarHBondContact O-N 3.36Å; M218-T222 PolarHBondContact O-OG1 3.34Å; M219-T222 PolarHBondContact O-N 2.77Å; F220-T222 PolarHBondContact O-N 3.35Å; T222-Y225 WeakPolarHBondContact O-CB 3.48Å; T222-Y225 PolarHBondContact O-N 2.9Å; T222-C226 PolarHBondContact O-N 2.99Å
223M98.1Very high96.3Very high95 Ų9570.4 Ų70.447%0.46835%0.35SS..Hα-helixtrans-63.5-45.9174.3-177.2-164.267.600111.1M219 F220 L221 Y225 C226 W227M219-M223 PolarHBondContact O-N 3.36Å; F220-M223 HydrophobicContact CD2-CE 3.88Å; F220-M223 HydrophobicContact CE2-CE 4Å; F220-M223 WeakPolarHBondContact O-CB 3.36Å; F220-M223 PolarHBondContact O-N 3.46Å; L221-M223 VanDerWaalsContact C-N 3.34Å; L221-M223 PolarHBondContact O-N 3.18Å; M223-Y225 VanDerWaalsContact C-N 3.3Å; M223-Y225 PolarHBondContact O-N 2.94Å; M223-C226 WeakPolarHBondContact O-CB 3.45Å; M223-C226 PolarHBondContact O-N 3.29Å; M223-C226 VanDerWaalsContact O-N 3.09Å; M223-W227 PolarHBondContact O-N 3.42Å; M223-W227 VanDerWaalsContact O-N 3.1Å
224C98.1Very high96.7Very high18 Ų1868.7 Ų68.712%0.12234%0.343CS..Hα-helixtrans-57.6-41.7178.5-173.70000111.5W193 F220 L221 C226 W227 H228W193-C224 HydrophobicContact CZ3-CB 4.44Å; F220-C224 HydrophobicContact CE1-CB 4.3Å; F220-C224 VanDerWaalsContact O-CB 3.3Å; F220-C224 WeakPolarHBondContact O-CB 3.49Å; F220-C224 PolarHBondContact O-N 2.88Å; L221-C224 PolarHBondContact O-N 3.4Å; C224-C226 VanDerWaalsContact C-N 3.31Å; C224-C226 PolarHBondContact O-N 3.26Å; C224-W227 WeakPolarHBondContact O-CA 3.28Å; C224-W227 WeakPolarHBondContact O-CB 3.39Å; C224-W227 PolarHBondContact O-N 3.08Å; C224-H228 PolarHBondContact O-CD2 3.4Å; C224-H228 VanDerWaalsContact O-CD2 3.27Å; C224-H228 PolarHBondContact O-N 3.35Å
225Y98.5Very high97.1Very high26 Ų2667.7 Ų67.710%0.10234%0.337CS..Hα-helixtrans-56.1-44.4174-175.3-97.7000112.5L155 A159 L189 W193 L221 T222 M223 W227 H228 Y229L155-Y225 HydrophobicContact CB-CD2 3.81Å; L155-Y225 HydrophobicContact CB-CE2 3.96Å; L155-Y225 HydrophobicContact CB-CG 4.27Å; L155-Y225 HydrophobicContact CD1-CG 4.4Å; L155-Y225 HydrophobicContact CD2-CD1 4.25Å; L155-Y225 HydrophobicContact CD2-CG 4.2Å; L155-Y225 WeakPolarHBondContact O-CE2 3.27Å; L155-Y225 PolarHBondContact O-OH 2.87Å; L155-Y225 VanDerWaalsContact O-OH 3.05Å; A159-Y225 WeakPolarHBondContact CB-OH 3.47Å; A159-Y225 PolarHBondContact N-OH 3.37Å; L189-Y225 HydrophobicContact CD1-CD2 4.23Å; L189-Y225 HydrophobicContact CD1-CE2 3.94Å; L189-Y225 HydrophobicContact CD2-CE1 3.93Å; L189-Y225 HydrophobicContact CD2-CE2 4.07Å; L189-Y225 VanDerWaalsContact CD2-CZ 3.5Å; L189-Y225 VanDerWaalsContact CD2-OH 3.23Å; L189-Y225 WeakPolarHBondContact CD2-OH 3.37Å; L189-Y225 HydrophobicContact CG-CE2 4.01Å; W193-Y225 AromaticContact CD2-CD2 3.45Å; W193-Y225 HydrophobicContact CD2-CD2 3.45Å; W193-Y225 VanDerWaalsContact CD2-CD2 3.45Å; W193-Y225 HydrophobicContact CD2-CE2 4.04Å; W193-Y225 AromaticContact CE2-CD2 3.61Å; W193-Y225 AromaticContact CE3-CD2 3.62Å; W193-Y225 HydrophobicContact CE3-CD2 3.62Å; W193-Y225 HydrophobicContact CE3-CG 4.4Å; W193-Y225 AromaticContact CG-CD2 3.92Å; W193-Y225 HydrophobicContact CG-CD2 3.92Å; W193-Y225 HydrophobicContact CG-CE2 4.01Å; W193-Y225 HydrophobicContact CH2-CD2 4.11Å; W193-Y225 HydrophobicContact CH2-CG 4.41Å; W193-Y225 AromaticContact CZ2-CD2 3.95Å; W193-Y225 HydrophobicContact CZ2-CD2 3.95Å; W193-Y225 AromaticContact CZ3-CD2 3.94Å; W193-Y225 HydrophobicContact CZ3-CD2 3.94Å; W193-Y225 HydrophobicContact CZ3-CG 4.33Å; L221-Y225 WeakPolarHBondContact O-CB 3.23Å; L221-Y225 PolarHBondContact O-N 2.97Å; T222-Y225 WeakPolarHBondContact O-CB 3.48Å; T222-Y225 PolarHBondContact O-N 2.9Å; M223-Y225 VanDerWaalsContact C-N 3.3Å; M223-Y225 PolarHBondContact O-N 2.94Å; Y225-W227 VanDerWaalsContact C-N 3.32Å; Y225-W227 PolarHBondContact O-N 3.16Å; Y225-H228 WeakPolarHBondContact O-CB 3.29Å; Y225-H228 PolarHBondContact O-N 3.45Å; Y225-Y229 PolarHBondContact O-N 3.42Å
226C98.4Very high97.4Very high80 Ų8062.7 Ų62.754%0.54131%0.314SS..Hα-helixtrans-63.6-36.9175.4-64.50000112.2T222 M223 C224 Y229 A230T222-C226 PolarHBondContact O-N 2.99Å; M223-C226 WeakPolarHBondContact O-CB 3.45Å; M223-C226 PolarHBondContact O-N 3.29Å; M223-C226 VanDerWaalsContact O-N 3.09Å; C224-C226 VanDerWaalsContact C-N 3.31Å; C224-C226 PolarHBondContact O-N 3.26Å; C226-Y229 PolarHBondContact O-N 3.2Å; C226-A230 PolarHBondContact O-N 2.85Å
227W98.5Very high97.5Very high175 Ų17561.2 Ų61.266%0.66331%0.31SS*.Hα-helixtrans-65-42.6173.7-77.6103000112.5M223 C224 Y225 Y229 A230 F231M223-W227 PolarHBondContact O-N 3.42Å; M223-W227 VanDerWaalsContact O-N 3.1Å; C224-W227 WeakPolarHBondContact O-CA 3.28Å; C224-W227 WeakPolarHBondContact O-CB 3.39Å; C224-W227 PolarHBondContact O-N 3.08Å; Y225-W227 VanDerWaalsContact C-N 3.32Å; Y225-W227 PolarHBondContact O-N 3.16Å; W227-Y229 PolarHBondContact O-N 3.26Å; W227-A230 PolarHBondContact O-N 3.4Å; W227-F231 WeakPolarHBondContact O-CB 3.44Å; W227-F231 PolarHBondContact O-N 3.33Å
228H98.6Very high97.7Very high40 Ų4063.1 Ų63.119%0.18532%0.323CS..Hα-helixtrans-56.7-42.2172.5-85-112.9000111.1L189 S192 C224 Y225 F231 A232L189-H228 HydrophobicContact CD1-CB 3.67Å; S192-H228 WeakPolarHBondContact CB-ND1 3.46Å; S192-H228 PolarHBondContact OG-ND1 2.93Å; C224-H228 PolarHBondContact O-CD2 3.4Å; C224-H228 VanDerWaalsContact O-CD2 3.27Å; C224-H228 PolarHBondContact O-N 3.35Å; Y225-H228 WeakPolarHBondContact O-CB 3.29Å; Y225-H228 PolarHBondContact O-N 3.45Å; H228-F231 PolarHBondContact O-N 3.26Å; H228-A232 PolarHBondContact O-N 3.06Å
229Y98.5Very high97.9Very high58 Ų5863 Ų6323%0.22732%0.323CS..Hα-helixtrans-71.4-39.3-179.9-165.4-146.3000112.9L182 L186 L189 Y225 C226 W227 F231 A232 F233L182-Y229 WeakPolarHBondContact CD1-OH 3.41Å; L186-Y229 HydrophobicContact CD2-CE2 4.07Å; L189-Y229 HydrophobicContact CB-CD2 4.16Å; L189-Y229 HydrophobicContact CD2-CD2 3.63Å; L189-Y229 HydrophobicContact CD2-CE2 4.21Å; L189-Y229 HydrophobicContact CD2-CG 3.83Å; L189-Y229 HydrophobicContact CG-CD2 4.37Å; Y225-Y229 PolarHBondContact O-N 3.42Å; C226-Y229 PolarHBondContact O-N 3.2Å; W227-Y229 PolarHBondContact O-N 3.26Å; Y229-F231 VanDerWaalsContact C-N 3.29Å; Y229-F231 PolarHBondContact O-N 2.84Å; Y229-A232 HydrophobicContact CD2-CB 4.34Å; Y229-A232 WeakPolarHBondContact O-CB 3.44Å; Y229-A232 PolarHBondContact O-N 3.15Å; Y229-F233 HydrophobicContact CD1-CD2 4.48Å; Y229-F233 AromaticContact CD1-CE2 3.92Å; Y229-F233 HydrophobicContact CD1-CE2 3.92Å; Y229-F233 HydrophobicContact CD2-CD2 4.29Å; Y229-F233 HydrophobicContact CD2-CE2 4.05Å; Y229-F233 HydrophobicContact CE1-CD2 4.43Å; Y229-F233 AromaticContact CE1-CE2 3.48Å; Y229-F233 HydrophobicContact CE1-CE2 3.48Å; Y229-F233 VanDerWaalsContact CE1-CE2 3.48Å; Y229-F233 HydrophobicContact CE1-CZ 4.17Å; Y229-F233 HydrophobicContact CE2-CD2 4.24Å; Y229-F233 AromaticContact CE2-CE2 3.63Å; Y229-F233 HydrophobicContact CE2-CE2 3.63Å; Y229-F233 HydrophobicContact CE2-CZ 4.1Å; Y229-F233 HydrophobicContact CG-CD2 4.42Å; Y229-F233 HydrophobicContact CG-CE2 4.2Å; Y229-F233 AromaticContact CZ-CE2 3.31Å; Y229-F233 AromaticContact CZ-CZ 3.68Å; Y229-F233 WeakPolarHBondContact O-CD2 3.47Å; Y229-F233 PolarHBondContact O-N 3.44Å; Y229-F233 WeakPolarHBondContact OH-CZ 3.09Å
230A98.4Very high97.9Very high54 Ų5461.3 Ų61.345%0.44631%0.311SS..Hα-helixtrans-58.9-42.3171.700000111.5C226 W227 F233 L234C226-A230 PolarHBondContact O-N 2.85Å; W227-A230 PolarHBondContact O-N 3.4Å; A230-F233 PolarHBondContact O-N 2.8Å; A230-L234 PolarHBondContact O-N 3.36Å
231F98Very high97.9Very high126 Ų12661.1 Ų61.155%0.55332%0.318SS*.Hα-helixtrans-67-37.3176-169.4-106.6000112.5W227 H228 Y229 F233 L234 I235W227-F231 WeakPolarHBondContact O-CB 3.44Å; W227-F231 PolarHBondContact O-N 3.33Å; H228-F231 PolarHBondContact O-N 3.26Å; Y229-F231 VanDerWaalsContact C-N 3.29Å; Y229-F231 PolarHBondContact O-N 2.84Å; F231-F233 VanDerWaalsContact C-N 3.34Å; F231-F233 PolarHBondContact O-N 3.47Å; F231-L234 HydrophobicContact CD2-CD2 4.09Å; F231-L234 HydrophobicContact CE2-CD2 4.2Å; F231-L234 WeakPolarHBondContact O-CB 3.44Å; F231-L234 PolarHBondContact O-N 3.25Å; F231-L234 VanDerWaalsContact O-N 3.16Å; F231-I235 HydrophobicContact CD1-CD1 3.65Å; F231-I235 HydrophobicContact CD1-CG1 4.22Å; F231-I235 HydrophobicContact CE1-CD1 3.49Å; F231-I235 VanDerWaalsContact CE1-CD1 3.49Å; F231-I235 HydrophobicContact CE1-CG1 3.96Å; F231-I235 HydrophobicContact CZ-CD1 4.34Å; F231-I235 HydrophobicContact CZ-CG1 4.34Å; F231-I235 WeakPolarHBondContact O-CG1 3.46Å; F231-I235 PolarHBondContact O-N 3.05Å
232A98.4Very high97.8Very high0 Ų065.5 Ų65.50%034%0.34CS..Hα-helixtrans-57.7-46.8171.800000110.9I188 H228 Y229 L234 I235 L236I188-A232 HydrophobicContact CB-CB 4.09Å; I188-A232 HydrophobicContact CG2-CB 3.78Å; H228-A232 PolarHBondContact O-N 3.06Å; Y229-A232 HydrophobicContact CD2-CB 4.34Å; Y229-A232 WeakPolarHBondContact O-CB 3.44Å; Y229-A232 PolarHBondContact O-N 3.15Å; A232-L234 VanDerWaalsContact C-N 3.33Å; A232-L234 PolarHBondContact O-N 3.03Å; A232-I235 WeakPolarHBondContact O-CB 3.25Å; A232-I235 PolarHBondContact O-N 2.94Å; A232-L236 WeakPolarHBondContact O-CD1 3.36Å; A232-L236 PolarHBondContact O-N 3.43Å
233F97.9Very high97.7Very high94 Ų9463.6 Ų63.641%0.41233%0.328SS..Hα-helixtrans-61.9-38174.5-81.7-67.8000113.5Y229 A230 F231 L236 A237Y229-F233 HydrophobicContact CD1-CD2 4.48Å; Y229-F233 AromaticContact CD1-CE2 3.92Å; Y229-F233 HydrophobicContact CD1-CE2 3.92Å; Y229-F233 HydrophobicContact CD2-CD2 4.29Å; Y229-F233 HydrophobicContact CD2-CE2 4.05Å; Y229-F233 HydrophobicContact CE1-CD2 4.43Å; Y229-F233 AromaticContact CE1-CE2 3.48Å; Y229-F233 HydrophobicContact CE1-CE2 3.48Å; Y229-F233 VanDerWaalsContact CE1-CE2 3.48Å; Y229-F233 HydrophobicContact CE1-CZ 4.17Å; Y229-F233 HydrophobicContact CE2-CD2 4.24Å; Y229-F233 AromaticContact CE2-CE2 3.63Å; Y229-F233 HydrophobicContact CE2-CE2 3.63Å; Y229-F233 HydrophobicContact CE2-CZ 4.1Å; Y229-F233 HydrophobicContact CG-CD2 4.42Å; Y229-F233 HydrophobicContact CG-CE2 4.2Å; Y229-F233 AromaticContact CZ-CE2 3.31Å; Y229-F233 AromaticContact CZ-CZ 3.68Å; Y229-F233 WeakPolarHBondContact O-CD2 3.47Å; Y229-F233 PolarHBondContact O-N 3.44Å; Y229-F233 WeakPolarHBondContact OH-CZ 3.09Å; A230-F233 PolarHBondContact O-N 2.8Å; F231-F233 VanDerWaalsContact C-N 3.34Å; F231-F233 PolarHBondContact O-N 3.47Å; F233-L236 PolarHBondContact O-N 3.04Å; F233-A237 WeakPolarHBondContact O-CB 3.39Å; F233-A237 PolarHBondContact O-N 3.04Å
234L98.3Very high97.4Very high98 Ų9859.7 Ų59.751%0.51331%0.31SS..Hα-helixtrans-60.8-46.2175-17964.5000111.3A230 F231 A232 L236 A237 V238A230-L234 PolarHBondContact O-N 3.36Å; F231-L234 HydrophobicContact CD2-CD2 4.09Å; F231-L234 HydrophobicContact CE2-CD2 4.2Å; F231-L234 WeakPolarHBondContact O-CB 3.44Å; F231-L234 PolarHBondContact O-N 3.25Å; F231-L234 VanDerWaalsContact O-N 3.16Å; A232-L234 VanDerWaalsContact C-N 3.33Å; A232-L234 PolarHBondContact O-N 3.03Å; L234-L236 VanDerWaalsContact C-N 3.31Å; L234-L236 PolarHBondContact O-N 3.27Å; L234-A237 PolarHBondContact O-N 3.3Å; L234-V238 HydrophobicContact CD1-CG2 4.32Å; L234-V238 WeakPolarHBondContact O-CG2 3.41Å; L234-V238 PolarHBondContact O-N 3.12Å
235I98.1Very high97.1Very high30 Ų3067.3 Ų67.315%0.15434%0.337CS..Hα-helixtrans-56.7-47.4175-68.9163.6000110.4L19 I188 F231 A232 A237 V238 N239L19-I235 HydrophobicContact CD2-CD1 4.48Å; L19-I235 HydrophobicContact CD2-CG2 3.79Å; I188-I235 HydrophobicContact CD1-CG2 4.14Å; I188-I235 HydrophobicContact CG2-CD1 4.19Å; F231-I235 HydrophobicContact CD1-CD1 3.65Å; F231-I235 HydrophobicContact CD1-CG1 4.22Å; F231-I235 HydrophobicContact CE1-CD1 3.49Å; F231-I235 VanDerWaalsContact CE1-CD1 3.49Å; F231-I235 HydrophobicContact CE1-CG1 3.96Å; F231-I235 HydrophobicContact CZ-CD1 4.34Å; F231-I235 HydrophobicContact CZ-CG1 4.34Å; F231-I235 WeakPolarHBondContact O-CG1 3.46Å; F231-I235 PolarHBondContact O-N 3.05Å; A232-I235 WeakPolarHBondContact O-CB 3.25Å; A232-I235 PolarHBondContact O-N 2.94Å; I235-A237 PolarHBondContact O-N 3.43Å; I235-V238 PolarHBondContact O-N 2.83Å; I235-N239 WeakPolarHBondContact CG2-ND2 3.47Å; I235-N239 WeakPolarHBondContact O-CB 3.28Å; I235-N239 PolarHBondContact O-N 3.28Å
236L97.8Very high96.8Very high12 Ų1268 Ų686%0.06335%0.348CS..Hα-helixtrans-60-45.3178.3-88.577.1000111.7M181 T184 I188 A232 F233 L234 N239 Y240M181-L236 HydrophobicContact CB-CD2 3.96Å; M181-L236 HydrophobicContact CE-CD2 4.06Å; M181-L236 HydrophobicContact CE-CG 4.41Å; M181-L236 VanDerWaalsContact O-CD2 3.27Å; M181-L236 WeakPolarHBondContact O-CD2 3.36Å; M181-L236 HydrophobicContact SD-CD2 3.99Å; M181-L236 HydrophobicContact SD-CG 4.42Å; T184-L236 HydrophobicContact CG2-CD1 4.28Å; T184-L236 HydrophobicContact CG2-CG 4.47Å; I188-L236 HydrophobicContact CD1-CD1 3.66Å; A232-L236 WeakPolarHBondContact O-CD1 3.36Å; A232-L236 PolarHBondContact O-N 3.43Å; F233-L236 PolarHBondContact O-N 3.04Å; L234-L236 VanDerWaalsContact C-N 3.31Å; L234-L236 PolarHBondContact O-N 3.27Å; L236-N239 PolarHBondContact O-N 3.42Å; L236-Y240 WeakPolarHBondContact O-CB 3.14Å; L236-Y240 PolarHBondContact O-N 3.21Å
237A97.8Very high96.2Very high52 Ų5265 Ų6543%0.4333%0.327SS..Hα-helixtrans-63.3-43.3179.800000112F233 L234 I235 T241F233-A237 WeakPolarHBondContact O-CB 3.39Å; F233-A237 PolarHBondContact O-N 3.04Å; L234-A237 PolarHBondContact O-N 3.3Å; I235-A237 PolarHBondContact O-N 3.43Å; A237-T241 WeakPolarHBondContact O-CB 3.4Å; A237-T241 PolarHBondContact O-N 2.84Å; A237-T241 PolarHBondContact O-OG1 3.01Å
238V98.1Very high95.7Very high68 Ų6864.8 Ų64.841%0.41233%0.326SS..Hα-helixtrans-63-51.7176.5170.10000110.4L234 I235 Y240 T241 I242L234-V238 HydrophobicContact CD1-CG2 4.32Å; L234-V238 WeakPolarHBondContact O-CG2 3.41Å; L234-V238 PolarHBondContact O-N 3.12Å; I235-V238 PolarHBondContact O-N 2.83Å; V238-Y240 PolarHBondContact O-N 3.37Å; V238-T241 PolarHBondContact O-N 2.98Å; V238-I242 HydrophobicContact CG1-CD1 3.59Å; V238-I242 HydrophobicContact CG1-CG1 4.35Å; V238-I242 VanDerWaalsContact O-CG1 3.32Å; V238-I242 WeakPolarHBondContact O-CG1 3.45Å; V238-I242 PolarHBondContact O-N 3.24Å
239N97.4Very high95.1Very high32 Ų3265.2 Ų65.217%0.17133%0.333CS..Hα-helixtrans-63.9-41.2-179.3-74.5-20.9000112S22 V23 I235 L236 T241 I242 V243S22-N239 PolarHBondContact OG-ND2 3.48Å; V23-N239 HydrophobicContact CG2-CB 4.35Å; I235-N239 WeakPolarHBondContact CG2-ND2 3.47Å; I235-N239 WeakPolarHBondContact O-CB 3.28Å; I235-N239 PolarHBondContact O-N 3.28Å; L236-N239 PolarHBondContact O-N 3.42Å; N239-T241 VanDerWaalsContact C-N 3.31Å; N239-T241 PolarHBondContact O-N 3.42Å; N239-I242 PolarHBondContact O-N 2.91Å; N239-V243 WeakPolarHBondContact O-CB 3.48Å; N239-V243 WeakPolarHBondContact O-CG2 3.3Å; N239-V243 PolarHBondContact O-N 3.03Å
240Y96.3Very high94.4Very high80 Ų8069.1 Ų69.131%0.31435%0.352SS..Hα-helixtrans-59.7-42.8174.8-171.6-78.1000111.6P26 Y29 L236 V238 S244P26-Y240 HydrophobicContact CB-CD2 3.69Å; P26-Y240 HydrophobicContact CB-CE2 4.22Å; P26-Y240 HydrophobicContact CB-CG 4.26Å; P26-Y240 HydrophobicContact CG-CD2 3.73Å; P26-Y240 HydrophobicContact CG-CG 4.38Å; Y29-Y240 HydrophobicContact CD1-CE2 4.33Å; Y29-Y240 WeakPolarHBondContact CD1-OH 3.46Å; Y29-Y240 WeakPolarHBondContact CE1-OH 3.34Å; L236-Y240 WeakPolarHBondContact O-CB 3.14Å; L236-Y240 PolarHBondContact O-N 3.21Å; V238-Y240 PolarHBondContact O-N 3.37Å; Y240-S244 WeakPolarHBondContact CE1-OG 3.26Å; Y240-S244 WeakPolarHBondContact O-CB 3.32Å; Y240-S244 PolarHBondContact O-N 3.45Å; Y240-S244 PolarHBondContact O-OG 2.91Å
241T96.3Very high93.5Very high91 Ų9168 Ų6856%0.55834%0.338SS*.Hα-helixtrans-66.8-47.7179-58.20000111.3A237 V238 N239 V243 S244 W245A237-T241 WeakPolarHBondContact O-CB 3.4Å; A237-T241 PolarHBondContact O-N 2.84Å; A237-T241 PolarHBondContact O-OG1 3.01Å; V238-T241 PolarHBondContact O-N 2.98Å; N239-T241 VanDerWaalsContact C-N 3.31Å; N239-T241 PolarHBondContact O-N 3.42Å; T241-V243 PolarHBondContact O-N 3.1Å; T241-S244 PolarHBondContact O-N 3.31Å; T241-W245 WeakPolarHBondContact O-CB 3.42Å; T241-W245 PolarHBondContact O-N 2.95Å
242I96.3Very high92.7Very high92 Ų9269.6 Ų69.647%0.47234%0.344SS..Hα-helixtrans-59.3-48.9177.9-69.1169.2000110.4V238 N239 S244 W245 A246V238-I242 HydrophobicContact CG1-CD1 3.59Å; V238-I242 HydrophobicContact CG1-CG1 4.35Å; V238-I242 VanDerWaalsContact O-CG1 3.32Å; V238-I242 WeakPolarHBondContact O-CG1 3.45Å; V238-I242 PolarHBondContact O-N 3.24Å; N239-I242 PolarHBondContact O-N 2.91Å; I242-S244 PolarHBondContact O-N 3.36Å; I242-W245 PolarHBondContact O-N 2.98Å; I242-A246 VanDerWaalsContact O-CB 3.27Å; I242-A246 WeakPolarHBondContact O-CB 3.46Å; I242-A246 PolarHBondContact O-N 3.5Å
243V93.4Very high91.8Very high14 Ų1475.7 Ų75.79%0.08537%0.373CS..Hα-helixtrans-63-45.1179.3171.20000110.9V23 P26 L27 N239 T241 W245 A246 V247V23-V243 HydrophobicContact CG1-CG2 3.9Å; P26-V243 HydrophobicContact CB-CB 4.17Å; P26-V243 HydrophobicContact CB-CG1 4.05Å; L27-V243 HydrophobicContact CB-CG1 3.9Å; L27-V243 HydrophobicContact CD1-CG1 4.15Å; N239-V243 WeakPolarHBondContact O-CB 3.48Å; N239-V243 WeakPolarHBondContact O-CG2 3.3Å; N239-V243 PolarHBondContact O-N 3.03Å; T241-V243 PolarHBondContact O-N 3.1Å; V243-W245 VanDerWaalsContact C-N 3.32Å; V243-W245 PolarHBondContact O-N 3.27Å; V243-A246 PolarHBondContact O-N 3.36Å; V243-V247 HydrophobicContact CG1-CG2 4.29Å; V243-V247 WeakPolarHBondContact O-CB 3.43Å; V243-V247 VanDerWaalsContact O-CG2 3.28Å; V243-V247 WeakPolarHBondContact O-CG2 3.43Å; V243-V247 PolarHBondContact O-N 2.91Å
244S92.1Very high90.7Very high14 Ų1473.4 Ų73.410%0.09837%0.368CS..Hα-helixtrans-60.3-43.1177.7-66.80000112Y240 T241 I242 R248Y240-S244 WeakPolarHBondContact CE1-OG 3.26Å; Y240-S244 WeakPolarHBondContact O-CB 3.32Å; Y240-S244 PolarHBondContact O-N 3.45Å; Y240-S244 PolarHBondContact O-OG 2.91Å; T241-S244 PolarHBondContact O-N 3.31Å; I242-S244 PolarHBondContact O-N 3.36Å; S244-R248 WeakPolarHBondContact O-CB 3.37Å; S244-R248 WeakPolarHBondContact O-CD 3.49Å; S244-R248 WeakPolarHBondContact O-CG 3.36Å; S244-R248 PolarHBondContact O-N 3.19Å; S244-R248 VanDerWaalsContact O-N 3.12Å
245W93Very high89.6Confident177 Ų17774.2 Ų74.267%0.6737%0.37SS*.Hα-helixtrans-66.2-50176.9175.179.9000111.6T241 I242 V243 V247 R248 S249T241-W245 WeakPolarHBondContact O-CB 3.42Å; T241-W245 PolarHBondContact O-N 2.95Å; I242-W245 PolarHBondContact O-N 2.98Å; V243-W245 VanDerWaalsContact C-N 3.32Å; V243-W245 PolarHBondContact O-N 3.27Å; W245-V247 PolarHBondContact O-N 3.39Å; W245-R248 PolarHBondContact O-N 3.47Å; W245-S249 WeakPolarHBondContact O-CB 3.47Å; W245-S249 PolarHBondContact O-N 3.01Å; W245-S249 PolarHBondContact O-OG 3.46Å; W245-S249 VanDerWaalsContact O-OG 3.06Å
246A90.7Very high88.5Confident42 Ų4276.8 Ų76.835%0.34739%0.39SS..Hα-helixtrans-59.4-45.2-179.200000112.1I242 V243 K250I242-A246 VanDerWaalsContact O-CB 3.27Å; I242-A246 WeakPolarHBondContact O-CB 3.46Å; I242-A246 PolarHBondContact O-N 3.5Å; V243-A246 PolarHBondContact O-N 3.36Å; A246-K250 WeakPolarHBondContact O-CG 3.45Å; A246-K250 PolarHBondContact O-N 2.92Å; A246-K250 VanDerWaalsContact O-N 3.09Å
247V87.1Confident87.2Confident15 Ų1582 Ų829%0.09142%0.416CS..Hα-helixtrans-63-51.2177175.30000110L27 V30 V243 W245 S249 K250 I251L27-V247 HydrophobicContact CD1-CG2 3.71Å; V30-V247 HydrophobicContact CG1-CB 3.88Å; V30-V247 HydrophobicContact CG1-CG1 3.69Å; V30-V247 HydrophobicContact CG1-CG2 4.33Å; V243-V247 HydrophobicContact CG1-CG2 4.29Å; V243-V247 WeakPolarHBondContact O-CB 3.43Å; V243-V247 VanDerWaalsContact O-CG2 3.28Å; V243-V247 WeakPolarHBondContact O-CG2 3.43Å; V243-V247 PolarHBondContact O-N 2.91Å; W245-V247 PolarHBondContact O-N 3.39Å; V247-S249 VanDerWaalsContact C-N 3.32Å; V247-S249 PolarHBondContact O-N 3.34Å; V247-K250 WeakPolarHBondContact O-CB 3.11Å; V247-K250 PolarHBondContact O-N 3.24Å; V247-K250 VanDerWaalsContact O-N 3.12Å; V247-I251 HydrophobicContact CG1-CD1 4.27Å; V247-I251 HydrophobicContact CG1-CG1 4.37Å; V247-I251 WeakPolarHBondContact O-CG1 3.4Å; V247-I251 PolarHBondContact O-N 2.84Å
248R86.7Confident86.1Confident172 Ų17285 Ų8565%0.64942%0.421SS*.Hα-helixtrans-57.8-41.6179.7-74.2175.5-173.5-146.55.7112.9S244 W245 I251 K252S244-R248 WeakPolarHBondContact O-CB 3.37Å; S244-R248 WeakPolarHBondContact O-CD 3.49Å; S244-R248 WeakPolarHBondContact O-CG 3.36Å; S244-R248 PolarHBondContact O-N 3.19Å; S244-R248 VanDerWaalsContact O-N 3.12Å; W245-R248 PolarHBondContact O-N 3.47Å; R248-I251 WeakPolarHBondContact O-CB 3.47Å; R248-I251 PolarHBondContact O-N 3.09Å; R248-K252 PolarHBondContact O-N 3.36Å
249S86.3Confident84.8Confident48 Ų4888.5 Ų88.534%0.33643%0.434SS..Hα-helixtrans-62.7-41.7176.8-660000111.8W245 V247 K252 Q253W245-S249 WeakPolarHBondContact O-CB 3.47Å; W245-S249 PolarHBondContact O-N 3.01Å; W245-S249 PolarHBondContact O-OG 3.46Å; W245-S249 VanDerWaalsContact O-OG 3.06Å; V247-S249 VanDerWaalsContact C-N 3.32Å; V247-S249 PolarHBondContact O-N 3.34Å; S249-K252 PolarHBondContact O-N 3.36Å; S249-Q253 WeakPolarHBondContact O-CB 3.44Å; S249-Q253 PolarHBondContact O-N 3.46Å
250K83.8Confident83.6Confident141 Ų14188.7 Ų88.761%0.61344%0.444SS*.Hα-helixtrans-62.9-39.7173.7-71.3-80-176.8-177.70112.2A246 V247 Q253 S254A246-K250 WeakPolarHBondContact O-CG 3.45Å; A246-K250 PolarHBondContact O-N 2.92Å; A246-K250 VanDerWaalsContact O-N 3.09Å; V247-K250 WeakPolarHBondContact O-CB 3.11Å; V247-K250 PolarHBondContact O-N 3.24Å; V247-K250 VanDerWaalsContact O-N 3.12Å; K250-Q253 PolarHBondContact O-N 2.84Å; K250-S254 PolarHBondContact O-N 3.1Å
251I79.4Confident82.5Confident29 Ų2990.4 Ų90.415%0.14946%0.458CS..Hα-helixtrans-59.2-51.8175.3-45.8-159.3000110.2N34 A37 V247 R248 Q253 S254 Q255N34-I251 HydrophobicContact CB-CD1 3.59Å; A37-I251 HydrophobicContact CB-CB 4.12Å; A37-I251 HydrophobicContact CB-CD1 3.28Å; A37-I251 HydrophobicContact CB-CG1 3.34Å; A37-I251 HydrophobicContact CB-CG2 4.1Å; V247-I251 HydrophobicContact CG1-CD1 4.27Å; V247-I251 HydrophobicContact CG1-CG1 4.37Å; V247-I251 WeakPolarHBondContact O-CG1 3.4Å; V247-I251 PolarHBondContact O-N 2.84Å; R248-I251 WeakPolarHBondContact O-CB 3.47Å; R248-I251 PolarHBondContact O-N 3.09Å; I251-Q253 VanDerWaalsContact C-N 3.28Å; I251-Q253 PolarHBondContact O-N 3.29Å; I251-S254 PolarHBondContact O-N 3.49Å; I251-Q255 HydrophobicContact CG2-CG 4.43Å; I251-Q255 WeakPolarHBondContact O-CG 3.44Å; I251-Q255 PolarHBondContact O-N 3.04Å
252K80.9Confident81.3Confident160 Ų16091.3 Ų91.370%0.69646%0.459SS*.Hα-helixtrans-60.2-40.6-178.1-171.7179.8179.2-176.40111.4R248 S249 S256R248-K252 PolarHBondContact O-N 3.36Å; S249-K252 PolarHBondContact O-N 3.36Å; K252-S256 WeakPolarHBondContact O-CB 3.24Å; K252-S256 PolarHBondContact O-N 3.38Å
253Q79.7Confident80.2Confident129 Ų12994.3 Ų94.360%0.60347%0.469SS*.Hα-helixtrans-64.4-44.3176.5-170.9178.611.500112.1S249 K250 I251 S256 M257S249-Q253 WeakPolarHBondContact O-CB 3.44Å; S249-Q253 PolarHBondContact O-N 3.46Å; K250-Q253 PolarHBondContact O-N 2.84Å; I251-Q253 VanDerWaalsContact C-N 3.28Å; I251-Q253 PolarHBondContact O-N 3.29Å; Q253-S256 PolarHBondContact O-N 2.78Å; Q253-M257 WeakPolarHBondContact O-CB 3.47Å; Q253-M257 PolarHBondContact O-N 3.15Å
254S75.8Confident79.2Confident45 Ų4597.3 Ų97.332%0.31549%0.487SS..Hα-helixtrans-61.9-47178.1-164.10000111.9K250 I251 S256 M257 E258K250-S254 PolarHBondContact O-N 3.1Å; I251-S254 PolarHBondContact O-N 3.49Å; S254-S256 VanDerWaalsContact C-N 3.33Å; S254-S256 PolarHBondContact O-N 2.9Å; S254-M257 PolarHBondContact O-N 3.28Å; S254-M257 VanDerWaalsContact O-N 3.16Å; S254-E258 PolarHBondContact O-N 2.89Å
255Q74.4Confident78.1Confident115 Ų11599.6 Ų99.654%0.53750%0.503SS..Hα-helixtrans-61.9-40.4177.8-71.2-179.8-3700112.2I251 M257 M259I251-Q255 HydrophobicContact CG2-CG 4.43Å; I251-Q255 WeakPolarHBondContact O-CG 3.44Å; I251-Q255 PolarHBondContact O-N 3.04Å; Q255-M257 VanDerWaalsContact C-N 3.31Å; Q255-M257 PolarHBondContact O-N 3.29Å; Q255-M259 WeakPolarHBondContact O-CB 3.4Å; Q255-M259 PolarHBondContact O-N 3.24Å
256S75.2Confident77Confident84 Ų8496.9 Ų96.959%0.58750%0.498SS*.Hα-helixtrans-65-35.5176.1-172.60000112.4K252 Q253 S254 G260K252-S256 WeakPolarHBondContact O-CB 3.24Å; K252-S256 PolarHBondContact O-N 3.38Å; Q253-S256 PolarHBondContact O-N 2.78Å; S254-S256 VanDerWaalsContact C-N 3.33Å; S254-S256 PolarHBondContact O-N 2.9Å; S256-G260 PolarHBondContact O-N 3.2Å; S256-G260 VanDerWaalsContact O-N 3.1Å
257M71.8Confident75.9Confident123 Ų123103.8 Ų103.861%0.60652%0.515SS*.Hα-helixtrans-73.5-43.2179.2-170.717167.600111.7Q253 S254 Q255 M259 G260 L261Q253-M257 WeakPolarHBondContact O-CB 3.47Å; Q253-M257 PolarHBondContact O-N 3.15Å; S254-M257 PolarHBondContact O-N 3.28Å; S254-M257 VanDerWaalsContact O-N 3.16Å; Q255-M257 VanDerWaalsContact C-N 3.31Å; Q255-M257 PolarHBondContact O-N 3.29Å; M257-M259 VanDerWaalsContact C-N 3.34Å; M257-M259 PolarHBondContact O-N 2.72Å; M257-G260 PolarHBondContact O-N 3Å; M257-L261 WeakPolarHBondContact O-CG 3.3Å; M257-L261 PolarHBondContact O-N 2.95Å
258E73.9Confident75Confident115 Ų115107.4 Ų107.454%0.53753%0.533SS..Hα-helixtrans-60-43.8173.9-74.6176170.400111.7S254 G260 L261 L262S254-E258 PolarHBondContact O-N 2.89Å; E258-G260 VanDerWaalsContact C-N 3.31Å; E258-G260 PolarHBondContact O-N 2.94Å; E258-L261 PolarHBondContact O-N 3.48Å; E258-L262 WeakPolarHBondContact O-CG 3.5Å; E258-L262 PolarHBondContact O-N 3.27Å
259M70.8Confident73.9Confident140 Ų140104.8 Ų104.869%0.6953%0.529SS*.Hα-helixtrans-66-33.6177.2-164.6173.9-65.200112.6Q255 M257 K263Q255-M259 WeakPolarHBondContact O-CB 3.4Å; Q255-M259 PolarHBondContact O-N 3.24Å; M257-M259 VanDerWaalsContact C-N 3.34Å; M257-M259 PolarHBondContact O-N 2.72Å; M259-K263 PolarHBondContact O-N 2.92Å
260G71.4Confident72.8Confident36 Ų36109.2 Ų109.237%0.37154%0.544SS..Hα-helixtrans-66.2-45.1172.800000112.7S256 M257 E258 K263 T264S256-G260 PolarHBondContact O-N 3.2Å; S256-G260 VanDerWaalsContact O-N 3.1Å; M257-G260 PolarHBondContact O-N 3Å; E258-G260 VanDerWaalsContact C-N 3.31Å; E258-G260 PolarHBondContact O-N 2.94Å; G260-K263 PolarHBondContact O-N 3.33Å; G260-T264 PolarHBondContact O-N 3.05Å; G260-T264 VanDerWaalsContact O-N 3.1Å; G260-T264 PolarHBondContact O-OG1 3.12Å
261L74.5Confident71.8Confident116 Ų116105.5 Ų105.561%0.60754%0.536SS*.Hα-helixtrans-64-41.4178.3-72169.5000112.5M257 E258 K263 T264 S265M257-L261 WeakPolarHBondContact O-CG 3.3Å; M257-L261 PolarHBondContact O-N 2.95Å; E258-L261 PolarHBondContact O-N 3.48Å; L261-K263 VanDerWaalsContact C-N 3.35Å; L261-K263 PolarHBondContact O-N 3.34Å; L261-T264 PolarHBondContact O-N 3.42Å; L261-S265 PolarHBondContact O-N 2.91Å
262L71Confident71Confident111 Ų111111 Ų11158%0.58156%0.561SS**Hα-helixtrans-60-45.6175.1-76.2166000111.4E258 T264 S265 E266E258-L262 WeakPolarHBondContact O-CG 3.5Å; E258-L262 PolarHBondContact O-N 3.27Å; L262-T264 VanDerWaalsContact C-N 3.3Å; L262-T264 PolarHBondContact O-N 3.46Å; L262-S265 PolarHBondContact O-N 3.39Å; L262-E266 WeakPolarHBondContact O-CG 3.41Å; L262-E266 PolarHBondContact O-N 3.24Å
263K72.8Confident70Confident155 Ų155110.3 Ų110.367%0.67457%0.565SS**Hα-helixtrans-64.9-33179.1-169.3175-177.51770113M259 G260 L261 R267M259-K263 PolarHBondContact O-N 2.92Å; G260-K263 PolarHBondContact O-N 3.33Å; L261-K263 VanDerWaalsContact C-N 3.35Å; L261-K263 PolarHBondContact O-N 3.34Å; K263-R267 WeakPolarHBondContact O-CB 3.49Å; K263-R267 PolarHBondContact O-N 3.35Å
264T72.4Confident68.8Low77 Ų77112.5 Ų112.547%0.47258%0.575SS.*Hα-helixtrans-69.5-44.3173.1-54.70000110.9G260 L261 L262 E266 R267 D268G260-T264 PolarHBondContact O-N 3.05Å; G260-T264 VanDerWaalsContact O-N 3.1Å; G260-T264 PolarHBondContact O-OG1 3.12Å; L261-T264 PolarHBondContact O-N 3.42Å; L262-T264 VanDerWaalsContact C-N 3.3Å; L262-T264 PolarHBondContact O-N 3.46Å; T264-E266 PolarHBondContact O-N 3.05Å; T264-R267 PolarHBondContact O-N 3.49Å; T264-D268 VanDerWaalsContact O-CG 3.29Å; T264-D268 PolarHBondContact O-N 3.42Å
265S68.8Low67.6Low61 Ų61120.1 Ų120.143%0.42761%0.61SS.*Hα-helixtrans-62.2-40.9177.7-173.30000113.3L261 L262 R267 D268 Q269L261-S265 PolarHBondContact O-N 2.91Å; L262-S265 PolarHBondContact O-N 3.39Å; S265-R267 VanDerWaalsContact C-N 3.32Å; S265-D268 PolarHBondContact O-N 3.28Å; S265-Q269 PolarHBondContact O-N 3.11Å
266E69.3Low67.2Low120 Ų120120.4 Ų120.456%0.56161%0.614SS**Hα-helixtrans-63.2-40.3175.6-74176.316100111.1L262 T264 Q269 E270L262-E266 WeakPolarHBondContact O-CG 3.41Å; L262-E266 PolarHBondContact O-N 3.24Å; T264-E266 PolarHBondContact O-N 3.05Å; E266-Q269 PolarHBondContact O-N 2.69Å; E266-E270 PolarHBondContact O-N 3.38Å
267R67.7Low66.8Low188 Ų188122.3 Ų122.371%0.70962%0.615SS**Hα-helixtrans-69.1-36.9179-165.6178.2-174-176.40.3112.8K263 T264 S265 S271K263-R267 WeakPolarHBondContact O-CB 3.49Å; K263-R267 PolarHBondContact O-N 3.35Å; T264-R267 PolarHBondContact O-N 3.49Å; S265-R267 VanDerWaalsContact C-N 3.32Å; R267-S271 PolarHBondContact O-N 3.27Å; R267-S271 VanDerWaalsContact O-N 3.16Å
268D69.3Low66.6Low90 Ų90122.3 Ų122.348%0.48162%0.616SS.*Hα-helixtrans-68.1-39176-66.7-18.4000110.4T264 S265 S271 E272T264-D268 VanDerWaalsContact O-CG 3.29Å; T264-D268 PolarHBondContact O-N 3.42Å; S265-D268 PolarHBondContact O-N 3.28Å; D268-S271 PolarHBondContact O-N 3.06Å; D268-S271 PolarHBondContact O-OG 3.23Å; D268-E272 PolarHBondContact O-N 3.04Å
269Q62.4Low66.1Low118 Ų118122.7 Ų122.755%0.55162%0.62SS**Hα-helixtrans-65-45.1173.4-80.2-178.3-3600113.2S265 E266 S271 E272 D273S265-Q269 PolarHBondContact O-N 3.11Å; E266-Q269 PolarHBondContact O-N 2.69Å; Q269-S271 PolarHBondContact O-N 2.83Å; Q269-E272 PolarHBondContact O-N 3.35Å; Q269-E272 VanDerWaalsContact O-N 3.16Å; Q269-D273 PolarHBondContact O-N 3.41Å
270E64Low65.8Low140 Ų140121.6 Ų121.665%0.65462%0.616SS**Hα-helixtrans-59.6-32.4174.9-78-178.2164.100112E266E266-E270 PolarHBondContact O-N 3.38Å
271S62.8Low65.5Low64 Ų64127.3 Ų127.345%0.44863%0.632SS.*Hα-helixtrans-76.7-22.8178.373.90000114.7R267 D268 Q269R267-S271 PolarHBondContact O-N 3.27Å; R267-S271 VanDerWaalsContact O-N 3.16Å; D268-S271 PolarHBondContact O-N 3.06Å; D268-S271 PolarHBondContact O-OG 3.23Å; Q269-S271 PolarHBondContact O-N 2.83Å
272E61.8Low64.8Low145 Ų145128.1 Ų128.168%0.67863%0.634SS**Hα-helixtrans-82-28.7175.3-73.6-173.9154.800112.2D268 Q269 E274D268-E272 PolarHBondContact O-N 3.04Å; Q269-E272 PolarHBondContact O-N 3.35Å; Q269-E272 VanDerWaalsContact O-N 3.16Å; E272-E274 VanDerWaalsContact C-N 3.35Å
273D60.6Low64.3Low144 Ų144129.5 Ų129.577%0.7764%0.638SS**THydrogen-bonded Turntrans-79.9-11.9178.3-76.3-24.2000113.7Q269Q269-D273 PolarHBondContact O-N 3.41Å
274E55.1Low63.6Low176 Ų176127.3 Ų127.382%0.82264%0.635SS**THydrogen-bonded Turntrans-90.96.6178-76.6-168.4164.100114.8E272E272-E274 VanDerWaalsContact C-N 3.35Å
275I49.4Very low62.8Low205 Ų205131.9 Ų131.9100%1.05165%0.65SS**  trans-108.60179.9-55.8176.6000111.2

Retrieved 275 of 275 residues in 130.5 ms (Link to these results)

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