A0A087WV11_HUMAN Loading...

Transmembrane protein 120A

AlphaFold DB , UniProt , Accession A0A087WV11, Species HUMAN (Homo sapiens, Human), Gene TMEM120A, Length 229 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
1S77.7Confident83.4Confident111 Ų11192.8 Ų92.878%0.77648%0.479SS*.  0155.80175.40000110.6Q3 A4S1-Q3 VanDerWaalsContact C-N 3.3Å; S1-Q3 PolarHBondContact OG-N 2.79Å; S1-Q3 PolarHBondContact OG-OE1 3.09Å; S1-A4 PolarHBondContact O-N 3.48Å
2K78.4Confident83.7Confident172 Ų17286 Ų8675%0.74844%0.443SS*.Hα-helixtrans-59.5-39.2169.1-71.5179.4178.9175.20111.6A4 K5 F6K2-A4 VanDerWaalsContact C-N 3.31Å; K2-A4 PolarHBondContact O-N 2.82Å; K2-K5 WeakPolarHBondContact O-CB 3.33Å; K2-K5 PolarHBondContact O-N 2.97Å; K2-K5 VanDerWaalsContact O-N 3.07Å; K2-F6 HydrophobicContact CB-CE2 4.47Å; K2-F6 WeakPolarHBondContact O-CD2 3.38Å; K2-F6 PolarHBondContact O-N 3.4Å
3Q81.4Confident83.7Confident148 Ų14880.3 Ų80.369%0.69241%0.413SS*.Hα-helixtrans-56.3-42.6179-68.9152.8-41.200112.3S1 K5 F6 A7S1-Q3 VanDerWaalsContact C-N 3.3Å; S1-Q3 PolarHBondContact OG-N 2.79Å; S1-Q3 PolarHBondContact OG-OE1 3.09Å; Q3-K5 VanDerWaalsContact C-N 3.3Å; Q3-K5 PolarHBondContact O-N 3.13Å; Q3-F6 PolarHBondContact O-N 3.1Å; Q3-F6 VanDerWaalsContact O-N 3.08Å; Q3-A7 PolarHBondContact O-N 2.93Å
4A84.1Confident83.8Confident60 Ų6080.9 Ų80.950%0.49641%0.411SS..Hα-helixtrans-62.2-34.817800000112.9S1 K2 Y8S1-A4 PolarHBondContact O-N 3.48Å; K2-A4 VanDerWaalsContact C-N 3.31Å; K2-A4 PolarHBondContact O-N 2.82Å; A4-Y8 WeakPolarHBondContact O-CB 3.48Å; A4-Y8 PolarHBondContact O-N 3.12Å
5K84.6Confident84.1Confident100 Ų10077 Ų7744%0.43539%0.39SS..Hα-helixtrans-67.4-35.7173.9-62.2-166173.7-162.10112K2 Q3 K9 N64K2-K5 WeakPolarHBondContact O-CB 3.33Å; K2-K5 PolarHBondContact O-N 2.97Å; K2-K5 VanDerWaalsContact O-N 3.07Å; Q3-K5 VanDerWaalsContact C-N 3.3Å; Q3-K5 PolarHBondContact O-N 3.13Å; K5-K9 PolarHBondContact O-N 3.38Å; K5-N64 HydrophobicContact CD-CB 4.12Å; K5-N64 WeakPolarHBondContact CD-OD1 3.3Å; K5-N64 WeakPolarHBondContact CE-OD1 3.46Å; K5-N64 WeakPolarHBondContact CG-OD1 3.43Å; K5-N64 PolarHBondContact NZ-O 3.34Å; K5-N64 PolarHBondContact NZ-OD1 2.96Å
6F81.9Confident84.2Confident112 Ų11272.3 Ų72.349%0.49137%0.367SS..Hα-helixtrans-72.5-45.1175.2-69.8-62.2000112.2K2 Q3 Y8 K9 D10K2-F6 HydrophobicContact CB-CE2 4.47Å; K2-F6 WeakPolarHBondContact O-CD2 3.38Å; K2-F6 PolarHBondContact O-N 3.4Å; Q3-F6 PolarHBondContact O-N 3.1Å; Q3-F6 VanDerWaalsContact O-N 3.08Å; F6-Y8 PolarHBondContact O-N 2.81Å; F6-K9 WeakPolarHBondContact O-CB 3.16Å; F6-K9 PolarHBondContact O-N 3.41Å; F6-K9 VanDerWaalsContact O-N 3.07Å; F6-D10 PolarHBondContact O-N 3.22Å
7A85.3Confident84.2Confident54 Ų5470.2 Ų70.245%0.44636%0.356SS..Hα-helixtrans-57.6-47174.700000111.7Q3 K9 D10 E11Q3-A7 PolarHBondContact O-N 2.93Å; A7-K9 PolarHBondContact O-N 3Å; A7-D10 PolarHBondContact O-N 3.27Å; A7-E11 WeakPolarHBondContact O-CG 3.47Å; A7-E11 PolarHBondContact O-N 3.04Å
8Y87.4Confident84.3Confident71 Ų7174.8 Ų74.828%0.27837%0.37SS..Hα-helixtrans-57.6-37.6174.7-176.1-90.4000112.6A4 F6 Y12 I60 L61A4-Y8 WeakPolarHBondContact O-CB 3.48Å; A4-Y8 PolarHBondContact O-N 3.12Å; F6-Y8 PolarHBondContact O-N 2.81Å; Y8-Y12 PolarHBondContact O-N 2.89Å; Y8-I60 HydrophobicContact CD1-CG2 4.38Å; Y8-I60 HydrophobicContact CE1-CB 4.22Å; Y8-I60 HydrophobicContact CE1-CG2 3.66Å; Y8-I60 HydrophobicContact CE2-CG2 4.28Å; Y8-I60 WeakPolarHBondContact OH-CD1 3.44Å; Y8-L61 HydrophobicContact CD1-CD2 3.85Å; Y8-L61 HydrophobicContact CD1-CG 4.38Å; Y8-L61 HydrophobicContact CE1-CD2 4.08Å; Y8-L61 HydrophobicContact CE1-CG 4.09Å
9K83.9Confident84.4Confident56 Ų5671.8 Ų71.824%0.24336%0.355CS..Hα-helixtrans-67.6-47.4176.5-173.3170.6-178.5171.20111.8K5 F6 A7 E11 Y12 E13 L61 L124K5-K9 PolarHBondContact O-N 3.38Å; F6-K9 WeakPolarHBondContact O-CB 3.16Å; F6-K9 PolarHBondContact O-N 3.41Å; F6-K9 VanDerWaalsContact O-N 3.07Å; A7-K9 PolarHBondContact O-N 3Å; K9-E11 VanDerWaalsContact C-N 3.28Å; K9-E11 PolarHBondContact O-N 3.3Å; K9-Y12 PolarHBondContact O-N 2.9Å; K9-Y12 VanDerWaalsContact O-N 3.12Å; K9-E13 HydrophobicContact CG-CG 4.48Å; K9-E13 WeakPolarHBondContact O-CG 3.33Å; K9-E13 PolarHBondContact O-N 2.9Å; K9-L61 HydrophobicContact CB-CD2 4.15Å; K9-L61 HydrophobicContact CG-CD2 4.3Å; K9-L124 HydrophobicContact CD-CD1 4.38Å; K9-L124 HydrophobicContact CD-CD2 4.15Å; K9-L124 HydrophobicContact CG-CD2 4.32Å
10D85.1Confident84.4Confident41 Ų4168.4 Ų68.422%0.21934%0.338CS..Hα-helixtrans-60.7-37.9177.8-71.718.4000111.2F6 A7 E13 K14 L124 R128F6-D10 PolarHBondContact O-N 3.22Å; A7-D10 PolarHBondContact O-N 3.27Å; D10-E13 PolarHBondContact O-N 3.3Å; D10-K14 WeakPolarHBondContact O-CG 3.32Å; D10-K14 PolarHBondContact O-N 3.39Å; D10-L124 WeakPolarHBondContact OD1-CD2 3.48Å; D10-R128 IonicContact OD1-CZ 3.92Å; D10-R128 IonicContact OD1-NH1 3.28Å; D10-R128 IonicContact OD1-NH2 2.9Å; D10-R128 PolarHBondContact OD1-NH2 3.47Å; D10-R128 IonicContact OD2-CZ 3.8Å; D10-R128 VanDerWaalsContact OD2-CZ 3.28Å; D10-R128 IonicContact OD2-NH1 3.74Å; D10-R128 PolarHBondContact OD2-NH1 3.1Å; D10-R128 IonicContact OD2-NH2 2.75Å; D10-R128 PolarHBondContact OD2-NH2 2.77Å
11E87.5Confident84.5Confident96 Ų9668.8 Ų68.845%0.44934%0.341SS..Hα-helixtrans-70-31173.7-64.8-47.5129.100114.1A7 K9 K14 F15A7-E11 WeakPolarHBondContact O-CG 3.47Å; A7-E11 PolarHBondContact O-N 3.04Å; K9-E11 VanDerWaalsContact C-N 3.28Å; K9-E11 PolarHBondContact O-N 3.3Å; E11-K14 IonicContact OE1-NZ 2.66Å; E11-K14 PolarHBondContact OE1-NZ 3.4Å; E11-K14 WeakPolarHBondContact OE2-CD 3.43Å; E11-K14 IonicContact OE2-NZ 3.94Å; E11-F15 VanDerWaalsContact O-CB 3.26Å; E11-F15 WeakPolarHBondContact O-CB 3.36Å; E11-F15 PolarHBondContact O-N 2.89Å
12Y87.4Confident85Confident11 Ų1166.9 Ų66.94%0.04332%0.322CS..Hα-helixtrans-70.3-38.9170.3154.8-93.1000112.1Y8 K9 F15 K16 L54 R57 E58 L61Y8-Y12 PolarHBondContact O-N 2.89Å; K9-Y12 PolarHBondContact O-N 2.9Å; K9-Y12 VanDerWaalsContact O-N 3.12Å; Y12-F15 PolarHBondContact O-N 3.37Å; Y12-K16 HydrophobicContact CE1-CD 4.14Å; Y12-K16 HydrophobicContact CE2-CD 4.09Å; Y12-K16 HydrophobicContact CE2-CG 4.31Å; Y12-K16 VanDerWaalsContact CZ-CE 3.45Å; Y12-K16 PolarHBondContact O-N 2.99Å; Y12-K16 PolarHBondContact OH-NZ 3.07Å; Y12-L54 HydrophobicContact CE2-CD2 4.08Å; Y12-R57 HydrophobicContact CD2-CB 3.77Å; Y12-R57 HydrophobicContact CE2-CB 4.33Å; Y12-E58 HydrophobicContact CE2-CG 3.67Å; Y12-E58 VanDerWaalsContact OH-CD 3.31Å; Y12-E58 WeakPolarHBondContact OH-CG 3.24Å; Y12-E58 PolarHBondContact OH-OE1 2.99Å; Y12-L61 HydrophobicContact CD1-CD1 3.42Å; Y12-L61 VanDerWaalsContact CD1-CD1 3.42Å; Y12-L61 HydrophobicContact CD2-CD1 4.07Å; Y12-L61 HydrophobicContact CE1-CD1 3.49Å; Y12-L61 VanDerWaalsContact CE1-CD1 3.49Å; Y12-L61 HydrophobicContact CE2-CD1 4.16Å; Y12-L61 HydrophobicContact CG-CD1 3.71Å
13E83.5Confident85.3Confident12 Ų1258.8 Ų58.86%0.05629%0.286CS..Hα-helixtrans-64.3-46.9174.6-66.3-58.6151.200110.7K9 D10 F15 K16 L17 Y117K9-E13 HydrophobicContact CG-CG 4.48Å; K9-E13 WeakPolarHBondContact O-CG 3.33Å; K9-E13 PolarHBondContact O-N 2.9Å; D10-E13 PolarHBondContact O-N 3.3Å; E13-F15 VanDerWaalsContact C-N 3.34Å; E13-F15 PolarHBondContact O-N 3.4Å; E13-K16 VanDerWaalsContact CD-CE 3.49Å; E13-K16 WeakPolarHBondContact O-CB 3.38Å; E13-K16 PolarHBondContact O-N 3.29Å; E13-K16 IonicContact OE1-NZ 3.38Å; E13-K16 PolarHBondContact OE1-NZ 2.99Å; E13-K16 WeakPolarHBondContact OE2-CE 3.26Å; E13-K16 IonicContact OE2-NZ 2.95Å; E13-K16 PolarHBondContact OE2-NZ 3.15Å; E13-L17 PolarHBondContact O-N 3.49Å; E13-L17 VanDerWaalsContact O-N 3.15Å; E13-Y117 HydrophobicContact CB-CD2 4.29Å; E13-Y117 HydrophobicContact CB-CE2 3.91Å; E13-Y117 WeakPolarHBondContact O-CD2 3.01Å; E13-Y117 WeakPolarHBondContact O-CE2 3.32Å
14K85Confident85.3Confident89 Ų8954.9 Ų54.939%0.38727%0.269SS..Hα-helixtrans-56.1-46172.1-72.4170.3-175.7175.80112.3D10 E11 K16 L17 Y18D10-K14 WeakPolarHBondContact O-CG 3.32Å; D10-K14 PolarHBondContact O-N 3.39Å; E11-K14 IonicContact OE1-NZ 2.66Å; E11-K14 PolarHBondContact OE1-NZ 3.4Å; E11-K14 WeakPolarHBondContact OE2-CD 3.43Å; E11-K14 IonicContact OE2-NZ 3.94Å; K14-K16 VanDerWaalsContact C-N 3.34Å; K14-K16 PolarHBondContact O-N 3.13Å; K14-L17 PolarHBondContact O-N 3.16Å; K14-L17 VanDerWaalsContact O-N 3.12Å; K14-Y18 HydrophobicContact CB-CD2 4.38Å; K14-Y18 HydrophobicContact CB-CE2 4.21Å; K14-Y18 WeakPolarHBondContact O-CD2 3.34Å; K14-Y18 PolarHBondContact O-N 3.37Å
15F88.6Confident85.3Confident22 Ų2257.2 Ų57.210%0.09627%0.273CS..Hα-helixtrans-57.1-44.9178.1172.4-95.8000112.2E11 Y12 E13 L17 L19 W49 Y50 T53 L54E11-F15 VanDerWaalsContact O-CB 3.26Å; E11-F15 WeakPolarHBondContact O-CB 3.36Å; E11-F15 PolarHBondContact O-N 2.89Å; Y12-F15 PolarHBondContact O-N 3.37Å; E13-F15 VanDerWaalsContact C-N 3.34Å; E13-F15 PolarHBondContact O-N 3.4Å; F15-L17 PolarHBondContact O-N 2.9Å; F15-L19 HydrophobicContact CD2-CD2 3.89Å; F15-L19 HydrophobicContact CE2-CD2 3.66Å; F15-L19 HydrophobicContact CE2-CG 4.15Å; F15-L19 HydrophobicContact CZ-CD2 4.18Å; F15-L19 HydrophobicContact CZ-CG 4.18Å; F15-L19 PolarHBondContact O-N 2.7Å; F15-L19 VanDerWaalsContact O-N 3.14Å; F15-W49 AromaticContact CE2-CH2 3.84Å; F15-W49 HydrophobicContact CE2-CH2 3.84Å; F15-W49 HydrophobicContact CE2-CZ3 4.25Å; F15-W49 AromaticContact CZ-CH2 3.98Å; F15-W49 HydrophobicContact CZ-CH2 3.98Å; F15-W49 HydrophobicContact CZ-CZ3 4.04Å; F15-Y50 HydrophobicContact CE1-CD2 4.08Å; F15-Y50 HydrophobicContact CE1-CE2 4.05Å; F15-Y50 HydrophobicContact CZ-CD2 4.27Å; F15-T53 HydrophobicContact CE1-CG2 3.8Å; F15-T53 HydrophobicContact CE2-CG2 4.11Å; F15-T53 HydrophobicContact CZ-CG2 3.39Å; F15-L54 HydrophobicContact CD1-CD2 4.41Å; F15-L54 HydrophobicContact CE1-CD2 4.19Å
16K84.4Confident85.1Confident2 Ų255 Ų551%0.00927%0.265CS..Hα-helixtrans-56.7-47.7173.1-79.8-175.6-64-173.20111.6Y12 E13 K14 T20 L54Y12-K16 HydrophobicContact CE1-CD 4.14Å; Y12-K16 HydrophobicContact CE2-CD 4.09Å; Y12-K16 HydrophobicContact CE2-CG 4.31Å; Y12-K16 VanDerWaalsContact CZ-CE 3.45Å; Y12-K16 PolarHBondContact O-N 2.99Å; Y12-K16 PolarHBondContact OH-NZ 3.07Å; E13-K16 VanDerWaalsContact CD-CE 3.49Å; E13-K16 WeakPolarHBondContact O-CB 3.38Å; E13-K16 PolarHBondContact O-N 3.29Å; E13-K16 IonicContact OE1-NZ 3.38Å; E13-K16 PolarHBondContact OE1-NZ 2.99Å; E13-K16 WeakPolarHBondContact OE2-CE 3.26Å; E13-K16 IonicContact OE2-NZ 2.95Å; E13-K16 PolarHBondContact OE2-NZ 3.15Å; K14-K16 VanDerWaalsContact C-N 3.34Å; K14-K16 PolarHBondContact O-N 3.13Å; K16-T20 VanDerWaalsContact O-CB 3.25Å; K16-T20 WeakPolarHBondContact O-CB 3.28Å; K16-T20 PolarHBondContact O-N 3.25Å; K16-T20 PolarHBondContact O-OG1 3.07Å; K16-L54 HydrophobicContact CD-CD2 4.28Å; K16-L54 HydrophobicContact CG-CD2 3.69Å
17L84.9Confident84.8Confident36 Ų3649.6 Ų49.619%0.18824%0.242CC..Hα-helixtrans-61.3-52.1-179.1178.464000112.2E13 K14 F15 L19 T20 I21 F114 Y117E13-L17 PolarHBondContact O-N 3.49Å; E13-L17 VanDerWaalsContact O-N 3.15Å; K14-L17 PolarHBondContact O-N 3.16Å; K14-L17 VanDerWaalsContact O-N 3.12Å; F15-L17 PolarHBondContact O-N 2.9Å; L17-L19 PolarHBondContact O-N 2.92Å; L17-T20 PolarHBondContact O-N 2.94Å; L17-I21 HydrophobicContact CD1-CD1 3.88Å; L17-I21 HydrophobicContact CD1-CG1 4.26Å; L17-I21 HydrophobicContact CG-CD1 3.91Å; L17-I21 WeakPolarHBondContact O-CG1 3.37Å; L17-I21 PolarHBondContact O-N 3.42Å; L17-F114 HydrophobicContact CD1-CD2 3.68Å; L17-F114 HydrophobicContact CD1-CE2 3.79Å; L17-Y117 HydrophobicContact CB-CD1 4.33Å; L17-Y117 HydrophobicContact CB-CD2 4.24Å; L17-Y117 HydrophobicContact CB-CE1 4.09Å; L17-Y117 HydrophobicContact CB-CE2 3.96Å; L17-Y117 HydrophobicContact CB-CG 4.41Å; L17-Y117 HydrophobicContact CD1-CD1 3.98Å; L17-Y117 HydrophobicContact CD1-CE1 3.93Å; L17-Y117 HydrophobicContact CD2-CE1 3.75Å; L17-Y117 HydrophobicContact CG-CE1 4.13Å
18Y85.9Confident84.5Confident153 Ų15352.3 Ų52.360%0.624%0.244SC*.Hα-helixtrans-57.9-46.5-178.7-75.5-63.5000112K14 I21 I22K14-Y18 HydrophobicContact CB-CD2 4.38Å; K14-Y18 HydrophobicContact CB-CE2 4.21Å; K14-Y18 WeakPolarHBondContact O-CD2 3.34Å; K14-Y18 PolarHBondContact O-N 3.37Å; Y18-I21 PolarHBondContact O-N 3.45Å; Y18-I22 VanDerWaalsContact O-CG1 3.31Å; Y18-I22 WeakPolarHBondContact O-CG1 3.41Å; Y18-I22 PolarHBondContact O-N 3.48Å
19L86.1Confident84Confident19 Ų1951.1 Ų51.110%0.09924%0.244CC..Hα-helixtrans-72.1-32.7-179.6-85.4-63.8000112.5F15 L17 I21 I22 L23 L46 W49 Y50F15-L19 HydrophobicContact CD2-CD2 3.89Å; F15-L19 HydrophobicContact CE2-CD2 3.66Å; F15-L19 HydrophobicContact CE2-CG 4.15Å; F15-L19 HydrophobicContact CZ-CD2 4.18Å; F15-L19 HydrophobicContact CZ-CG 4.18Å; F15-L19 PolarHBondContact O-N 2.7Å; F15-L19 VanDerWaalsContact O-N 3.14Å; L17-L19 PolarHBondContact O-N 2.92Å; L19-I21 VanDerWaalsContact C-N 3.34Å; L19-I21 PolarHBondContact O-N 2.73Å; L19-I22 HydrophobicContact CD1-CD1 4.28Å; L19-I22 PolarHBondContact O-N 3.45Å; L19-L23 WeakPolarHBondContact O-CB 3.48Å; L19-L23 VanDerWaalsContact O-CG 3.23Å; L19-L23 WeakPolarHBondContact O-CG 3.37Å; L19-L23 PolarHBondContact O-N 2.84Å; L19-L46 HydrophobicContact CD1-CD1 4.18Å; L19-W49 HydrophobicContact CD1-CH2 4.5Å; L19-W49 HydrophobicContact CD1-CZ3 3.7Å; L19-W49 HydrophobicContact CG-CZ3 3.99Å; L19-Y50 HydrophobicContact CB-CD2 3.64Å; L19-Y50 HydrophobicContact CB-CE2 3.53Å; L19-Y50 HydrophobicContact CG-CD2 3.96Å; L19-Y50 HydrophobicContact CG-CE2 4.26Å
20T85.3Confident83.6Confident2 Ų248.5 Ų48.51%0.01223%0.232CC..Hα-helixtrans-61.2-42.9172.3-59.10000111.4K16 L17 L23 I24 S110 Q113 F114K16-T20 VanDerWaalsContact O-CB 3.25Å; K16-T20 WeakPolarHBondContact O-CB 3.28Å; K16-T20 PolarHBondContact O-N 3.25Å; K16-T20 PolarHBondContact O-OG1 3.07Å; L17-T20 PolarHBondContact O-N 2.94Å; T20-L23 PolarHBondContact O-N 3.24Å; T20-I24 HydrophobicContact CG2-CD1 4.17Å; T20-I24 VanDerWaalsContact O-CG1 3.32Å; T20-I24 WeakPolarHBondContact O-CG1 3.47Å; T20-I24 PolarHBondContact O-N 3.17Å; T20-S110 WeakPolarHBondContact CG2-O 3.43Å; T20-Q113 HydrophobicContact CG2-CB 4.09Å; T20-Q113 HydrophobicContact CG2-CG 4.38Å; T20-Q113 WeakPolarHBondContact OG1-CG 3.25Å; T20-F114 HydrophobicContact CG2-CB 4.18Å
21I86.3Confident82.9Confident77 Ų7750.5 Ų50.540%0.39524%0.237SC..Hα-helixtrans-63.9-46176.3-66.8165.5000110.8L17 Y18 L19 L23 I24 L25L17-I21 HydrophobicContact CD1-CD1 3.88Å; L17-I21 HydrophobicContact CD1-CG1 4.26Å; L17-I21 HydrophobicContact CG-CD1 3.91Å; L17-I21 WeakPolarHBondContact O-CG1 3.37Å; L17-I21 PolarHBondContact O-N 3.42Å; Y18-I21 PolarHBondContact O-N 3.45Å; L19-I21 VanDerWaalsContact C-N 3.34Å; L19-I21 PolarHBondContact O-N 2.73Å; I21-L23 VanDerWaalsContact C-N 3.35Å; I21-L23 PolarHBondContact O-N 2.92Å; I21-I24 PolarHBondContact O-N 3.24Å; I21-L25 HydrophobicContact CG2-CD1 4.02Å; I21-L25 WeakPolarHBondContact O-CG 3.38Å; I21-L25 PolarHBondContact O-N 3Å
22I87.4Confident82Confident72 Ų7252.1 Ų52.137%0.36924%0.243SC..Hα-helixtrans-60.4-43.8177.5-68.2164000111Y18 L19 I24 L25 I26 L46Y18-I22 VanDerWaalsContact O-CG1 3.31Å; Y18-I22 WeakPolarHBondContact O-CG1 3.41Å; Y18-I22 PolarHBondContact O-N 3.48Å; L19-I22 HydrophobicContact CD1-CD1 4.28Å; L19-I22 PolarHBondContact O-N 3.45Å; I22-I24 PolarHBondContact O-N 3.36Å; I22-L25 PolarHBondContact O-N 2.93Å; I22-I26 HydrophobicContact CG2-CD1 3.62Å; I22-I26 HydrophobicContact CG2-CG1 4.35Å; I22-I26 WeakPolarHBondContact O-CB 3.4Å; I22-I26 WeakPolarHBondContact O-CG1 3.49Å; I22-I26 PolarHBondContact O-N 3.01Å; I22-L46 HydrophobicContact CG2-CD2 3.94Å
23L84.1Confident80.7Confident1 Ų157.5 Ų57.51%0.00527%0.271CS..Hα-helixtrans-63.6-37.7177.8-73.5169.4000112.4L19 T20 I21 S27 F43 L46 L47 Y50L19-L23 WeakPolarHBondContact O-CB 3.48Å; L19-L23 VanDerWaalsContact O-CG 3.23Å; L19-L23 WeakPolarHBondContact O-CG 3.37Å; L19-L23 PolarHBondContact O-N 2.84Å; T20-L23 PolarHBondContact O-N 3.24Å; I21-L23 VanDerWaalsContact C-N 3.35Å; I21-L23 PolarHBondContact O-N 2.92Å; L23-S27 WeakPolarHBondContact O-CB 3.49Å; L23-S27 PolarHBondContact O-N 3.4Å; L23-S27 PolarHBondContact O-OG 2.87Å; L23-F43 HydrophobicContact CD2-CD2 4.19Å; L23-F43 HydrophobicContact CD2-CE2 3.63Å; L23-F43 HydrophobicContact CD2-CZ 4.46Å; L23-L46 HydrophobicContact CD2-CD2 3.89Å; L23-L46 HydrophobicContact CD2-CG 4.06Å; L23-L47 HydrophobicContact CD1-CD2 4.03Å; L23-L47 HydrophobicContact CD2-CD2 3.65Å; L23-L47 HydrophobicContact CD2-CG 4.14Å; L23-L47 HydrophobicContact CG-CD2 4.47Å; L23-Y50 HydrophobicContact CD1-CD1 3.74Å; L23-Y50 HydrophobicContact CD1-CE1 3.92Å; L23-Y50 HydrophobicContact CD1-CG 4.23Å
24I81.8Confident79.6Confident66 Ų6661.1 Ų61.134%0.33829%0.291SS..Hα-helixtrans-64-49.8174.2-69.6165.8000110.7T20 I21 I22 I26 S27 F28 S110T20-I24 HydrophobicContact CG2-CD1 4.17Å; T20-I24 VanDerWaalsContact O-CG1 3.32Å; T20-I24 WeakPolarHBondContact O-CG1 3.47Å; T20-I24 PolarHBondContact O-N 3.17Å; I21-I24 PolarHBondContact O-N 3.24Å; I22-I24 PolarHBondContact O-N 3.36Å; I24-I26 PolarHBondContact O-N 3.49Å; I24-S27 PolarHBondContact O-N 3.42Å; I24-F28 WeakPolarHBondContact O-CB 3.33Å; I24-F28 PolarHBondContact O-N 3.43Å; I24-S110 VanDerWaalsContact CG1-CB 3.47Å
25L83.9Confident78.7Confident109 Ų10962.6 Ų62.657%0.57130%0.303SS*.Hα-helixtrans-62.3-42.8-178.9-68.6171.6000112.2I21 I22 T29I21-L25 HydrophobicContact CG2-CD1 4.02Å; I21-L25 WeakPolarHBondContact O-CG 3.38Å; I21-L25 PolarHBondContact O-N 3Å; I22-L25 PolarHBondContact O-N 2.93Å; L25-T29 WeakPolarHBondContact O-CB 3.44Å; L25-T29 PolarHBondContact O-N 3.17Å; L25-T29 PolarHBondContact O-OG1 3.07Å
26I80.4Confident78.1Confident53 Ų5363.7 Ų63.727%0.27231%0.313SS..Hα-helixtrans-69.2-44.7176.8-65.4173000110.4I22 I24 F28 T29 C30 F43 L46I22-I26 HydrophobicContact CG2-CD1 3.62Å; I22-I26 HydrophobicContact CG2-CG1 4.35Å; I22-I26 WeakPolarHBondContact O-CB 3.4Å; I22-I26 WeakPolarHBondContact O-CG1 3.49Å; I22-I26 PolarHBondContact O-N 3.01Å; I24-I26 PolarHBondContact O-N 3.49Å; I26-F28 VanDerWaalsContact C-N 3.31Å; I26-F28 PolarHBondContact O-N 2.98Å; I26-T29 CarbonylContact O-C 3.59Å; I26-T29 WeakPolarHBondContact O-CB 3.18Å; I26-T29 PolarHBondContact O-N 3.14Å; I26-T29 VanDerWaalsContact O-N 3.1Å; I26-C30 WeakPolarHBondContact O-CB 3.39Å; I26-C30 PolarHBondContact O-N 3.42Å; I26-C30 PolarHBondContact O-SG 3.09Å; I26-F43 HydrophobicContact CB-CD2 4.25Å; I26-F43 HydrophobicContact CG2-CB 4.07Å; I26-F43 HydrophobicContact CG2-CD2 3.64Å; I26-F43 HydrophobicContact CG2-CG 4.24Å; I26-L46 HydrophobicContact CD1-CD2 3.63Å
27S76.6Confident77.7Confident0 Ų066.1 Ų66.10%032%0.322CS..Hα-helixtrans-58-43.1177.4-60.10000112.3L23 I24 C30 R31 F43L23-S27 WeakPolarHBondContact O-CB 3.49Å; L23-S27 PolarHBondContact O-N 3.4Å; L23-S27 PolarHBondContact O-OG 2.87Å; I24-S27 PolarHBondContact O-N 3.42Å; S27-C30 PolarHBondContact O-N 3.05Å; S27-R31 WeakPolarHBondContact O-CB 3.27Å; S27-R31 PolarHBondContact O-N 2.93Å; S27-F43 WeakPolarHBondContact OG-CE2 3.4Å; S27-F43 WeakPolarHBondContact OG-CZ 3.36Å
28F79.1Confident77.4Confident111 Ų11169.9 Ų69.949%0.48735%0.346SS..Hα-helixtrans-61.7-45.6175.4-174.7-93.2000111I24 I26 R31 F32I24-F28 WeakPolarHBondContact O-CB 3.33Å; I24-F28 PolarHBondContact O-N 3.43Å; I26-F28 VanDerWaalsContact C-N 3.31Å; I26-F28 PolarHBondContact O-N 2.98Å; F28-R31 PolarHBondContact O-N 3.31Å; F28-F32 HydrophobicContact CD1-CD2 4.36Å; F28-F32 AromaticContact CD2-CD2 3.53Å; F28-F32 HydrophobicContact CD2-CD2 3.53Å; F28-F32 AromaticContact CD2-CE2 3.66Å; F28-F32 HydrophobicContact CD2-CE2 3.66Å; F28-F32 HydrophobicContact CE1-CD2 4.33Å; F28-F32 AromaticContact CE2-CD2 3.48Å; F28-F32 HydrophobicContact CE2-CD2 3.48Å; F28-F32 VanDerWaalsContact CE2-CD2 3.48Å; F28-F32 AromaticContact CE2-CE2 3.58Å; F28-F32 HydrophobicContact CE2-CE2 3.58Å; F28-F32 HydrophobicContact CE2-CG 4.35Å; F28-F32 AromaticContact CG-CD2 3.98Å; F28-F32 HydrophobicContact CG-CD2 3.98Å; F28-F32 AromaticContact CZ-CD2 3.9Å; F28-F32 HydrophobicContact CZ-CD2 3.9Å; F28-F32 HydrophobicContact CZ-CE2 4.38Å; F28-F32 HydrophobicContact CZ-CG 4.39Å; F28-F32 WeakPolarHBondContact O-CD2 3.48Å; F28-F32 PolarHBondContact O-N 3.48Å
29T77.2Confident77.2Confident46 Ų4663.9 Ų63.928%0.28233%0.326SS..Hα-helixtrans-61.7-46.7176.6-56.30000112.2L25 I26 R31 L33 L34L25-T29 WeakPolarHBondContact O-CB 3.44Å; L25-T29 PolarHBondContact O-N 3.17Å; L25-T29 PolarHBondContact O-OG1 3.07Å; I26-T29 CarbonylContact O-C 3.59Å; I26-T29 WeakPolarHBondContact O-CB 3.18Å; I26-T29 PolarHBondContact O-N 3.14Å; I26-T29 VanDerWaalsContact O-N 3.1Å; T29-R31 PolarHBondContact O-N 2.95Å; T29-L33 HydrophobicContact CG2-CB 4.14Å; T29-L33 HydrophobicContact CG2-CD1 4.24Å; T29-L33 CarbonylContact O-C 3.58Å; T29-L33 WeakPolarHBondContact O-CA 3.49Å; T29-L33 WeakPolarHBondContact O-CB 3.44Å; T29-L33 PolarHBondContact O-N 3.38Å; T29-L34 HydrophobicContact CG2-CD1 3.92Å; T29-L34 HydrophobicContact CG2-CG 4.15Å; T29-L34 PolarHBondContact O-N 2.93Å
30C74.1Confident77Confident0 Ų063.1 Ų63.10%032%0.322CS..Hα-helixtrans-62.2-26175.7-66.10000113.5I26 S27 T39 R99 L103I26-C30 WeakPolarHBondContact O-CB 3.39Å; I26-C30 PolarHBondContact O-N 3.42Å; I26-C30 PolarHBondContact O-SG 3.09Å; S27-C30 PolarHBondContact O-N 3.05Å; C30-T39 VanDerWaalsContact SG-CG2 3.51Å; C30-R99 PolarHBondContact O-NH2 3.35Å; C30-L103 HydrophobicContact CB-CD1 4.4Å; C30-L103 HydrophobicContact CB-CD2 4.14Å
31R70.2Confident77Confident83 Ų8364.2 Ų64.231%0.31333%0.331SS..Hα-helixtrans-90.2-39.9-178.9-176.3155.3-16565.26.3113.6S27 F28 T29 N100S27-R31 WeakPolarHBondContact O-CB 3.27Å; S27-R31 PolarHBondContact O-N 2.93Å; F28-R31 PolarHBondContact O-N 3.31Å; T29-R31 PolarHBondContact O-N 2.95Å; R31-N100 PolarHBondContact NH1-OD1 3.34Å
32F69Low77Confident130 Ų13063.3 Ų63.357%0.5734%0.335SS*.Hα-helixtrans-110.9-21-170.7-66.9-76.1000115F28F28-F32 HydrophobicContact CD1-CD2 4.36Å; F28-F32 AromaticContact CD2-CD2 3.53Å; F28-F32 HydrophobicContact CD2-CD2 3.53Å; F28-F32 AromaticContact CD2-CE2 3.66Å; F28-F32 HydrophobicContact CD2-CE2 3.66Å; F28-F32 HydrophobicContact CE1-CD2 4.33Å; F28-F32 AromaticContact CE2-CD2 3.48Å; F28-F32 HydrophobicContact CE2-CD2 3.48Å; F28-F32 VanDerWaalsContact CE2-CD2 3.48Å; F28-F32 AromaticContact CE2-CE2 3.58Å; F28-F32 HydrophobicContact CE2-CE2 3.58Å; F28-F32 HydrophobicContact CE2-CG 4.35Å; F28-F32 AromaticContact CG-CD2 3.98Å; F28-F32 HydrophobicContact CG-CD2 3.98Å; F28-F32 AromaticContact CZ-CD2 3.9Å; F28-F32 HydrophobicContact CZ-CD2 3.9Å; F28-F32 HydrophobicContact CZ-CE2 4.38Å; F28-F32 HydrophobicContact CZ-CG 4.39Å; F28-F32 WeakPolarHBondContact O-CD2 3.48Å; F28-F32 PolarHBondContact O-N 3.48Å
33L60.8Low77Confident124 Ų12459.9 Ų59.965%0.64932%0.318SS*.THydrogen-bonded Turntrans-120.9-38.4-171.4-59.1176.1000113.6T29T29-L33 HydrophobicContact CG2-CB 4.14Å; T29-L33 HydrophobicContact CG2-CD1 4.24Å; T29-L33 CarbonylContact O-C 3.58Å; T29-L33 WeakPolarHBondContact O-CA 3.49Å; T29-L33 WeakPolarHBondContact O-CB 3.44Å; T29-L33 PolarHBondContact O-N 3.38Å
34L61.3Low77.2Confident88 Ų8860 Ų6046%0.46132%0.318SS..  trans-13089.1-172.8-64.9179.4000111.8T29 S36 T39T29-L34 HydrophobicContact CG2-CD1 3.92Å; T29-L34 HydrophobicContact CG2-CG 4.15Å; T29-L34 PolarHBondContact O-N 2.93Å; L34-S36 PolarHBondContact O-N 3.45Å; L34-T39 HydrophobicContact CB-CG2 4.12Å; L34-T39 HydrophobicContact CD1-CG2 4.04Å
35N66.1Low77.6Confident121 Ų12163 Ų6365%0.64733%0.329SS*.  trans-8266.1170.9-169.523.5000110.7R99N35-R99 PolarHBondContact OD1-NH1 3.08Å
36S74.2Confident78Confident44 Ų4459.4 Ų59.431%0.30831%0.31SS..  trans-128136179.2103.10000112.5L34 V38 T39 D40L34-S36 PolarHBondContact O-N 3.45Å; S36-V38 PolarHBondContact O-N 3.46Å; S36-V38 VanDerWaalsContact O-N 3.11Å; S36-T39 PolarHBondContact O-N 3.49Å; S36-T39 PolarHBondContact OG-N 3.02Å; S36-T39 VanDerWaalsContact OG-N 3.13Å; S36-T39 PolarHBondContact OG-OG1 2.76Å; S36-D40 PolarHBondContact O-N 2.94Å
37R77.4Confident78.4Confident54 Ų5457.1 Ų57.120%0.20430%0.299CS..Hα-helixtrans-59.1-24.5178.8-176.162.7-170.677.6-2113.2A41 L87 W89 D91R37-A41 WeakPolarHBondContact O-CB 3.46Å; R37-A41 PolarHBondContact O-N 2.75Å; R37-L87 PolarHBondContact NH2-O 3.22Å; R37-W89 PolarHBondContact NE-O 2.83Å; R37-W89 PolarHBondContact NH2-O 2.87Å; R37-D91 HydrophobicContact CG-CB 4.18Å
38V79Confident79.1Confident114 Ų11458.7 Ų58.769%0.69131%0.308SS*.Hα-helixtrans-74.3-41.9174.6-178.60000111.1S36 D40 A41 A42S36-V38 PolarHBondContact O-N 3.46Å; S36-V38 VanDerWaalsContact O-N 3.11Å; V38-D40 VanDerWaalsContact C-N 3.32Å; V38-A41 WeakPolarHBondContact O-CB 3.38Å; V38-A41 PolarHBondContact O-N 2.81Å; V38-A42 PolarHBondContact O-N 3.29Å
39T80.6Confident79.8Confident28 Ų2858.7 Ų58.717%0.17231%0.305CS..Hα-helixtrans-65.5-39.9174.8-37.10000110.4C30 L34 S36 A42 F43C30-T39 VanDerWaalsContact SG-CG2 3.51Å; L34-T39 HydrophobicContact CB-CG2 4.12Å; L34-T39 HydrophobicContact CD1-CG2 4.04Å; S36-T39 PolarHBondContact O-N 3.49Å; S36-T39 PolarHBondContact OG-N 3.02Å; S36-T39 VanDerWaalsContact OG-N 3.13Å; S36-T39 PolarHBondContact OG-OG1 2.76Å; T39-A42 PolarHBondContact O-N 3.07Å; T39-F43 WeakPolarHBondContact O-CB 3.22Å; T39-F43 PolarHBondContact O-N 3.35Å
40D82.9Confident80.5Confident2 Ų256.5 Ų56.51%0.01129%0.292CS..Hα-helixtrans-64.5-37.6173.2-58.4-38.7000112.5S36 V38 F43 N44 Y95 R99S36-D40 PolarHBondContact O-N 2.94Å; V38-D40 VanDerWaalsContact C-N 3.32Å; D40-F43 PolarHBondContact O-N 3.06Å; D40-N44 WeakPolarHBondContact O-CB 3.25Å; D40-N44 PolarHBondContact O-N 3.24Å; D40-N44 PolarHBondContact O-ND2 3.21Å; D40-Y95 VanDerWaalsContact CB-OH 3.25Å; D40-Y95 WeakPolarHBondContact CB-OH 3.19Å; D40-R99 VanDerWaalsContact CG-NE 3.33Å; D40-R99 IonicContact OD1-CZ 3.45Å; D40-R99 IonicContact OD1-NE 2.74Å; D40-R99 PolarHBondContact OD1-NE 2.8Å; D40-R99 IonicContact OD1-NH2 2.77Å; D40-R99 PolarHBondContact OD1-NH2 3.21Å; D40-R99 IonicContact OD2-CZ 2.7Å; D40-R99 IonicContact OD2-NE 3.41Å; D40-R99 PolarHBondContact OD2-NE 3.35Å; D40-R99 IonicContact OD2-NH2 2.9Å; D40-R99 PolarHBondContact OD2-NH2 2.91Å
41A84.6Confident81.3Confident25 Ų2557.3 Ų57.321%0.20730%0.295CS..Hα-helixtrans-63.4-48174.100000111.2R37 V38 F43 N44 F45 L87R37-A41 WeakPolarHBondContact O-CB 3.46Å; R37-A41 PolarHBondContact O-N 2.75Å; V38-A41 WeakPolarHBondContact O-CB 3.38Å; V38-A41 PolarHBondContact O-N 2.81Å; A41-F43 VanDerWaalsContact C-N 3.29Å; A41-F43 PolarHBondContact O-N 2.9Å; A41-N44 PolarHBondContact O-N 3.06Å; A41-F45 VanDerWaalsContact O-CB 3.3Å; A41-F45 WeakPolarHBondContact O-CB 3.3Å; A41-F45 PolarHBondContact O-N 3.36Å; A41-L87 HydrophobicContact CB-CD1 3.88Å; A41-L87 VanDerWaalsContact O-CD1 3.3Å; A41-L87 WeakPolarHBondContact O-CD1 3.31Å
42A86.8Confident82.3Confident59 Ų5955.9 Ų55.949%0.48830%0.297SS..Hα-helixtrans-59.5-40.1177.200000111.9V38 T39 L46V38-A42 PolarHBondContact O-N 3.29Å; T39-A42 PolarHBondContact O-N 3.07Å; A42-L46 WeakPolarHBondContact O-CB 3.45Å; A42-L46 PolarHBondContact O-N 3.4Å
43F87.6Confident83.4Confident0 Ų051 Ų510%028%0.277CS..Hα-helixtrans-65.5-47.4175.3178.7-112.3000113L23 I26 S27 T39 D40 A41 F45 L46 L47 F102 L103L23-F43 HydrophobicContact CD2-CD2 4.19Å; L23-F43 HydrophobicContact CD2-CE2 3.63Å; L23-F43 HydrophobicContact CD2-CZ 4.46Å; I26-F43 HydrophobicContact CB-CD2 4.25Å; I26-F43 HydrophobicContact CG2-CB 4.07Å; I26-F43 HydrophobicContact CG2-CD2 3.64Å; I26-F43 HydrophobicContact CG2-CG 4.24Å; S27-F43 WeakPolarHBondContact OG-CE2 3.4Å; S27-F43 WeakPolarHBondContact OG-CZ 3.36Å; T39-F43 WeakPolarHBondContact O-CB 3.22Å; T39-F43 PolarHBondContact O-N 3.35Å; D40-F43 PolarHBondContact O-N 3.06Å; A41-F43 VanDerWaalsContact C-N 3.29Å; A41-F43 PolarHBondContact O-N 2.9Å; F43-F45 PolarHBondContact O-N 2.89Å; F43-L46 PolarHBondContact O-N 3.22Å; F43-L47 HydrophobicContact CD1-CD1 4.1Å; F43-L47 HydrophobicContact CE1-CD1 3.55Å; F43-L47 HydrophobicContact CE1-CG 4.27Å; F43-L47 HydrophobicContact CE2-CD1 4.49Å; F43-L47 HydrophobicContact CE2-CG 4.38Å; F43-L47 HydrophobicContact CZ-CD1 3.78Å; F43-L47 HydrophobicContact CZ-CD2 4.3Å; F43-L47 HydrophobicContact CZ-CG 4.1Å; F43-L47 PolarHBondContact O-N 3.29Å; F43-F102 HydrophobicContact CD1-CE1 4.48Å; F43-F102 HydrophobicContact CE1-CE1 4.11Å; F43-L103 HydrophobicContact CD1-CD2 3.99Å; F43-L103 HydrophobicContact CE1-CD2 3.95Å
44N88.4Confident84.7Confident3 Ų345 Ų452%0.01625%0.246CC..Hα-helixtrans-67-36.7178.3-78-79.5000112.2D40 A41 L47 V48 M86 L87 F102D40-N44 WeakPolarHBondContact O-CB 3.25Å; D40-N44 PolarHBondContact O-N 3.24Å; D40-N44 PolarHBondContact O-ND2 3.21Å; A41-N44 PolarHBondContact O-N 3.06Å; N44-L47 PolarHBondContact O-N 2.85Å; N44-V48 WeakPolarHBondContact O-CG2 3.37Å; N44-V48 PolarHBondContact O-N 3.36Å; N44-M86 WeakPolarHBondContact OD1-CB 3.42Å; N44-L87 HydrophobicContact CB-CB 3.97Å; N44-L87 HydrophobicContact CB-CD1 4.32Å; N44-F102 VanDerWaalsContact OD1-CE1 3.22Å; N44-F102 WeakPolarHBondContact OD1-CE1 3.45Å; N44-F102 VanDerWaalsContact OD1-CZ 3.28Å; N44-F102 WeakPolarHBondContact OD1-CZ 3.38Å
45F90.3Very high86.2Confident130 Ų13041.2 Ų41.257%0.5723%0.227SC*.Hα-helixtrans-61-43.3171.5177.9-96.8000111.9A41 F43 L47 V48 W49 L87A41-F45 VanDerWaalsContact O-CB 3.3Å; A41-F45 WeakPolarHBondContact O-CB 3.3Å; A41-F45 PolarHBondContact O-N 3.36Å; F43-F45 PolarHBondContact O-N 2.89Å; F45-L47 VanDerWaalsContact C-N 3.35Å; F45-L47 PolarHBondContact O-N 2.85Å; F45-V48 PolarHBondContact O-N 2.83Å; F45-W49 WeakPolarHBondContact O-CB 3.48Å; F45-W49 PolarHBondContact O-N 2.97Å; F45-L87 HydrophobicContact CB-CD1 4.35Å; F45-L87 HydrophobicContact CB-CD2 4.19Å; F45-L87 HydrophobicContact CD2-CD2 4.29Å
46L90.4Very high87.4Confident33 Ų3340.6 Ų40.617%0.17322%0.222CC..Hα-helixtrans-63.4-38.7175.1-177.563.3000112.1L19 I22 L23 I26 A42 F43 W49 Y50L19-L46 HydrophobicContact CD1-CD1 4.18Å; I22-L46 HydrophobicContact CG2-CD2 3.94Å; L23-L46 HydrophobicContact CD2-CD2 3.89Å; L23-L46 HydrophobicContact CD2-CG 4.06Å; I26-L46 HydrophobicContact CD1-CD2 3.63Å; A42-L46 WeakPolarHBondContact O-CB 3.45Å; A42-L46 PolarHBondContact O-N 3.4Å; F43-L46 PolarHBondContact O-N 3.22Å; L46-W49 HydrophobicContact CD1-CE3 3.98Å; L46-W49 HydrophobicContact CD1-CZ3 4.39Å; L46-W49 PolarHBondContact O-N 2.88Å; L46-Y50 WeakPolarHBondContact O-CB 3.4Å; L46-Y50 PolarHBondContact O-N 2.98Å
47L89.1Confident88.1Confident5 Ų541.7 Ų41.73%0.02622%0.22CC..Hα-helixtrans-62.4-47.8173.1-73.7174.2000112.1L23 F43 N44 F45 W49 Y50 Y51 F102L23-L47 HydrophobicContact CD1-CD2 4.03Å; L23-L47 HydrophobicContact CD2-CD2 3.65Å; L23-L47 HydrophobicContact CD2-CG 4.14Å; L23-L47 HydrophobicContact CG-CD2 4.47Å; F43-L47 HydrophobicContact CD1-CD1 4.1Å; F43-L47 HydrophobicContact CE1-CD1 3.55Å; F43-L47 HydrophobicContact CE1-CG 4.27Å; F43-L47 HydrophobicContact CE2-CD1 4.49Å; F43-L47 HydrophobicContact CE2-CG 4.38Å; F43-L47 HydrophobicContact CZ-CD1 3.78Å; F43-L47 HydrophobicContact CZ-CD2 4.3Å; F43-L47 HydrophobicContact CZ-CG 4.1Å; F43-L47 PolarHBondContact O-N 3.29Å; N44-L47 PolarHBondContact O-N 2.85Å; F45-L47 VanDerWaalsContact C-N 3.35Å; F45-L47 PolarHBondContact O-N 2.85Å; L47-W49 PolarHBondContact O-N 3.41Å; L47-Y50 PolarHBondContact O-N 2.92Å; L47-Y51 HydrophobicContact CD2-CE2 4.1Å; L47-Y51 VanDerWaalsContact O-CD2 3.24Å; L47-Y51 WeakPolarHBondContact O-CD2 3.3Å; L47-Y51 PolarHBondContact O-N 3.22Å; L47-F102 HydrophobicContact CD1-CE1 4.2Å; L47-F102 HydrophobicContact CD1-CZ 3.87Å
48V92.7Very high88.6Confident32 Ų3239.5 Ų39.519%0.19421%0.212CC..Hα-helixtrans-56.3-50.3175.6170.50000110.5N44 F45 Y50 C52 T80N44-V48 WeakPolarHBondContact O-CG2 3.37Å; N44-V48 PolarHBondContact O-N 3.36Å; F45-V48 PolarHBondContact O-N 2.83Å; V48-Y50 VanDerWaalsContact C-N 3.33Å; V48-Y50 PolarHBondContact O-N 3.31Å; V48-C52 WeakPolarHBondContact O-CB 3.25Å; V48-C52 PolarHBondContact O-N 3.34Å; V48-C52 PolarHBondContact O-SG 3.48Å; V48-C52 VanDerWaalsContact O-SG 3.37Å; V48-T80 HydrophobicContact CG1-CG2 4.18Å
49W92.8Very high89.1Confident111 Ų11136.5 Ų36.542%0.4220%0.196SC..Hα-helixtrans-61.3-40.1178.4175.591.1000112.4F15 L19 F45 L46 L47 T53F15-W49 AromaticContact CE2-CH2 3.84Å; F15-W49 HydrophobicContact CE2-CH2 3.84Å; F15-W49 HydrophobicContact CE2-CZ3 4.25Å; F15-W49 AromaticContact CZ-CH2 3.98Å; F15-W49 HydrophobicContact CZ-CH2 3.98Å; F15-W49 HydrophobicContact CZ-CZ3 4.04Å; L19-W49 HydrophobicContact CD1-CH2 4.5Å; L19-W49 HydrophobicContact CD1-CZ3 3.7Å; L19-W49 HydrophobicContact CG-CZ3 3.99Å; F45-W49 WeakPolarHBondContact O-CB 3.48Å; F45-W49 PolarHBondContact O-N 2.97Å; L46-W49 HydrophobicContact CD1-CE3 3.98Å; L46-W49 HydrophobicContact CD1-CZ3 4.39Å; L46-W49 PolarHBondContact O-N 2.88Å; L47-W49 PolarHBondContact O-N 3.41Å; W49-T53 VanDerWaalsContact O-CB 3.31Å; W49-T53 WeakPolarHBondContact O-CB 3.4Å; W49-T53 PolarHBondContact O-N 2.69Å; W49-T53 PolarHBondContact O-OG1 3.17Å
50Y91.6Very high89.5Confident1 Ų138.6 Ų38.60%0.00421%0.205CC..Hα-helixtrans-65.6-52.7179.6175.3-119.5000111.7F15 L19 L23 L46 L47 V48 C52 T53 L54F15-Y50 HydrophobicContact CE1-CD2 4.08Å; F15-Y50 HydrophobicContact CE1-CE2 4.05Å; F15-Y50 HydrophobicContact CZ-CD2 4.27Å; L19-Y50 HydrophobicContact CB-CD2 3.64Å; L19-Y50 HydrophobicContact CB-CE2 3.53Å; L19-Y50 HydrophobicContact CG-CD2 3.96Å; L19-Y50 HydrophobicContact CG-CE2 4.26Å; L23-Y50 HydrophobicContact CD1-CD1 3.74Å; L23-Y50 HydrophobicContact CD1-CE1 3.92Å; L23-Y50 HydrophobicContact CD1-CG 4.23Å; L46-Y50 WeakPolarHBondContact O-CB 3.4Å; L46-Y50 PolarHBondContact O-N 2.98Å; L47-Y50 PolarHBondContact O-N 2.92Å; V48-Y50 VanDerWaalsContact C-N 3.33Å; V48-Y50 PolarHBondContact O-N 3.31Å; Y50-C52 PolarHBondContact O-N 2.96Å; Y50-T53 PolarHBondContact O-N 3.41Å; Y50-T53 VanDerWaalsContact O-N 3.12Å; Y50-L54 HydrophobicContact CD1-CD1 4.14Å; Y50-L54 HydrophobicContact CD2-CG 4.24Å; Y50-L54 HydrophobicContact CE1-CD1 3.65Å; Y50-L54 HydrophobicContact CE1-CG 4.38Å; Y50-L54 HydrophobicContact CE2-CD1 4.05Å; Y50-L54 HydrophobicContact CE2-CD2 3.95Å; Y50-L54 HydrophobicContact CE2-CG 3.92Å; Y50-L54 WeakPolarHBondContact O-CG 3.42Å; Y50-L54 PolarHBondContact O-N 2.91Å
51Y90.7Very high89.7Confident17 Ų1738.8 Ų38.87%0.06721%0.206CC..Hα-helixtrans-66.6-35179.9-72.7-66.7000112.8L47 L54 T55 H76 T80 Q109L47-Y51 HydrophobicContact CD2-CE2 4.1Å; L47-Y51 VanDerWaalsContact O-CD2 3.24Å; L47-Y51 WeakPolarHBondContact O-CD2 3.3Å; L47-Y51 PolarHBondContact O-N 3.22Å; Y51-L54 HydrophobicContact CD1-CD1 4.03Å; Y51-L54 HydrophobicContact CE1-CD1 4.39Å; Y51-T55 WeakPolarHBondContact O-CB 3.45Å; Y51-T55 PolarHBondContact O-N 2.94Å; Y51-T55 PolarHBondContact O-OG1 3.44Å; Y51-H76 HydrophobicContact CD1-CB 4.34Å; Y51-H76 AromaticContact CD1-ND1 3.75Å; Y51-H76 AromaticContact CE1-ND1 4Å; Y51-T80 WeakPolarHBondContact CB-OG1 3.41Å; Y51-Q109 PolarHBondContact OH-OE1 3.3Å
52C92.2Very high89.9Confident52 Ų5241.2 Ų41.235%0.35122%0.215SC..Hα-helixtrans-58-49.3167.2-79.10000111.9V48 Y50 L54 T55 I56 T80V48-C52 WeakPolarHBondContact O-CB 3.25Å; V48-C52 PolarHBondContact O-N 3.34Å; V48-C52 PolarHBondContact O-SG 3.48Å; V48-C52 VanDerWaalsContact O-SG 3.37Å; Y50-C52 PolarHBondContact O-N 2.96Å; C52-L54 PolarHBondContact O-N 2.88Å; C52-T55 PolarHBondContact O-N 3.41Å; C52-I56 WeakPolarHBondContact O-CG1 3.22Å; C52-I56 PolarHBondContact O-N 3.15Å; C52-I56 VanDerWaalsContact O-N 3.12Å; C52-T80 WeakPolarHBondContact SG-CG2 3.45Å
53T92.7Very high89.9Confident27 Ų2745.4 Ų45.417%0.16623%0.229CC..Hα-helixtrans-66.6-38.1-178.2-580000112.2F15 W49 Y50 R57F15-T53 HydrophobicContact CE1-CG2 3.8Å; F15-T53 HydrophobicContact CE2-CG2 4.11Å; F15-T53 HydrophobicContact CZ-CG2 3.39Å; W49-T53 VanDerWaalsContact O-CB 3.31Å; W49-T53 WeakPolarHBondContact O-CB 3.4Å; W49-T53 PolarHBondContact O-N 2.69Å; W49-T53 PolarHBondContact O-OG1 3.17Å; Y50-T53 PolarHBondContact O-N 3.41Å; Y50-T53 VanDerWaalsContact O-N 3.12Å; T53-R57 WeakPolarHBondContact O-CB 3.5Å; T53-R57 VanDerWaalsContact O-CG 3.31Å; T53-R57 WeakPolarHBondContact O-CG 3.43Å; T53-R57 PolarHBondContact O-N 3.2Å
54L88.3Confident89.9Confident0 Ų048 Ų480%024%0.243CC..Hα-helixtrans-58.5-50.5170.7-73.2-178.9000111.1Y12 F15 K16 Y50 Y51 C52 I56 R57 E58Y12-L54 HydrophobicContact CE2-CD2 4.08Å; F15-L54 HydrophobicContact CD1-CD2 4.41Å; F15-L54 HydrophobicContact CE1-CD2 4.19Å; K16-L54 HydrophobicContact CD-CD2 4.28Å; K16-L54 HydrophobicContact CG-CD2 3.69Å; Y50-L54 HydrophobicContact CD1-CD1 4.14Å; Y50-L54 HydrophobicContact CD2-CG 4.24Å; Y50-L54 HydrophobicContact CE1-CD1 3.65Å; Y50-L54 HydrophobicContact CE1-CG 4.38Å; Y50-L54 HydrophobicContact CE2-CD1 4.05Å; Y50-L54 HydrophobicContact CE2-CD2 3.95Å; Y50-L54 HydrophobicContact CE2-CG 3.92Å; Y50-L54 WeakPolarHBondContact O-CG 3.42Å; Y50-L54 PolarHBondContact O-N 2.91Å; Y51-L54 HydrophobicContact CD1-CD1 4.03Å; Y51-L54 HydrophobicContact CE1-CD1 4.39Å; C52-L54 PolarHBondContact O-N 2.88Å; L54-I56 VanDerWaalsContact C-N 3.3Å; L54-I56 PolarHBondContact O-N 3.1Å; L54-R57 PolarHBondContact O-N 2.87Å; L54-R57 VanDerWaalsContact O-N 3.14Å; L54-E58 WeakPolarHBondContact O-CB 3.29Å; L54-E58 WeakPolarHBondContact O-CG 3.28Å; L54-E58 PolarHBondContact O-N 3.13Å
55T91.4Very high89.6Confident8 Ų850.9 Ų50.95%0.04927%0.273CS..Hα-helixtrans-58.1-41.4-177.2-57.20000112Y51 C52 S59 V73 H76 Y77Y51-T55 WeakPolarHBondContact O-CB 3.45Å; Y51-T55 PolarHBondContact O-N 2.94Å; Y51-T55 PolarHBondContact O-OG1 3.44Å; C52-T55 PolarHBondContact O-N 3.41Å; T55-S59 WeakPolarHBondContact O-CB 3.22Å; T55-S59 PolarHBondContact O-N 2.95Å; T55-S59 PolarHBondContact O-OG 3.3Å; T55-V73 HydrophobicContact CG2-CG1 4.27Å; T55-H76 WeakPolarHBondContact OG1-CB 3.3Å; T55-Y77 HydrophobicContact CG2-CD1 4.29Å; T55-Y77 HydrophobicContact CG2-CD2 4.46Å; T55-Y77 HydrophobicContact CG2-CE1 3.67Å; T55-Y77 HydrophobicContact CG2-CE2 3.87Å; T55-Y77 VanDerWaalsContact CG2-CZ 3.42Å
56I91.1Very high89.2Confident108 Ų10846.2 Ų46.255%0.55426%0.257SS*.Hα-helixtrans-66.8-48.1175.7-63.7167.3000110.9C52 L54 E58 S59 I60C52-I56 WeakPolarHBondContact O-CG1 3.22Å; C52-I56 PolarHBondContact O-N 3.15Å; C52-I56 VanDerWaalsContact O-N 3.12Å; L54-I56 VanDerWaalsContact C-N 3.3Å; L54-I56 PolarHBondContact O-N 3.1Å; I56-E58 VanDerWaalsContact C-N 3.35Å; I56-E58 PolarHBondContact O-N 2.71Å; I56-S59 PolarHBondContact O-N 3.12Å; I56-I60 HydrophobicContact CG2-CD1 4.18Å; I56-I60 WeakPolarHBondContact O-CG1 3.37Å; I56-I60 PolarHBondContact O-N 2.72Å; I56-I60 VanDerWaalsContact O-N 3.08Å
57R90.4Very high88.6Confident66 Ų6656.5 Ų56.525%0.24929%0.293CS..Hα-helixtrans-64.1-37.9179.4-70.1176.6179.7-119.64.6112.5Y12 T53 L54 I60 L61Y12-R57 HydrophobicContact CD2-CB 3.77Å; Y12-R57 HydrophobicContact CE2-CB 4.33Å; T53-R57 WeakPolarHBondContact O-CB 3.5Å; T53-R57 VanDerWaalsContact O-CG 3.31Å; T53-R57 WeakPolarHBondContact O-CG 3.43Å; T53-R57 PolarHBondContact O-N 3.2Å; L54-R57 PolarHBondContact O-N 2.87Å; L54-R57 VanDerWaalsContact O-N 3.14Å; R57-I60 PolarHBondContact O-N 3.24Å; R57-L61 WeakPolarHBondContact O-CG 3.47Å; R57-L61 PolarHBondContact O-N 3.49Å
58E87.6Confident88.3Confident9 Ų958.2 Ų58.24%0.04230%0.302CS..Hα-helixtrans-72-36.3177.4-72.6-175.2-159.700112.2Y12 L54 I56 I60 L61 I62 I68 H76Y12-E58 HydrophobicContact CE2-CG 3.67Å; Y12-E58 VanDerWaalsContact OH-CD 3.31Å; Y12-E58 WeakPolarHBondContact OH-CG 3.24Å; Y12-E58 PolarHBondContact OH-OE1 2.99Å; L54-E58 WeakPolarHBondContact O-CB 3.29Å; L54-E58 WeakPolarHBondContact O-CG 3.28Å; L54-E58 PolarHBondContact O-N 3.13Å; I56-E58 VanDerWaalsContact C-N 3.35Å; I56-E58 PolarHBondContact O-N 2.71Å; E58-I60 VanDerWaalsContact C-N 3.3Å; E58-I60 PolarHBondContact O-N 2.94Å; E58-L61 WeakPolarHBondContact O-CB 3.13Å; E58-L61 PolarHBondContact O-N 2.74Å; E58-L61 VanDerWaalsContact O-N 3.13Å; E58-I62 VanDerWaalsContact O-CG1 3.3Å; E58-I62 WeakPolarHBondContact O-CG1 3.31Å; E58-I62 PolarHBondContact O-N 3.37Å; E58-I68 HydrophobicContact CB-CD1 3.82Å; E58-I68 HydrophobicContact CG-CD1 3.82Å; E58-H76 IonicContact OE1-CD2 3.06Å; E58-H76 IonicContact OE1-CE1 2.74Å; E58-H76 IonicContact OE1-NE2 3.33Å; E58-H76 PolarHBondContact OE1-NE2 2.98Å; E58-H76 IonicContact OE2-CD2 2.73Å; E58-H76 PolarHBondContact OE2-CD2 3.13Å; E58-H76 IonicContact OE2-NE2 3.3Å; E58-H76 PolarHBondContact OE2-NE2 3.11Å
59S88.9Confident87.9Confident51 Ų5164.1 Ų64.136%0.35733%0.325SS..Hα-helixtrans-59-42.4169.8-60.50000111.5T55 I56 I62 N63T55-S59 WeakPolarHBondContact O-CB 3.22Å; T55-S59 PolarHBondContact O-N 2.95Å; T55-S59 PolarHBondContact O-OG 3.3Å; I56-S59 PolarHBondContact O-N 3.12Å; S59-I62 PolarHBondContact O-N 3.03Å; S59-N63 PolarHBondContact O-N 2.96Å
60I89.6Confident87.3Confident71 Ų7161.4 Ų61.436%0.36433%0.331SS..Hα-helixtrans-65.1-38.9174-66.8164.6000111.1Y8 I56 R57 E58 N64Y8-I60 HydrophobicContact CD1-CG2 4.38Å; Y8-I60 HydrophobicContact CE1-CB 4.22Å; Y8-I60 HydrophobicContact CE1-CG2 3.66Å; Y8-I60 HydrophobicContact CE2-CG2 4.28Å; Y8-I60 WeakPolarHBondContact OH-CD1 3.44Å; I56-I60 HydrophobicContact CG2-CD1 4.18Å; I56-I60 WeakPolarHBondContact O-CG1 3.37Å; I56-I60 PolarHBondContact O-N 2.72Å; I56-I60 VanDerWaalsContact O-N 3.08Å; R57-I60 PolarHBondContact O-N 3.24Å; E58-I60 VanDerWaalsContact C-N 3.3Å; E58-I60 PolarHBondContact O-N 2.94Å; I60-N64 WeakPolarHBondContact CG2-ND2 3.4Å; I60-N64 WeakPolarHBondContact O-CB 3.4Å; I60-N64 PolarHBondContact O-N 3.42Å; I60-N64 PolarHBondContact O-ND2 3Å
61L87.1Confident87Confident6 Ų668 Ų683%0.03136%0.357CS..Hα-helixtrans-65.6-40.9174.8-74.3171.3000112.7Y8 K9 Y12 R57 E58 N64 G65 S66 I68Y8-L61 HydrophobicContact CD1-CD2 3.85Å; Y8-L61 HydrophobicContact CD1-CG 4.38Å; Y8-L61 HydrophobicContact CE1-CD2 4.08Å; Y8-L61 HydrophobicContact CE1-CG 4.09Å; K9-L61 HydrophobicContact CB-CD2 4.15Å; K9-L61 HydrophobicContact CG-CD2 4.3Å; Y12-L61 HydrophobicContact CD1-CD1 3.42Å; Y12-L61 VanDerWaalsContact CD1-CD1 3.42Å; Y12-L61 HydrophobicContact CD2-CD1 4.07Å; Y12-L61 HydrophobicContact CE1-CD1 3.49Å; Y12-L61 VanDerWaalsContact CE1-CD1 3.49Å; Y12-L61 HydrophobicContact CE2-CD1 4.16Å; Y12-L61 HydrophobicContact CG-CD1 3.71Å; R57-L61 WeakPolarHBondContact O-CG 3.47Å; R57-L61 PolarHBondContact O-N 3.49Å; E58-L61 WeakPolarHBondContact O-CB 3.13Å; E58-L61 PolarHBondContact O-N 2.74Å; E58-L61 VanDerWaalsContact O-N 3.13Å; L61-N64 CarbonylContact O-C 3.59Å; L61-N64 WeakPolarHBondContact O-CB 3.33Å; L61-N64 PolarHBondContact O-N 3.12Å; L61-G65 PolarHBondContact O-N 3.46Å; L61-S66 WeakPolarHBondContact O-CB 3.49Å; L61-S66 PolarHBondContact O-N 2.95Å; L61-I68 HydrophobicContact CB-CD1 4Å; L61-I68 HydrophobicContact CD1-CD1 4.3Å
62I87.8Confident86.6Confident77 Ų7771.1 Ų71.140%0.39537%0.368SS..Hα-helixtrans-61.6-50.8176.6-70.8161.9000109.9E58 S59 N64 G65 I68 V73E58-I62 VanDerWaalsContact O-CG1 3.3Å; E58-I62 WeakPolarHBondContact O-CG1 3.31Å; E58-I62 PolarHBondContact O-N 3.37Å; S59-I62 PolarHBondContact O-N 3.03Å; I62-N64 PolarHBondContact O-N 3.46Å; I62-G65 WeakPolarHBondContact O-CA 3.38Å; I62-G65 PolarHBondContact O-N 3.23Å; I62-I68 HydrophobicContact CD1-CB 4.17Å; I62-I68 HydrophobicContact CG1-CB 3.96Å; I62-I68 HydrophobicContact CG1-CD1 4.18Å; I62-I68 HydrophobicContact CG1-CG1 4.22Å; I62-V73 HydrophobicContact CD1-CG2 4.05Å
63N87.4Confident86.3Confident147 Ų14769.4 Ų69.479%0.78636%0.356SS*.Hα-helixtrans-61-28.8175.5-167.224.6000112.4S59 G65S59-N63 PolarHBondContact O-N 2.96Å; N63-G65 VanDerWaalsContact C-N 3.27Å; N63-G65 PolarHBondContact O-N 3.48Å
64N86.9Confident86.1Confident55 Ų5573.4 Ų73.429%0.29437%0.371SS..THydrogen-bonded Turntrans-75-9.9172.7-86.9-66000114.7K5 I60 L61 I62K5-N64 HydrophobicContact CD-CB 4.12Å; K5-N64 WeakPolarHBondContact CD-OD1 3.3Å; K5-N64 WeakPolarHBondContact CE-OD1 3.46Å; K5-N64 WeakPolarHBondContact CG-OD1 3.43Å; K5-N64 PolarHBondContact NZ-O 3.34Å; K5-N64 PolarHBondContact NZ-OD1 2.96Å; I60-N64 WeakPolarHBondContact CG2-ND2 3.4Å; I60-N64 WeakPolarHBondContact O-CB 3.4Å; I60-N64 PolarHBondContact O-N 3.42Å; I60-N64 PolarHBondContact O-ND2 3Å; L61-N64 CarbonylContact O-C 3.59Å; L61-N64 WeakPolarHBondContact O-CB 3.33Å; L61-N64 PolarHBondContact O-N 3.12Å; I62-N64 PolarHBondContact O-N 3.46Å
65G83.3Confident86Confident63 Ų6374.5 Ų74.565%0.64938%0.376SS*.THydrogen-bonded Turntrans107.510.9179.600000115.3L61 I62 N63L61-G65 PolarHBondContact O-N 3.46Å; I62-G65 WeakPolarHBondContact O-CA 3.38Å; I62-G65 PolarHBondContact O-N 3.23Å; N63-G65 VanDerWaalsContact C-N 3.27Å; N63-G65 PolarHBondContact O-N 3.48Å
66S81.4Confident85.9Confident31 Ų3174.9 Ų74.922%0.21738%0.377CS..  trans-77.4125.8179.2-166.70000111.7L61 I68L61-S66 WeakPolarHBondContact O-CB 3.49Å; L61-S66 PolarHBondContact O-N 2.95Å; S66-I68 PolarHBondContact O-N 2.96Å
67R78.3Confident85.8Confident249 Ų24976.3 Ų76.394%0.9438%0.377SS*.  trans-79.564.6-179.7-60.8-174.673.8176.44.2112.3
68I83.3Confident85.8Confident42 Ų4275.5 Ų75.522%0.21538%0.379CS..  trans-76.9136.3171-54.8-176.9000108.6E58 L61 I62 S66 V73E58-I68 HydrophobicContact CB-CD1 3.82Å; E58-I68 HydrophobicContact CG-CD1 3.82Å; L61-I68 HydrophobicContact CB-CD1 4Å; L61-I68 HydrophobicContact CD1-CD1 4.3Å; I62-I68 HydrophobicContact CD1-CB 4.17Å; I62-I68 HydrophobicContact CG1-CB 3.96Å; I62-I68 HydrophobicContact CG1-CD1 4.18Å; I62-I68 HydrophobicContact CG1-CG1 4.22Å; S66-I68 PolarHBondContact O-N 2.96Å; I68-V73 HydrophobicContact CG2-CG2 4.05Å
69K83.1Confident85.9Confident155 Ų15576.3 Ų76.367%0.67439%0.386SS*.  trans-76.8130.4175.1-60.8-173.4179.2-174.40109.5W71 W72K69-W71 PolarHBondContact O-N 3.29Å; K69-W72 PolarHBondContact O-N 3.28Å
70G80.4Confident86.1Confident54 Ų5475 Ų7556%0.55738%0.376SS*.Hα-helixtrans-55-27.7179.400000114.8W72 V73 F74G70-W72 VanDerWaalsContact C-N 3.3Å; G70-W72 PolarHBondContact O-N 2.8Å; G70-V73 PolarHBondContact O-N 2.74Å; G70-V73 VanDerWaalsContact O-N 3.17Å; G70-F74 PolarHBondContact O-N 2.73Å
71W85.2Confident86.1Confident141 Ų14178.3 Ų78.353%0.53439%0.388SS..Hα-helixtrans-56.2-37.5172.7-179.1-114.2000113.9K69 F74 H75K69-W71 PolarHBondContact O-N 3.29Å; W71-F74 AromaticContact CE3-CD1 3.89Å; W71-F74 HydrophobicContact CE3-CD1 3.89Å; W71-F74 HydrophobicContact CH2-CD1 4.41Å; W71-F74 HydrophobicContact CH2-CE1 4.44Å; W71-F74 AromaticContact CZ3-CD1 3.63Å; W71-F74 HydrophobicContact CZ3-CD1 3.63Å; W71-F74 AromaticContact CZ3-CE1 3.86Å; W71-F74 HydrophobicContact CZ3-CE1 3.86Å; W71-H75 AromaticContact CD1-CD2 3.82Å; W71-H75 AromaticContact CE2-CD2 3.49Å; W71-H75 VanDerWaalsContact CE2-CD2 3.49Å; W71-H75 AromaticContact CE2-NE2 3.3Å; W71-H75 VanDerWaalsContact CE2-NE2 3.3Å; W71-H75 AromaticContact CZ2-CD2 3.85Å; W71-H75 AromaticContact CZ2-CE1 3.86Å; W71-H75 AromaticContact CZ2-NE2 3.25Å; W71-H75 WeakPolarHBondContact CZ2-NE2 3.48Å; W71-H75 AromaticContact NE1-CD2 3.29Å; W71-H75 PolarHBondContact NE1-CD2 2.92Å; W71-H75 VanDerWaalsContact NE1-CD2 3.29Å; W71-H75 AromaticContact NE1-NE2 3.21Å; W71-H75 PolarHBondContact NE1-NE2 3.25Å; W71-H75 PolarHBondContact O-N 2.95Å
72W83.1Confident86.2Confident82 Ų8282.2 Ų82.231%0.31141%0.408SS..Hα-helixtrans-69.4-41.3176.4-67.5118.1000111.5K69 G70 H75 H76 L158K69-W72 PolarHBondContact O-N 3.28Å; G70-W72 VanDerWaalsContact C-N 3.3Å; G70-W72 PolarHBondContact O-N 2.8Å; W72-H75 WeakPolarHBondContact O-CB 3.5Å; W72-H75 PolarHBondContact O-N 3.46Å; W72-H76 PolarHBondContact O-N 2.87Å; W72-L158 HydrophobicContact CH2-CD2 3.78Å; W72-L158 HydrophobicContact CH2-CG 4.3Å; W72-L158 HydrophobicContact CZ2-CD2 3.98Å
73V85.7Confident86.3Confident15 Ų1578.8 Ų78.89%0.09139%0.391CS..Hα-helixtrans-65.5-40.4177.2-166.30000110.8T55 I62 I68 G70 H76 Y77T55-V73 HydrophobicContact CG2-CG1 4.27Å; I62-V73 HydrophobicContact CD1-CG2 4.05Å; I68-V73 HydrophobicContact CG2-CG2 4.05Å; G70-V73 PolarHBondContact O-N 2.74Å; G70-V73 VanDerWaalsContact O-N 3.17Å; V73-H76 WeakPolarHBondContact O-CB 3.47Å; V73-H76 PolarHBondContact O-N 3.3Å; V73-Y77 HydrophobicContact CG1-CD2 4.25Å; V73-Y77 HydrophobicContact CG1-CE2 3.82Å; V73-Y77 WeakPolarHBondContact O-CD2 3.47Å; V73-Y77 PolarHBondContact O-N 3.33Å; V73-Y77 VanDerWaalsContact O-N 3.1Å
74F87.8Confident86.4Confident111 Ų11172.9 Ų72.949%0.48737%0.365SS..Hα-helixtrans-60.3-45171.5177.3-102.6000112.2G70 W71 H76 Y77 V78G70-F74 PolarHBondContact O-N 2.73Å; W71-F74 AromaticContact CE3-CD1 3.89Å; W71-F74 HydrophobicContact CE3-CD1 3.89Å; W71-F74 HydrophobicContact CH2-CD1 4.41Å; W71-F74 HydrophobicContact CH2-CE1 4.44Å; W71-F74 AromaticContact CZ3-CD1 3.63Å; W71-F74 HydrophobicContact CZ3-CD1 3.63Å; W71-F74 AromaticContact CZ3-CE1 3.86Å; W71-F74 HydrophobicContact CZ3-CE1 3.86Å; F74-H76 VanDerWaalsContact C-N 3.29Å; F74-H76 PolarHBondContact O-N 2.75Å; F74-Y77 PolarHBondContact O-N 2.94Å; F74-V78 HydrophobicContact CD1-CG2 4.32Å; F74-V78 HydrophobicContact CE1-CG2 3.85Å; F74-V78 HydrophobicContact CE2-CG2 4.06Å; F74-V78 HydrophobicContact CZ-CG2 3.7Å; F74-V78 WeakPolarHBondContact O-CG2 3.49Å; F74-V78 PolarHBondContact O-N 3.5Å
75H85.3Confident86.5Confident23 Ų2372.8 Ų72.811%0.10637%0.366CS..Hα-helixtrans-57.6-38.7173-96.9-57000112.7W71 W72 V78 S79 H162 Q165W71-H75 AromaticContact CD1-CD2 3.82Å; W71-H75 AromaticContact CE2-CD2 3.49Å; W71-H75 VanDerWaalsContact CE2-CD2 3.49Å; W71-H75 AromaticContact CE2-NE2 3.3Å; W71-H75 VanDerWaalsContact CE2-NE2 3.3Å; W71-H75 AromaticContact CZ2-CD2 3.85Å; W71-H75 AromaticContact CZ2-CE1 3.86Å; W71-H75 AromaticContact CZ2-NE2 3.25Å; W71-H75 WeakPolarHBondContact CZ2-NE2 3.48Å; W71-H75 AromaticContact NE1-CD2 3.29Å; W71-H75 PolarHBondContact NE1-CD2 2.92Å; W71-H75 VanDerWaalsContact NE1-CD2 3.29Å; W71-H75 AromaticContact NE1-NE2 3.21Å; W71-H75 PolarHBondContact NE1-NE2 3.25Å; W71-H75 PolarHBondContact O-N 2.95Å; W72-H75 WeakPolarHBondContact O-CB 3.5Å; W72-H75 PolarHBondContact O-N 3.46Å; H75-V78 PolarHBondContact O-N 2.99Å; H75-S79 VanDerWaalsContact O-CB 3.3Å; H75-S79 WeakPolarHBondContact O-CB 3.41Å; H75-S79 PolarHBondContact O-N 2.85Å; H75-S79 PolarHBondContact O-OG 3.36Å; H75-H162 AromaticContact NE2-CE1 3.36Å; H75-H162 PolarHBondContact NE2-CE1 2.97Å; H75-H162 AromaticContact NE2-ND1 3.83Å; H75-Q165 PolarHBondContact CE1-OE1 3.37Å
76H90.1Very high86.7Confident16 Ų1670.2 Ų70.27%0.07434%0.338CS..Hα-helixtrans-63.5-47.4175.8-62.2-32.5000111.4Y51 T55 E58 W72 V73 F74 V78 S79 T80Y51-H76 HydrophobicContact CD1-CB 4.34Å; Y51-H76 AromaticContact CD1-ND1 3.75Å; Y51-H76 AromaticContact CE1-ND1 4Å; T55-H76 WeakPolarHBondContact OG1-CB 3.3Å; E58-H76 IonicContact OE1-CD2 3.06Å; E58-H76 IonicContact OE1-CE1 2.74Å; E58-H76 IonicContact OE1-NE2 3.33Å; E58-H76 PolarHBondContact OE1-NE2 2.98Å; E58-H76 IonicContact OE2-CD2 2.73Å; E58-H76 PolarHBondContact OE2-CD2 3.13Å; E58-H76 IonicContact OE2-NE2 3.3Å; E58-H76 PolarHBondContact OE2-NE2 3.11Å; W72-H76 PolarHBondContact O-N 2.87Å; V73-H76 WeakPolarHBondContact O-CB 3.47Å; V73-H76 PolarHBondContact O-N 3.3Å; F74-H76 VanDerWaalsContact C-N 3.29Å; F74-H76 PolarHBondContact O-N 2.75Å; H76-V78 PolarHBondContact O-N 3.08Å; H76-S79 PolarHBondContact O-N 2.91Å; H76-S79 VanDerWaalsContact O-N 3.14Å; H76-T80 PolarHBondContact O-N 3.39Å; H76-T80 PolarHBondContact O-OG1 3.02Å; H76-T80 VanDerWaalsContact O-OG1 3.13Å
77Y89.6Confident87Confident138 Ų13871.2 Ų71.254%0.54134%0.34SS..Hα-helixtrans-57.4-46175.8-75.9-67.6000112.4T55 V73 F74 S79 T80 F81T55-Y77 HydrophobicContact CG2-CD1 4.29Å; T55-Y77 HydrophobicContact CG2-CD2 4.46Å; T55-Y77 HydrophobicContact CG2-CE1 3.67Å; T55-Y77 HydrophobicContact CG2-CE2 3.87Å; T55-Y77 VanDerWaalsContact CG2-CZ 3.42Å; V73-Y77 HydrophobicContact CG1-CD2 4.25Å; V73-Y77 HydrophobicContact CG1-CE2 3.82Å; V73-Y77 WeakPolarHBondContact O-CD2 3.47Å; V73-Y77 PolarHBondContact O-N 3.33Å; V73-Y77 VanDerWaalsContact O-N 3.1Å; F74-Y77 PolarHBondContact O-N 2.94Å; Y77-S79 VanDerWaalsContact C-N 3.33Å; Y77-S79 PolarHBondContact O-N 3.32Å; Y77-T80 WeakPolarHBondContact O-CB 3.09Å; Y77-T80 PolarHBondContact O-N 2.73Å; Y77-F81 PolarHBondContact O-N 3.06Å
78V89.8Confident87.4Confident50 Ų5064.6 Ų64.630%0.30333%0.327SS..Hα-helixtrans-63.6-39.4176.41740000111.2F74 H75 H76 F81 L82F74-V78 HydrophobicContact CD1-CG2 4.32Å; F74-V78 HydrophobicContact CE1-CG2 3.85Å; F74-V78 HydrophobicContact CE2-CG2 4.06Å; F74-V78 HydrophobicContact CZ-CG2 3.7Å; F74-V78 WeakPolarHBondContact O-CG2 3.49Å; F74-V78 PolarHBondContact O-N 3.5Å; H75-V78 PolarHBondContact O-N 2.99Å; H76-V78 PolarHBondContact O-N 3.08Å; V78-F81 PolarHBondContact O-N 2.99Å; V78-L82 HydrophobicContact CG1-CD1 3.8Å; V78-L82 HydrophobicContact CG1-CG 4.27Å; V78-L82 WeakPolarHBondContact O-CB 3.46Å; V78-L82 WeakPolarHBondContact O-CG 3.47Å; V78-L82 PolarHBondContact O-N 2.87Å
79S89.6Confident87.4Confident25 Ų2564.8 Ų64.818%0.17533%0.325CS..Hα-helixtrans-68.2-38.6178.8-56.50000112.4H75 H76 Y77 S83H75-S79 VanDerWaalsContact O-CB 3.3Å; H75-S79 WeakPolarHBondContact O-CB 3.41Å; H75-S79 PolarHBondContact O-N 2.85Å; H75-S79 PolarHBondContact O-OG 3.36Å; H76-S79 PolarHBondContact O-N 2.91Å; H76-S79 VanDerWaalsContact O-N 3.14Å; Y77-S79 VanDerWaalsContact C-N 3.33Å; Y77-S79 PolarHBondContact O-N 3.32Å; S79-S83 VanDerWaalsContact O-CB 3.29Å; S79-S83 WeakPolarHBondContact O-CB 3.37Å; S79-S83 PolarHBondContact O-N 2.85Å; S79-S83 PolarHBondContact O-OG 3.16Å
80T92.8Very high87.3Confident25 Ų2561.1 Ų61.115%0.15332%0.317CS..Hα-helixtrans-57.3-51.6169.3-610000110.7V48 Y51 C52 H76 Y77 S83 G84V48-T80 HydrophobicContact CG1-CG2 4.18Å; Y51-T80 WeakPolarHBondContact CB-OG1 3.41Å; C52-T80 WeakPolarHBondContact SG-CG2 3.45Å; H76-T80 PolarHBondContact O-N 3.39Å; H76-T80 PolarHBondContact O-OG1 3.02Å; H76-T80 VanDerWaalsContact O-OG1 3.13Å; Y77-T80 WeakPolarHBondContact O-CB 3.09Å; Y77-T80 PolarHBondContact O-N 2.73Å; T80-S83 PolarHBondContact O-N 2.8Å; T80-G84 PolarHBondContact O-N 3.1Å
81F90.2Very high87.2Confident140 Ų14063 Ų6361%0.61432%0.315SS*.Hα-helixtrans-60.7-49.6-178.4174.8-101.3000112Y77 V78 S83 G84 V85Y77-F81 PolarHBondContact O-N 3.06Å; V78-F81 PolarHBondContact O-N 2.99Å; F81-S83 VanDerWaalsContact C-N 3.35Å; F81-S83 PolarHBondContact O-N 3.21Å; F81-G84 WeakPolarHBondContact O-CA 3.44Å; F81-G84 PolarHBondContact O-N 2.93Å; F81-G84 VanDerWaalsContact O-N 3.09Å; F81-V85 HydrophobicContact CD1-CG2 4.44Å; F81-V85 HydrophobicContact CE1-CG2 3.98Å; F81-V85 HydrophobicContact CE2-CG2 4.29Å; F81-V85 HydrophobicContact CZ-CG2 3.89Å; F81-V85 PolarHBondContact O-N 3.33Å
82L89.6Confident86.9Confident87 Ų8757.1 Ų57.146%0.45530%0.298SS..Hα-helixtrans-64.3-37.5179.6-68.1174.3000112.5V78 G84 V85 M86V78-L82 HydrophobicContact CG1-CD1 3.8Å; V78-L82 HydrophobicContact CG1-CG 4.27Å; V78-L82 WeakPolarHBondContact O-CB 3.46Å; V78-L82 WeakPolarHBondContact O-CG 3.47Å; V78-L82 PolarHBondContact O-N 2.87Å; L82-G84 VanDerWaalsContact C-N 3.29Å; L82-G84 PolarHBondContact O-N 2.89Å; L82-V85 PolarHBondContact O-N 2.91Å; L82-M86 WeakPolarHBondContact O-CG 3.49Å; L82-M86 PolarHBondContact O-N 3.35Å
83S89Confident86.8Confident6 Ų657.8 Ų57.84%0.04231%0.308CS..Hα-helixtrans-67-32.5173.6-540000111.6S79 T80 F81 L87S79-S83 VanDerWaalsContact O-CB 3.29Å; S79-S83 WeakPolarHBondContact O-CB 3.37Å; S79-S83 PolarHBondContact O-N 2.85Å; S79-S83 PolarHBondContact O-OG 3.16Å; T80-S83 PolarHBondContact O-N 2.8Å; F81-S83 VanDerWaalsContact C-N 3.35Å; F81-S83 PolarHBondContact O-N 3.21Å; S83-L87 WeakPolarHBondContact O-CB 3.41Å; S83-L87 PolarHBondContact O-N 3.42Å
84G89.7Confident86.6Confident22 Ų2257.1 Ų57.123%0.22730%0.303CS..Hα-helixtrans-65.5-45171.500000112.6T80 F81 L82 L87 T88T80-G84 PolarHBondContact O-N 3.1Å; F81-G84 WeakPolarHBondContact O-CA 3.44Å; F81-G84 PolarHBondContact O-N 2.93Å; F81-G84 VanDerWaalsContact O-N 3.09Å; L82-G84 VanDerWaalsContact C-N 3.29Å; L82-G84 PolarHBondContact O-N 2.89Å; G84-L87 WeakPolarHBondContact O-CB 3.32Å; G84-L87 PolarHBondContact O-N 2.88Å; G84-T88 PolarHBondContact O-N 3.02Å; G84-T88 PolarHBondContact O-OG1 3.22Å
85V88.8Confident86.3Confident54 Ų5452 Ų5233%0.32728%0.281SS..Hα-helixtrans-59.8-47.3173.8174.10000110.7F81 L82 L87 T88 W89F81-V85 HydrophobicContact CD1-CG2 4.44Å; F81-V85 HydrophobicContact CE1-CG2 3.98Å; F81-V85 HydrophobicContact CE2-CG2 4.29Å; F81-V85 HydrophobicContact CZ-CG2 3.89Å; F81-V85 PolarHBondContact O-N 3.33Å; L82-V85 PolarHBondContact O-N 2.91Å; V85-L87 VanDerWaalsContact C-N 3.3Å; V85-L87 PolarHBondContact O-N 3.34Å; V85-T88 PolarHBondContact O-N 3.24Å; V85-T88 VanDerWaalsContact O-N 3.16Å; V85-T88 PolarHBondContact O-OG1 3.37Å; V85-W89 HydrophobicContact CG1-CE3 4.38Å; V85-W89 PolarHBondContact O-N 2.71Å
86M87.9Confident86.1Confident9 Ų953.9 Ų53.94%0.04429%0.29CS..Hα-helixtrans-63.3-31.1176.3-73-61.3-63.100113.5N44 L82 W89 Y95 F98 F102N44-M86 WeakPolarHBondContact OD1-CB 3.42Å; L82-M86 WeakPolarHBondContact O-CG 3.49Å; L82-M86 PolarHBondContact O-N 3.35Å; M86-W89 HydrophobicContact SD-CE3 3.95Å; M86-W89 HydrophobicContact SD-CZ3 4.36Å; M86-Y95 HydrophobicContact CE-CD2 4.29Å; M86-Y95 HydrophobicContact CE-CE2 3.89Å; M86-F98 HydrophobicContact CE-CD1 3.9Å; M86-F98 HydrophobicContact CE-CE1 4.21Å; M86-F98 HydrophobicContact SD-CD1 3.77Å; M86-F98 HydrophobicContact SD-CE1 3.81Å; M86-F102 HydrophobicContact CB-CZ 4.42Å; M86-F102 HydrophobicContact CE-CB 4.17Å; M86-F102 HydrophobicContact CE-CD1 4.01Å; M86-F102 HydrophobicContact CE-CD2 4.32Å; M86-F102 HydrophobicContact CE-CE1 4.5Å; M86-F102 HydrophobicContact CE-CG 3.91Å; M86-F102 HydrophobicContact CG-CD2 4.22Å; M86-F102 HydrophobicContact CG-CE2 3.95Å; M86-F102 HydrophobicContact CG-CZ 4.15Å
87L87.7Confident85.8Confident51 Ų5157.3 Ų57.327%0.26730%0.304SS..Hα-helixtrans-66.6-42.6172.7178.859.3000111.5R37 A41 N44 F45 S83 G84 V85R37-L87 PolarHBondContact NH2-O 3.22Å; A41-L87 HydrophobicContact CB-CD1 3.88Å; A41-L87 VanDerWaalsContact O-CD1 3.3Å; A41-L87 WeakPolarHBondContact O-CD1 3.31Å; N44-L87 HydrophobicContact CB-CB 3.97Å; N44-L87 HydrophobicContact CB-CD1 4.32Å; F45-L87 HydrophobicContact CB-CD1 4.35Å; F45-L87 HydrophobicContact CB-CD2 4.19Å; F45-L87 HydrophobicContact CD2-CD2 4.29Å; S83-L87 WeakPolarHBondContact O-CB 3.41Å; S83-L87 PolarHBondContact O-N 3.42Å; G84-L87 WeakPolarHBondContact O-CB 3.32Å; G84-L87 PolarHBondContact O-N 2.88Å; V85-L87 VanDerWaalsContact C-N 3.3Å; V85-L87 PolarHBondContact O-N 3.34Å
88T86.6Confident85.6Confident110 Ų11051 Ų5168%0.67528%0.28SS*.Hα-helixtrans-83.8-16.6-177.953.90000115.3G84 V85G84-T88 PolarHBondContact O-N 3.02Å; G84-T88 PolarHBondContact O-OG1 3.22Å; V85-T88 PolarHBondContact O-N 3.24Å; V85-T88 VanDerWaalsContact O-N 3.16Å; V85-T88 PolarHBondContact O-OG1 3.37Å
89W83.5Confident85.3Confident46 Ų4649 Ų4917%0.17427%0.267CS..  trans-60.7122.7-177-158.7-41.4000110.6R37 V85 M86 M94 Y95 L172R37-W89 PolarHBondContact NE-O 2.83Å; R37-W89 PolarHBondContact NH2-O 2.87Å; V85-W89 HydrophobicContact CG1-CE3 4.38Å; V85-W89 PolarHBondContact O-N 2.71Å; M86-W89 HydrophobicContact SD-CE3 3.95Å; M86-W89 HydrophobicContact SD-CZ3 4.36Å; W89-M94 HydrophobicContact CZ2-CB 4.21Å; W89-Y95 HydrophobicContact CB-CD2 3.88Å; W89-Y95 HydrophobicContact CB-CE2 4.35Å; W89-Y95 HydrophobicContact CD2-CD2 4.43Å; W89-Y95 AromaticContact CG-CD2 3.89Å; W89-Y95 HydrophobicContact CG-CD2 3.89Å; W89-L172 HydrophobicContact CH2-CD2 3.81Å; W89-L172 HydrophobicContact CZ3-CD2 3.81Å
90P81.1Confident85.1Confident78 Ų7851.2 Ų51.251%0.50628%0.277SS..  trans-61.5159177.325.9-35.6000112.2G92 Y95 E183P90-G92 VanDerWaalsContact C-N 3.26Å; P90-G92 PolarHBondContact O-N 3.19Å; P90-Y95 WeakPolarHBondContact O-CB 3.2Å; P90-E183 HydrophobicContact CG-CG 4.24Å
91D78.3Confident84.8Confident93 Ų9351.8 Ų51.850%0.49728%0.277SS..SBendtrans-76.178.5179.1-160.11.6000111.1R37 Q96R37-D91 HydrophobicContact CG-CB 4.18Å; D91-Q96 PolarHBondContact OD1-NE2 3.06Å
92G79.7Confident84.6Confident19 Ų1946.1 Ų46.120%0.19625%0.253CS..  trans-111.9172.3-178.800000113.2P90 M94 Y95 Q96P90-G92 VanDerWaalsContact C-N 3.26Å; P90-G92 PolarHBondContact O-N 3.19Å; G92-M94 VanDerWaalsContact C-N 3.26Å; G92-M94 PolarHBondContact O-N 3.43Å; G92-Y95 WeakPolarHBondContact O-CB 3.43Å; G92-Y95 PolarHBondContact O-N 2.95Å; G92-Y95 VanDerWaalsContact O-N 3.13Å; G92-Q96 PolarHBondContact O-N 3.13Å
93L80.1Confident84.4Confident96 Ų9642.1 Ų42.150%0.50323%0.232SC..Hα-helixtrans-58.4-38.4-178.5-179.960.4000112.2Q96 K97 Q180L93-Q96 PolarHBondContact O-N 3.4Å; L93-K97 WeakPolarHBondContact O-CG 3.48Å; L93-K97 PolarHBondContact O-N 3.1Å; L93-Q180 VanDerWaalsContact CD2-OE1 3.27Å
94M80.9Confident84.2Confident1 Ų143.1 Ų43.11%0.00524%0.239CC..Hα-helixtrans-73.5-33.3179.5-53.8-46.1161.900112.5W89 G92 K97 F98 L175 D178 Q180 C181W89-M94 HydrophobicContact CZ2-CB 4.21Å; G92-M94 VanDerWaalsContact C-N 3.26Å; G92-M94 PolarHBondContact O-N 3.43Å; M94-K97 PolarHBondContact O-N 3.06Å; M94-K97 HydrophobicContact SD-CD 3.71Å; M94-K97 PolarHBondContact SD-NZ 2.77Å; M94-F98 PolarHBondContact O-N 3.04Å; M94-F98 VanDerWaalsContact O-N 3.07Å; M94-L175 HydrophobicContact SD-CD2 3.86Å; M94-D178 HydrophobicContact CE-CB 3.97Å; M94-D178 VanDerWaalsContact CE-OD2 3.28Å; M94-D178 WeakPolarHBondContact CE-OD2 3.49Å; M94-D178 HydrophobicContact SD-CB 4.35Å; M94-Q180 HydrophobicContact CE-CB 3.52Å; M94-C181 HydrophobicContact CE-CB 4.25Å; M94-C181 HydrophobicContact CG-CB 3.92Å
95Y81.8Confident84.2Confident3 Ų343.5 Ų43.51%0.01223%0.234CC..Hα-helixtrans-59.7-50.4170.9178.4-99.9000110.4D40 M86 W89 P90 G92 K97 F98 R99D40-Y95 VanDerWaalsContact CB-OH 3.25Å; D40-Y95 WeakPolarHBondContact CB-OH 3.19Å; M86-Y95 HydrophobicContact CE-CD2 4.29Å; M86-Y95 HydrophobicContact CE-CE2 3.89Å; W89-Y95 HydrophobicContact CB-CD2 3.88Å; W89-Y95 HydrophobicContact CB-CE2 4.35Å; W89-Y95 HydrophobicContact CD2-CD2 4.43Å; W89-Y95 AromaticContact CG-CD2 3.89Å; W89-Y95 HydrophobicContact CG-CD2 3.89Å; P90-Y95 WeakPolarHBondContact O-CB 3.2Å; G92-Y95 WeakPolarHBondContact O-CB 3.43Å; G92-Y95 PolarHBondContact O-N 2.95Å; G92-Y95 VanDerWaalsContact O-N 3.13Å; Y95-K97 PolarHBondContact O-N 3.38Å; Y95-F98 PolarHBondContact O-N 2.76Å; Y95-R99 VanDerWaalsContact O-CB 3.27Å; Y95-R99 WeakPolarHBondContact O-CB 3.12Å; Y95-R99 PolarHBondContact O-N 2.65Å
96Q82.4Confident84Confident62 Ų6241.4 Ų41.429%0.2922%0.222SC..Hα-helixtrans-66.8-35.2-179.2-68-64.8-15.600113.3D91 G92 L93D91-Q96 PolarHBondContact OD1-NE2 3.06Å; G92-Q96 PolarHBondContact O-N 3.13Å; L93-Q96 PolarHBondContact O-N 3.4Å
97K82.6Confident83.9Confident88 Ų8843.2 Ų43.238%0.38323%0.231SC..Hα-helixtrans-57.3-48.4169.3-75177-172.8170.70111.2L93 M94 Y95 L175 D178L93-K97 WeakPolarHBondContact O-CG 3.48Å; L93-K97 PolarHBondContact O-N 3.1Å; M94-K97 PolarHBondContact O-N 3.06Å; M94-K97 HydrophobicContact SD-CD 3.71Å; M94-K97 PolarHBondContact SD-NZ 2.77Å; Y95-K97 PolarHBondContact O-N 3.38Å; K97-L175 HydrophobicContact CB-CD2 4.2Å; K97-L175 HydrophobicContact CD-CD2 3.58Å; K97-D178 IonicContact NZ-OD2 3.81Å; K97-D178 PolarHBondContact NZ-OD2 3.27Å
98F86.1Confident84Confident6 Ų642.6 Ų42.63%0.02623%0.225CC..Hα-helixtrans-81.9-30.2-175.4-171.9-114.9000114.5M86 M94 Y95 N100 Q101 F102 N168 T171 L172 L175M86-F98 HydrophobicContact CE-CD1 3.9Å; M86-F98 HydrophobicContact CE-CE1 4.21Å; M86-F98 HydrophobicContact SD-CD1 3.77Å; M86-F98 HydrophobicContact SD-CE1 3.81Å; M94-F98 PolarHBondContact O-N 3.04Å; M94-F98 VanDerWaalsContact O-N 3.07Å; Y95-F98 PolarHBondContact O-N 2.76Å; F98-N100 VanDerWaalsContact C-N 3.29Å; F98-N100 PolarHBondContact O-N 2.97Å; F98-N100 VanDerWaalsContact O-N 3.15Å; F98-Q101 HydrophobicContact CD2-CB 4.45Å; F98-Q101 WeakPolarHBondContact O-CA 3.45Å; F98-Q101 WeakPolarHBondContact O-CB 3.4Å; F98-Q101 PolarHBondContact O-N 3.45Å; F98-F102 HydrophobicContact CD1-CB 4.09Å; F98-F102 HydrophobicContact CE1-CB 3.82Å; F98-F102 HydrophobicContact CE1-CD2 4.04Å; F98-F102 HydrophobicContact CE1-CG 4.3Å; F98-F102 HydrophobicContact CZ-CB 4.32Å; F98-F102 PolarHBondContact O-N 2.83Å; F98-N168 HydrophobicContact CE2-CB 4.26Å; F98-N168 HydrophobicContact CZ-CB 4.3Å; F98-T171 HydrophobicContact CD2-CG2 4.16Å; F98-L172 HydrophobicContact CD1-CD2 3.82Å; F98-L172 HydrophobicContact CD2-CD2 3.99Å; F98-L172 HydrophobicContact CD2-CG 4.17Å; F98-L172 HydrophobicContact CE1-CD1 4.07Å; F98-L172 HydrophobicContact CE1-CD2 3.86Å; F98-L172 HydrophobicContact CE1-CG 4.16Å; F98-L172 HydrophobicContact CE2-CD1 4.21Å; F98-L172 HydrophobicContact CE2-CD2 4.03Å; F98-L172 HydrophobicContact CE2-CG 3.78Å; F98-L172 HydrophobicContact CG-CD2 3.89Å; F98-L172 HydrophobicContact CZ-CD1 3.72Å; F98-L172 HydrophobicContact CZ-CD2 3.97Å; F98-L172 HydrophobicContact CZ-CG 3.78Å; F98-L175 HydrophobicContact CB-CD1 3.94Å; F98-L175 HydrophobicContact CD2-CD1 4.46Å
99R82.9Confident84.1Confident8 Ų839 Ų393%0.0320%0.201CC..Hα-helixtrans-45.3-49.1-177.1178.3-174-177.6-85.5-13.6112.9C30 N35 D40 Y95 Q101 F102 L103C30-R99 PolarHBondContact O-NH2 3.35Å; N35-R99 PolarHBondContact OD1-NH1 3.08Å; D40-R99 VanDerWaalsContact CG-NE 3.33Å; D40-R99 IonicContact OD1-CZ 3.45Å; D40-R99 IonicContact OD1-NE 2.74Å; D40-R99 PolarHBondContact OD1-NE 2.8Å; D40-R99 IonicContact OD1-NH2 2.77Å; D40-R99 PolarHBondContact OD1-NH2 3.21Å; D40-R99 IonicContact OD2-CZ 2.7Å; D40-R99 IonicContact OD2-NE 3.41Å; D40-R99 PolarHBondContact OD2-NE 3.35Å; D40-R99 IonicContact OD2-NH2 2.9Å; D40-R99 PolarHBondContact OD2-NH2 2.91Å; Y95-R99 VanDerWaalsContact O-CB 3.27Å; Y95-R99 WeakPolarHBondContact O-CB 3.12Å; Y95-R99 PolarHBondContact O-N 2.65Å; R99-Q101 VanDerWaalsContact C-N 3.34Å; R99-Q101 PolarHBondContact O-N 2.78Å; R99-F102 PolarHBondContact O-N 2.86Å; R99-L103 HydrophobicContact CG-CD1 4.09Å; R99-L103 WeakPolarHBondContact O-CG 3.49Å; R99-L103 PolarHBondContact O-N 2.94Å
100N84.3Confident84.2Confident71 Ų7137 Ų3738%0.3819%0.193SC..Hα-helixtrans-64.5-36.9-178.1-78.5-61.7000113.1R31 F98 S104R31-N100 PolarHBondContact NH1-OD1 3.34Å; F98-N100 VanDerWaalsContact C-N 3.29Å; F98-N100 PolarHBondContact O-N 2.97Å; F98-N100 VanDerWaalsContact O-N 3.15Å; N100-S104 WeakPolarHBondContact O-CB 3.3Å; N100-S104 PolarHBondContact O-N 3.24Å; N100-S104 PolarHBondContact O-OG 2.87Å
101Q86.8Confident84.5Confident37 Ų3737.7 Ų37.717%0.17319%0.189CC..Hα-helixtrans-75.3-41.2178.2-174.9174-33.700111.1F98 R99 S104 F105 F167 N168 T171F98-Q101 HydrophobicContact CD2-CB 4.45Å; F98-Q101 WeakPolarHBondContact O-CA 3.45Å; F98-Q101 WeakPolarHBondContact O-CB 3.4Å; F98-Q101 PolarHBondContact O-N 3.45Å; R99-Q101 VanDerWaalsContact C-N 3.34Å; R99-Q101 PolarHBondContact O-N 2.78Å; Q101-S104 PolarHBondContact O-N 3.14Å; Q101-F105 WeakPolarHBondContact O-CB 3.37Å; Q101-F105 PolarHBondContact O-N 3.07Å; Q101-F167 VanDerWaalsContact NE2-CE1 3.29Å; Q101-N168 WeakPolarHBondContact CG-OD1 3.32Å; Q101-N168 PolarHBondContact NE2-OD1 3.04Å; Q101-T171 PolarHBondContact NE2-OG1 2.89Å
102F86.5Confident85Confident21 Ų2133.8 Ų33.89%0.09217%0.168CC..Hα-helixtrans-60.2-51.6173.7180-101000112.3F43 N44 L47 M86 F98 R99 S104 F105 S106F43-F102 HydrophobicContact CD1-CE1 4.48Å; F43-F102 HydrophobicContact CE1-CE1 4.11Å; N44-F102 VanDerWaalsContact OD1-CE1 3.22Å; N44-F102 WeakPolarHBondContact OD1-CE1 3.45Å; N44-F102 VanDerWaalsContact OD1-CZ 3.28Å; N44-F102 WeakPolarHBondContact OD1-CZ 3.38Å; L47-F102 HydrophobicContact CD1-CE1 4.2Å; L47-F102 HydrophobicContact CD1-CZ 3.87Å; M86-F102 HydrophobicContact CB-CZ 4.42Å; M86-F102 HydrophobicContact CE-CB 4.17Å; M86-F102 HydrophobicContact CE-CD1 4.01Å; M86-F102 HydrophobicContact CE-CD2 4.32Å; M86-F102 HydrophobicContact CE-CE1 4.5Å; M86-F102 HydrophobicContact CE-CG 3.91Å; M86-F102 HydrophobicContact CG-CD2 4.22Å; M86-F102 HydrophobicContact CG-CE2 3.95Å; M86-F102 HydrophobicContact CG-CZ 4.15Å; F98-F102 HydrophobicContact CD1-CB 4.09Å; F98-F102 HydrophobicContact CE1-CB 3.82Å; F98-F102 HydrophobicContact CE1-CD2 4.04Å; F98-F102 HydrophobicContact CE1-CG 4.3Å; F98-F102 HydrophobicContact CZ-CB 4.32Å; F98-F102 PolarHBondContact O-N 2.83Å; R99-F102 PolarHBondContact O-N 2.86Å; F102-S104 VanDerWaalsContact C-N 3.3Å; F102-S104 PolarHBondContact O-N 3.5Å; F102-F105 PolarHBondContact O-N 3.27Å; F102-F105 VanDerWaalsContact O-N 3.16Å; F102-S106 PolarHBondContact O-N 2.98Å; F102-S106 PolarHBondContact O-OG 3.25Å; F102-S106 VanDerWaalsContact O-OG 3.1Å
103L84.9Confident85.3Confident3 Ų333.4 Ų33.42%0.01616%0.161CC..Hα-helixtrans-59.6-39.9178-71.9172.8000112.2C30 F43 R99 S106 M107C30-L103 HydrophobicContact CB-CD1 4.4Å; C30-L103 HydrophobicContact CB-CD2 4.14Å; F43-L103 HydrophobicContact CD1-CD2 3.99Å; F43-L103 HydrophobicContact CE1-CD2 3.95Å; R99-L103 HydrophobicContact CG-CD1 4.09Å; R99-L103 WeakPolarHBondContact O-CG 3.49Å; R99-L103 PolarHBondContact O-N 2.94Å; L103-S106 PolarHBondContact O-N 3.11Å; L103-M107 WeakPolarHBondContact O-CG 3.4Å; L103-M107 PolarHBondContact O-N 3.22Å
104S86Confident85.5Confident28 Ų2832.8 Ų32.820%0.19616%0.155CC..Hα-helixtrans-64.6-42.2176.3-56.80000111.9N100 Q101 F102 Y108N100-S104 WeakPolarHBondContact O-CB 3.3Å; N100-S104 PolarHBondContact O-N 3.24Å; N100-S104 PolarHBondContact O-OG 2.87Å; Q101-S104 PolarHBondContact O-N 3.14Å; F102-S104 VanDerWaalsContact C-N 3.3Å; F102-S104 PolarHBondContact O-N 3.5Å; S104-Y108 PolarHBondContact O-N 3.22Å; S104-Y108 VanDerWaalsContact O-N 3.1Å
105F88.6Confident85.7Confident30 Ų3034.2 Ų34.213%0.13216%0.162CC..Hα-helixtrans-65.3-38.7174.1176.7-104.3000112.7Q101 F102 Y108 Q109 W164 Q165 N168Q101-F105 WeakPolarHBondContact O-CB 3.37Å; Q101-F105 PolarHBondContact O-N 3.07Å; F102-F105 PolarHBondContact O-N 3.27Å; F102-F105 VanDerWaalsContact O-N 3.16Å; F105-Y108 WeakPolarHBondContact O-CB 3.46Å; F105-Y108 PolarHBondContact O-N 3.2Å; F105-Q109 PolarHBondContact O-N 3.05Å; F105-W164 HydrophobicContact CD2-CB 3.96Å; F105-W164 AromaticContact CD2-CD1 3.55Å; F105-W164 HydrophobicContact CD2-CD2 4.3Å; F105-W164 AromaticContact CD2-CG 3.67Å; F105-W164 HydrophobicContact CD2-CG 3.67Å; F105-W164 HydrophobicContact CE2-CB 4.12Å; F105-W164 HydrophobicContact CE2-CG 4.33Å; F105-Q165 HydrophobicContact CE1-CG 4.46Å; F105-Q165 HydrophobicContact CE2-CG 3.86Å; F105-Q165 HydrophobicContact CZ-CG 3.47Å; F105-Q165 VanDerWaalsContact CZ-CG 3.47Å; F105-N168 WeakPolarHBondContact CG-ND2 3.32Å
106S86Confident85.8Confident9 Ų934.9 Ų34.96%0.06317%0.166CC..Hα-helixtrans-68-37.4178.6-61.70000113F102 L103 S110F102-S106 PolarHBondContact O-N 2.98Å; F102-S106 PolarHBondContact O-OG 3.25Å; F102-S106 VanDerWaalsContact O-OG 3.1Å; L103-S106 PolarHBondContact O-N 3.11Å; S106-S110 WeakPolarHBondContact O-CB 3.38Å; S106-S110 PolarHBondContact O-N 3.31Å; S106-S110 PolarHBondContact O-OG 2.89Å
107M85.5Confident85.8Confident48 Ų4834 Ų3424%0.23616%0.16CC..Hα-helixtrans-61.1-45.4168.6-70-172.3-61.500111.2L103 S110 F111L103-M107 WeakPolarHBondContact O-CG 3.4Å; L103-M107 PolarHBondContact O-N 3.22Å; M107-S110 PolarHBondContact O-N 2.96Å; M107-F111 PolarHBondContact O-N 3.25Å
108Y89Confident85.6Confident37 Ų3735.1 Ų35.115%0.14516%0.162CC..Hα-helixtrans-62.3-46.1178.1-178.4-93.7000112.5S104 F105 S110 F111 V112 F157 F160S104-Y108 PolarHBondContact O-N 3.22Å; S104-Y108 VanDerWaalsContact O-N 3.1Å; F105-Y108 WeakPolarHBondContact O-CB 3.46Å; F105-Y108 PolarHBondContact O-N 3.2Å; Y108-S110 VanDerWaalsContact C-N 3.3Å; Y108-S110 PolarHBondContact O-N 2.78Å; Y108-F111 WeakPolarHBondContact O-CB 3.48Å; Y108-F111 PolarHBondContact O-N 3.44Å; Y108-V112 HydrophobicContact CD1-CG2 4.12Å; Y108-V112 HydrophobicContact CE1-CG2 3.42Å; Y108-V112 VanDerWaalsContact CE1-CG2 3.42Å; Y108-V112 HydrophobicContact CE2-CG2 4.22Å; Y108-V112 VanDerWaalsContact CZ-CG2 3.46Å; Y108-V112 PolarHBondContact O-N 2.85Å; Y108-F157 WeakPolarHBondContact OH-CA 3.25Å; Y108-F157 PolarHBondContact OH-O 3.32Å; Y108-F160 HydrophobicContact CD2-CE1 4.45Å; Y108-F160 HydrophobicContact CE1-CD1 4.1Å; Y108-F160 AromaticContact CE2-CD1 3.84Å; Y108-F160 HydrophobicContact CE2-CD1 3.84Å; Y108-F160 HydrophobicContact CE2-CE1 4.04Å; Y108-F160 AromaticContact CZ-CD1 3.58Å
109Q88.8Confident85.3Confident36 Ų3637.9 Ų37.917%0.16817%0.173CC..Hα-helixtrans-59.6-44.1177.1-164.6-70.8-32.300110.3Y51 F105 F111 V112 Q113Y51-Q109 PolarHBondContact OH-OE1 3.3Å; F105-Q109 PolarHBondContact O-N 3.05Å; Q109-F111 VanDerWaalsContact C-N 3.33Å; Q109-F111 PolarHBondContact O-N 3.43Å; Q109-V112 CarbonylContact O-C 3.6Å; Q109-V112 PolarHBondContact O-N 3.16Å; Q109-V112 VanDerWaalsContact O-N 3.16Å; Q109-Q113 VanDerWaalsContact NE2-OE1 3.08Å; Q109-Q113 WeakPolarHBondContact O-CB 2.96Å; Q109-Q113 PolarHBondContact O-N 3Å
110S86.6Confident84.8Confident2 Ų241 Ų411%0.01419%0.188CC..Hα-helixtrans-62.8-38.6178.2-540000112.1T20 I24 S106 M107 Y108 Q113 F114T20-S110 WeakPolarHBondContact CG2-O 3.43Å; I24-S110 VanDerWaalsContact CG1-CB 3.47Å; S106-S110 WeakPolarHBondContact O-CB 3.38Å; S106-S110 PolarHBondContact O-N 3.31Å; S106-S110 PolarHBondContact O-OG 2.89Å; M107-S110 PolarHBondContact O-N 2.96Å; Y108-S110 VanDerWaalsContact C-N 3.3Å; Y108-S110 PolarHBondContact O-N 2.78Å; S110-Q113 WeakPolarHBondContact O-CB 3.42Å; S110-Q113 PolarHBondContact O-N 3.41Å; S110-F114 PolarHBondContact O-N 2.81Å
111F86.1Confident84.5Confident94 Ų9439.1 Ų39.141%0.41218%0.181SC..Hα-helixtrans-62.8-45172.2173.4-102.9000112.2M107 Y108 Q109 Q113 F114 L115 F157M107-F111 PolarHBondContact O-N 3.25Å; Y108-F111 WeakPolarHBondContact O-CB 3.48Å; Y108-F111 PolarHBondContact O-N 3.44Å; Q109-F111 VanDerWaalsContact C-N 3.33Å; Q109-F111 PolarHBondContact O-N 3.43Å; F111-Q113 VanDerWaalsContact C-N 3.3Å; F111-Q113 PolarHBondContact O-N 3.34Å; F111-F114 WeakPolarHBondContact O-CB 3.48Å; F111-F114 PolarHBondContact O-N 3.17Å; F111-L115 HydrophobicContact CD1-CD1 4.28Å; F111-L115 HydrophobicContact CE1-CD1 3.62Å; F111-L115 HydrophobicContact CE1-CG 4.3Å; F111-L115 HydrophobicContact CZ-CD1 3.81Å; F111-L115 HydrophobicContact CZ-CD2 4.37Å; F111-L115 HydrophobicContact CZ-CG 4.2Å; F111-L115 PolarHBondContact O-N 2.75Å; F111-L115 VanDerWaalsContact O-N 3.11Å; F111-F157 HydrophobicContact CE1-CD1 4.22Å; F111-F157 HydrophobicContact CE1-CE1 4.13Å
112V88.9Confident83.9Confident10 Ų1038.1 Ų38.16%0.06118%0.18CC..Hα-helixtrans-63.7-37.1174.5176.10000111.4Y108 Q109 F114 L115 Q116 F157 L158Y108-V112 HydrophobicContact CD1-CG2 4.12Å; Y108-V112 HydrophobicContact CE1-CG2 3.42Å; Y108-V112 VanDerWaalsContact CE1-CG2 3.42Å; Y108-V112 HydrophobicContact CE2-CG2 4.22Å; Y108-V112 VanDerWaalsContact CZ-CG2 3.46Å; Y108-V112 PolarHBondContact O-N 2.85Å; Q109-V112 CarbonylContact O-C 3.6Å; Q109-V112 PolarHBondContact O-N 3.16Å; Q109-V112 VanDerWaalsContact O-N 3.16Å; V112-F114 VanDerWaalsContact C-N 3.31Å; V112-F114 PolarHBondContact O-N 2.97Å; V112-L115 PolarHBondContact O-N 3.41Å; V112-Q116 HydrophobicContact CG1-CG 4.28Å; V112-Q116 WeakPolarHBondContact O-CB 3.21Å; V112-Q116 VanDerWaalsContact O-CG 3.3Å; V112-Q116 WeakPolarHBondContact O-CG 3.43Å; V112-Q116 PolarHBondContact O-N 3.21Å; V112-F157 HydrophobicContact CG2-CB 4.11Å; V112-L158 HydrophobicContact CG1-CD1 3.76Å
113Q86.8Confident83.4Confident11 Ų1138.4 Ų38.45%0.05118%0.184CC..Hα-helixtrans-62-38.9176.6-166.66368.500111.7T20 Q109 S110 F111 Q116 Y117T20-Q113 HydrophobicContact CG2-CB 4.09Å; T20-Q113 HydrophobicContact CG2-CG 4.38Å; T20-Q113 WeakPolarHBondContact OG1-CG 3.25Å; Q109-Q113 VanDerWaalsContact NE2-OE1 3.08Å; Q109-Q113 WeakPolarHBondContact O-CB 2.96Å; Q109-Q113 PolarHBondContact O-N 3Å; S110-Q113 WeakPolarHBondContact O-CB 3.42Å; S110-Q113 PolarHBondContact O-N 3.41Å; F111-Q113 VanDerWaalsContact C-N 3.3Å; F111-Q113 PolarHBondContact O-N 3.34Å; Q113-Q116 PolarHBondContact O-N 2.66Å; Q113-Y117 WeakPolarHBondContact O-CB 3.07Å; Q113-Y117 PolarHBondContact O-N 3.38Å
114F84.1Confident82.7Confident84 Ų8439.5 Ų39.537%0.36819%0.19SC..Hα-helixtrans-65.1-45.5173.3177.4-94.9000112.1L17 T20 S110 F111 V112 Q116 Y117 Y118L17-F114 HydrophobicContact CD1-CD2 3.68Å; L17-F114 HydrophobicContact CD1-CE2 3.79Å; T20-F114 HydrophobicContact CG2-CB 4.18Å; S110-F114 PolarHBondContact O-N 2.81Å; F111-F114 WeakPolarHBondContact O-CB 3.48Å; F111-F114 PolarHBondContact O-N 3.17Å; V112-F114 VanDerWaalsContact C-N 3.31Å; V112-F114 PolarHBondContact O-N 2.97Å; F114-Q116 PolarHBondContact O-N 3.5Å; F114-Y117 PolarHBondContact O-N 3.05Å; F114-Y118 PolarHBondContact O-N 3.26Å
115L84.8Confident82Confident31 Ų3146.2 Ų46.216%0.16221%0.212CC..Hα-helixtrans-62.5-41.3175.1-64.5-178.5000112.1F111 V112 Y118 Y119 L154 F157F111-L115 HydrophobicContact CD1-CD1 4.28Å; F111-L115 HydrophobicContact CE1-CD1 3.62Å; F111-L115 HydrophobicContact CE1-CG 4.3Å; F111-L115 HydrophobicContact CZ-CD1 3.81Å; F111-L115 HydrophobicContact CZ-CD2 4.37Å; F111-L115 HydrophobicContact CZ-CG 4.2Å; F111-L115 PolarHBondContact O-N 2.75Å; F111-L115 VanDerWaalsContact O-N 3.11Å; V112-L115 PolarHBondContact O-N 3.41Å; L115-Y118 PolarHBondContact O-N 3.46Å; L115-Y119 WeakPolarHBondContact O-CB 3.45Å; L115-Y119 PolarHBondContact O-N 2.9Å; L115-L154 HydrophobicContact CB-CD1 3.83Å; L115-F157 HydrophobicContact CD1-CD1 4.38Å; L115-F157 HydrophobicContact CD1-CD2 4.14Å; L115-F157 HydrophobicContact CD1-CE2 4.31Å; L115-F157 HydrophobicContact CD1-CG 4.18Å
116Q84.7Confident81.2Confident17 Ų1750.8 Ų50.88%0.07923%0.229CC..Hα-helixtrans-61.3-44.3174.3-74.2-179.41.800111.7V112 Q113 F114 Y119 Q120 L154 L158V112-Q116 HydrophobicContact CG1-CG 4.28Å; V112-Q116 WeakPolarHBondContact O-CB 3.21Å; V112-Q116 VanDerWaalsContact O-CG 3.3Å; V112-Q116 WeakPolarHBondContact O-CG 3.43Å; V112-Q116 PolarHBondContact O-N 3.21Å; Q113-Q116 PolarHBondContact O-N 2.66Å; F114-Q116 PolarHBondContact O-N 3.5Å; Q116-Y119 PolarHBondContact O-N 3.02Å; Q116-Q120 WeakPolarHBondContact O-CB 3.38Å; Q116-Q120 WeakPolarHBondContact O-CG 3.23Å; Q116-Q120 PolarHBondContact O-N 3.14Å; Q116-L154 HydrophobicContact CG-CD1 4.1Å; Q116-L154 HydrophobicContact CG-CD2 4.14Å; Q116-L158 HydrophobicContact CG-CD1 4.39Å
117Y81.6Confident80.4Confident43 Ų4356.1 Ų56.117%0.16926%0.256CS..Hα-helixtrans-60.8-45.8175.5162.6-93.4000112E13 L17 Q113 F114 Y119 Q120 S121E13-Y117 HydrophobicContact CB-CD2 4.29Å; E13-Y117 HydrophobicContact CB-CE2 3.91Å; E13-Y117 WeakPolarHBondContact O-CD2 3.01Å; E13-Y117 WeakPolarHBondContact O-CE2 3.32Å; L17-Y117 HydrophobicContact CB-CD1 4.33Å; L17-Y117 HydrophobicContact CB-CD2 4.24Å; L17-Y117 HydrophobicContact CB-CE1 4.09Å; L17-Y117 HydrophobicContact CB-CE2 3.96Å; L17-Y117 HydrophobicContact CB-CG 4.41Å; L17-Y117 HydrophobicContact CD1-CD1 3.98Å; L17-Y117 HydrophobicContact CD1-CE1 3.93Å; L17-Y117 HydrophobicContact CD2-CE1 3.75Å; L17-Y117 HydrophobicContact CG-CE1 4.13Å; Q113-Y117 WeakPolarHBondContact O-CB 3.07Å; Q113-Y117 PolarHBondContact O-N 3.38Å; F114-Y117 PolarHBondContact O-N 3.05Å; Y117-Y119 PolarHBondContact O-N 2.92Å; Y117-Q120 PolarHBondContact O-N 3.04Å; Y117-S121 VanDerWaalsContact CE2-OG 3.29Å; Y117-S121 WeakPolarHBondContact CE2-OG 3.41Å; Y117-S121 VanDerWaalsContact O-CB 3.25Å; Y117-S121 WeakPolarHBondContact O-CB 3.34Å; Y117-S121 PolarHBondContact O-N 3.34Å; Y117-S121 PolarHBondContact O-OG 3.42Å
118Y79.4Confident79.7Confident111 Ų11158.3 Ų58.344%0.43526%0.261SS..Hα-helixtrans-61.6-45.4179.3-166.3-92.1000111.3F114 L115 G122 W146F114-Y118 PolarHBondContact O-N 3.26Å; L115-Y118 PolarHBondContact O-N 3.46Å; Y118-G122 PolarHBondContact O-N 3.48Å; Y118-W146 PolarHBondContact OH-NE1 3.4Å
119Y78.4Confident78.9Confident65 Ų6558.4 Ų58.426%0.25527%0.27SS..Hα-helixtrans-62.3-44.7175.3173.2-107.7000113L115 Q116 Y117 C123 M147 L154L115-Y119 WeakPolarHBondContact O-CB 3.45Å; L115-Y119 PolarHBondContact O-N 2.9Å; Q116-Y119 PolarHBondContact O-N 3.02Å; Y117-Y119 PolarHBondContact O-N 2.92Å; Y119-C123 WeakPolarHBondContact O-CB 3.35Å; Y119-C123 PolarHBondContact O-N 3.39Å; Y119-C123 VanDerWaalsContact O-N 3.1Å; Y119-C123 PolarHBondContact O-SG 2.65Å; Y119-M147 HydrophobicContact CD2-CE 4.32Å; Y119-L154 HydrophobicContact CD1-CD2 3.75Å; Y119-L154 HydrophobicContact CG-CD2 3.96Å
120Q73.9Confident78Confident73 Ų7363 Ų6334%0.34130%0.295SS..Hα-helixtrans-65.5-45.2179.1-74.2171.514.700111.5Q116 Y117 C123 L124Q116-Q120 WeakPolarHBondContact O-CB 3.38Å; Q116-Q120 WeakPolarHBondContact O-CG 3.23Å; Q116-Q120 PolarHBondContact O-N 3.14Å; Y117-Q120 PolarHBondContact O-N 3.04Å; Q120-C123 PolarHBondContact O-N 3.42Å; Q120-L124 WeakPolarHBondContact O-CB 3.26Å; Q120-L124 PolarHBondContact O-N 3.24Å
121S76.6Confident77.1Confident32 Ų3266 Ų6622%0.22433%0.326CS..Hα-helixtrans-61.7-47.5176.8-66.10000112.2Y117 C123 L124 Y125Y117-S121 VanDerWaalsContact CE2-OG 3.29Å; Y117-S121 WeakPolarHBondContact CE2-OG 3.41Å; Y117-S121 VanDerWaalsContact O-CB 3.25Å; Y117-S121 WeakPolarHBondContact O-CB 3.34Å; Y117-S121 PolarHBondContact O-N 3.34Å; Y117-S121 PolarHBondContact O-OG 3.42Å; S121-C123 VanDerWaalsContact C-N 3.3Å; S121-C123 PolarHBondContact O-N 3.46Å; S121-L124 PolarHBondContact O-N 2.89Å; S121-Y125 WeakPolarHBondContact O-CB 3.37Å; S121-Y125 PolarHBondContact O-N 3.45Å
122G74.1Confident75.8Confident16 Ų1669.3 Ų69.317%0.16534%0.343CS..Hα-helixtrans-62.9-33.5177.100000113.5Y118 R126Y118-G122 PolarHBondContact O-N 3.48Å; G122-R126 PolarHBondContact O-N 2.86Å
123C76Confident73.8Confident26 Ų2675.2 Ų75.218%0.17636%0.364CS..Hα-helixtrans-72.4-38.5173.3-67.40000112.6Y119 Q120 S121 R126 L127Y119-C123 WeakPolarHBondContact O-CB 3.35Å; Y119-C123 PolarHBondContact O-N 3.39Å; Y119-C123 VanDerWaalsContact O-N 3.1Å; Y119-C123 PolarHBondContact O-SG 2.65Å; Q120-C123 PolarHBondContact O-N 3.42Å; S121-C123 VanDerWaalsContact C-N 3.3Å; S121-C123 PolarHBondContact O-N 3.46Å; C123-R126 PolarHBondContact O-N 3.27Å; C123-R126 PolarHBondContact SG-NH2 3.34Å; C123-R126 VanDerWaalsContact SG-NH2 3.36Å; C123-L127 WeakPolarHBondContact O-CG 3.46Å; C123-L127 PolarHBondContact O-N 2.93Å; C123-L127 VanDerWaalsContact O-N 3.09Å
124L71Confident71.9Confident27 Ų2782.8 Ų82.814%0.14140%0.399CS..Hα-helixtrans-66.4-42.5176.7-174.761.6000111.7K9 D10 Q120 S121 L127 R128K9-L124 HydrophobicContact CD-CD1 4.38Å; K9-L124 HydrophobicContact CD-CD2 4.15Å; K9-L124 HydrophobicContact CG-CD2 4.32Å; D10-L124 WeakPolarHBondContact OD1-CD2 3.48Å; Q120-L124 WeakPolarHBondContact O-CB 3.26Å; Q120-L124 PolarHBondContact O-N 3.24Å; S121-L124 PolarHBondContact O-N 2.89Å; L124-L127 PolarHBondContact O-N 3.34Å; L124-R128 PolarHBondContact O-N 3.34Å
125Y70.6Confident70.3Confident169 Ų16984.9 Ų84.966%0.66342%0.419SS*.Hα-helixtrans-59.1-47.3174.5178-98.5000111.8S121 L127 R128 A129S121-Y125 WeakPolarHBondContact O-CB 3.37Å; S121-Y125 PolarHBondContact O-N 3.45Å; Y125-L127 PolarHBondContact O-N 2.94Å; Y125-R128 WeakPolarHBondContact O-CB 3.38Å; Y125-R128 PolarHBondContact O-N 2.81Å; Y125-R128 VanDerWaalsContact O-N 3.15Å; Y125-A129 PolarHBondContact O-N 3.04Å
126R72.2Confident68.7Low126 Ų12690 Ų9048%0.47544%0.444SS..Hα-helixtrans-61.7-40.4177.2-176.417160.4-98.4-4.3112.5G122 C123 R128 A129 L130G122-R126 PolarHBondContact O-N 2.86Å; C123-R126 PolarHBondContact O-N 3.27Å; C123-R126 PolarHBondContact SG-NH2 3.34Å; C123-R126 VanDerWaalsContact SG-NH2 3.36Å; R126-R128 VanDerWaalsContact C-N 3.34Å; R126-A129 PolarHBondContact O-N 2.91Å; R126-L130 HydrophobicContact CG-CD1 4Å; R126-L130 HydrophobicContact CG-CG 4.48Å; R126-L130 WeakPolarHBondContact O-CB 3.42Å; R126-L130 VanDerWaalsContact O-CG 3.26Å; R126-L130 WeakPolarHBondContact O-CG 3.49Å; R126-L130 PolarHBondContact O-N 2.93Å
127L70Confident67.2Low121 Ų12195.7 Ų95.763%0.63448%0.475SS*.Hα-helixtrans-66-34.7175-73.1170.4000112.7C123 L124 Y125 G131C123-L127 WeakPolarHBondContact O-CG 3.46Å; C123-L127 PolarHBondContact O-N 2.93Å; C123-L127 VanDerWaalsContact O-N 3.09Å; L124-L127 PolarHBondContact O-N 3.34Å; Y125-L127 PolarHBondContact O-N 2.94Å; L127-G131 PolarHBondContact O-N 3.47Å
128R70.8Confident66Low93 Ų9399.4 Ų99.435%0.35150%0.497SS..Hα-helixtrans-67.3-49.1174.5-170.7174.8-65.7167.72.9111D10 L124 Y125 R126 L130 G131 E132D10-R128 IonicContact OD1-CZ 3.92Å; D10-R128 IonicContact OD1-NH1 3.28Å; D10-R128 IonicContact OD1-NH2 2.9Å; D10-R128 PolarHBondContact OD1-NH2 3.47Å; D10-R128 IonicContact OD2-CZ 3.8Å; D10-R128 VanDerWaalsContact OD2-CZ 3.28Å; D10-R128 IonicContact OD2-NH1 3.74Å; D10-R128 PolarHBondContact OD2-NH1 3.1Å; D10-R128 IonicContact OD2-NH2 2.75Å; D10-R128 PolarHBondContact OD2-NH2 2.77Å; L124-R128 PolarHBondContact O-N 3.34Å; Y125-R128 WeakPolarHBondContact O-CB 3.38Å; Y125-R128 PolarHBondContact O-N 2.81Å; Y125-R128 VanDerWaalsContact O-N 3.15Å; R126-R128 VanDerWaalsContact C-N 3.34Å; R128-L130 PolarHBondContact O-N 3.13Å; R128-G131 PolarHBondContact O-N 3.36Å; R128-E132 PolarHBondContact O-N 3.11Å
129A70.5Confident65Low39 Ų39100.4 Ų100.432%0.32252%0.515SS..Hα-helixtrans-61.4-39.4177.700000113.1Y125 R126 G131 E132 R133Y125-A129 PolarHBondContact O-N 3.04Å; R126-A129 PolarHBondContact O-N 2.91Å; A129-G131 VanDerWaalsContact C-N 3.26Å; A129-G131 PolarHBondContact O-N 3.34Å; A129-E132 PolarHBondContact O-N 2.84Å; A129-R133 PolarHBondContact O-N 2.86Å
130L70.9Confident63.6Low132 Ų132101.8 Ų101.869%0.69153%0.53SS*.Hα-helixtrans-69.6-21173.7-71.8170000113.4R126 R128R126-L130 HydrophobicContact CG-CD1 4Å; R126-L130 HydrophobicContact CG-CG 4.48Å; R126-L130 WeakPolarHBondContact O-CB 3.42Å; R126-L130 VanDerWaalsContact O-CG 3.26Å; R126-L130 WeakPolarHBondContact O-CG 3.49Å; R126-L130 PolarHBondContact O-N 2.93Å; R128-L130 PolarHBondContact O-N 3.13Å
131G67.9Low62.8Low65 Ų65106.4 Ų106.467%0.6755%0.551SS**Hα-helixtrans-85-14.2177.300000114.8L127 R128 A129L127-G131 PolarHBondContact O-N 3.47Å; R128-G131 PolarHBondContact O-N 3.36Å; A129-G131 VanDerWaalsContact C-N 3.26Å; A129-G131 PolarHBondContact O-N 3.34Å
132E59Low61.6Low165 Ų165108 Ų10877%0.77157%0.573SS**Hα-helixtrans-123.4-4.3-173.2-66.8-174.5166.500114.3R128 A129R128-E132 PolarHBondContact O-N 3.11Å; A129-E132 PolarHBondContact O-N 2.84Å
133R45.7Very low60.2Low133 Ų133112.2 Ų112.250%0.50259%0.587SS.*  trans-97.1122.4178.7-102.8-176.1165.2-156.1-13.1113.7A129 M136A129-R133 PolarHBondContact O-N 2.86Å; R133-M136 VanDerWaalsContact CZ-O 3.26Å; R133-M136 PolarHBondContact NH1-O 3.33Å
134H48.2Very low58.5Low171 Ų171116.8 Ų116.879%0.79261%0.606SS**  trans-70.6161.8142.6-141.3-79.1000109.5M136H134-M136 PolarHBondContact O-N 2.94Å
135T49.9Very low57.5Low127 Ų127119 Ų11978%0.77962%0.623SS**SBendtrans-42.9113.217846.60000114.5
136M52.1Low56.6Low138 Ų138117.3 Ų117.368%0.6862%0.616SS**  trans-156.8124.3162.2-173.5170.7-74.800108.9R133 H134R133-M136 VanDerWaalsContact CZ-O 3.26Å; R133-M136 PolarHBondContact NH1-O 3.33Å; H134-M136 PolarHBondContact O-N 2.94Å
137D53.3Low55.4Low138 Ų138114 Ų11474%0.73861%0.607SS**  trans-66.6166.2-172.3-71.7-74.4000114.6
138L55.1Low54.3Low121 Ų121117.9 Ų117.963%0.63461%0.613SS**  trans-150.662.6169.9-128.9170.2000109.9V140L138-V140 VanDerWaalsContact C-N 3.29Å; L138-V140 HydrophobicContact CD2-CB 4.45Å; L138-V140 HydrophobicContact CD2-CG2 4.03Å; L138-V140 PolarHBondContact O-N 2.86Å
139T58.3Low53.6Low132 Ų132122.9 Ų122.981%0.8163%0.632SS**  trans-71.477.9176.849.90000111.1
140V50Low53.3Low94 Ų94121.6 Ų121.657%0.5762%0.622SS**  trans-133.4117.6171178.60000108.9L138 G142L138-V140 VanDerWaalsContact C-N 3.29Å; L138-V140 HydrophobicContact CD2-CB 4.45Å; L138-V140 HydrophobicContact CD2-CG2 4.03Å; L138-V140 PolarHBondContact O-N 2.86Å; V140-G142 VanDerWaalsContact C-N 3.28Å; V140-G142 PolarHBondContact O-N 2.9Å
141E57.4Low53.1Low170 Ų170120 Ų12079%0.79461%0.614SS**G310 helixtrans-74.1-15.2-175.4-63.9-168.4126.800114.3F143 Q144E141-F143 PolarHBondContact O-N 3.32Å; E141-Q144 PolarHBondContact O-N 2.97Å
142G49.9Very low53.6Low66 Ų66120.9 Ų120.968%0.6861%0.607SS**G310 helixtrans-56-18.1-168.500000117.1V140V140-G142 VanDerWaalsContact C-N 3.28Å; V140-G142 PolarHBondContact O-N 2.9Å
143F44.9Very low54.7Low103 Ų103118 Ų11845%0.45259%0.592SS.*G310 helixtrans-141.830.7161.2-145.2-81.1000113.1E141 S145 W146 M147E141-F143 PolarHBondContact O-N 3.32Å; F143-S145 PolarHBondContact O-N 3.47Å; F143-W146 HydrophobicContact CB-CB 3.67Å; F143-W146 HydrophobicContact CB-CD2 4.25Å; F143-W146 HydrophobicContact CB-CG 3.52Å; F143-W146 HydrophobicContact CD1-CB 2.29Å; F143-W146 AromaticContact CD1-CD1 3.61Å; F143-W146 AromaticContact CD1-CD2 2.74Å; F143-W146 HydrophobicContact CD1-CD2 2.74Å; F143-W146 AromaticContact CD1-CE3 2.93Å; F143-W146 HydrophobicContact CD1-CE3 2.93Å; F143-W146 AromaticContact CD1-CG 2.28Å; F143-W146 HydrophobicContact CD1-CG 2.28Å; F143-W146 HydrophobicContact CD1-CZ3 4.29Å; F143-W146 HydrophobicContact CD2-CB 2.3Å; F143-W146 AromaticContact CD2-CD1 2.61Å; F143-W146 AromaticContact CD2-CD2 3.8Å; F143-W146 HydrophobicContact CD2-CD2 3.8Å; F143-W146 AromaticContact CD2-CG 2.3Å; F143-W146 HydrophobicContact CD2-CG 2.3Å; F143-W146 AromaticContact CD2-NE1 3.93Å; F143-W146 HydrophobicContact CE1-CB 2.3Å; F143-W146 AromaticContact CE1-CD1 3.61Å; F143-W146 AromaticContact CE1-CD2 2.7Å; F143-W146 HydrophobicContact CE1-CD2 2.7Å; F143-W146 AromaticContact CE1-CE3 2.9Å; F143-W146 HydrophobicContact CE1-CE3 2.9Å; F143-W146 AromaticContact CE1-CG 2.27Å; F143-W146 HydrophobicContact CE1-CG 2.27Å; F143-W146 HydrophobicContact CE1-CZ3 4.23Å; F143-W146 VanDerWaalsContact CE1-O 3.31Å; F143-W146 WeakPolarHBondContact CE1-O 3.46Å; F143-W146 HydrophobicContact CE2-CB 2.31Å; F143-W146 AromaticContact CE2-CD1 2.61Å; F143-W146 AromaticContact CE2-CD2 3.77Å; F143-W146 HydrophobicContact CE2-CD2 3.77Å; F143-W146 AromaticContact CE2-CG 2.29Å; F143-W146 HydrophobicContact CE2-CG 2.29Å; F143-W146 AromaticContact CE2-NE1 3.9Å; F143-W146 HydrophobicContact CG-CB 2.32Å; F143-W146 AromaticContact CG-CD1 3.13Å; F143-W146 AromaticContact CG-CD2 3.3Å; F143-W146 HydrophobicContact CG-CD2 3.3Å; F143-W146 HydrophobicContact CG-CE3 4.04Å; F143-W146 AromaticContact CG-CG 2.28Å; F143-W146 HydrophobicContact CG-CG 2.28Å; F143-W146 HydrophobicContact CZ-CB 2.31Å; F143-W146 AromaticContact CZ-CD1 3.15Å; F143-W146 AromaticContact CZ-CD2 3.27Å; F143-W146 HydrophobicContact CZ-CD2 3.27Å; F143-W146 HydrophobicContact CZ-CE3 4.02Å; F143-W146 AromaticContact CZ-CG 2.28Å; F143-W146 HydrophobicContact CZ-CG 2.28Å; F143-W146 WeakPolarHBondContact CZ-O 3.36Å; F143-W146 PolarHBondContact O-N 3.47Å; F143-M147 HydrophobicContact CE1-CB 3.81Å; F143-M147 HydrophobicContact CZ-CB 4.47Å
144Q39.7Very low56.5Low122 Ų122112 Ų11257%0.5757%0.57SS**THydrogen-bonded Turntrans-63.5-21.8162.2-68.1-65.5-27.800110.8E141 W148E141-Q144 PolarHBondContact O-N 2.97Å; Q144-W148 PolarHBondContact O-NE1 3.27Å; Q144-W148 VanDerWaalsContact O-NE1 3.17Å
145S51Low58.4Low73 Ų73107.8 Ų107.851%0.5155%0.552SS.*SBendtrans-87.9-26.6176.456.80000115.7F143 M147F143-S145 PolarHBondContact O-N 3.47Å; S145-M147 PolarHBondContact O-N 2.95Å
146W52.1Low60.2Low135 Ų135105.1 Ų105.151%0.51154%0.537SS..THydrogen-bonded Turntrans-63.9-23-140.388.4165.2000116.1Y118 F143Y118-W146 PolarHBondContact OH-NE1 3.4Å; F143-W146 HydrophobicContact CB-CB 3.67Å; F143-W146 HydrophobicContact CB-CD2 4.25Å; F143-W146 HydrophobicContact CB-CG 3.52Å; F143-W146 HydrophobicContact CD1-CB 2.29Å; F143-W146 AromaticContact CD1-CD1 3.61Å; F143-W146 AromaticContact CD1-CD2 2.74Å; F143-W146 HydrophobicContact CD1-CD2 2.74Å; F143-W146 AromaticContact CD1-CE3 2.93Å; F143-W146 HydrophobicContact CD1-CE3 2.93Å; F143-W146 AromaticContact CD1-CG 2.28Å; F143-W146 HydrophobicContact CD1-CG 2.28Å; F143-W146 HydrophobicContact CD1-CZ3 4.29Å; F143-W146 HydrophobicContact CD2-CB 2.3Å; F143-W146 AromaticContact CD2-CD1 2.61Å; F143-W146 AromaticContact CD2-CD2 3.8Å; F143-W146 HydrophobicContact CD2-CD2 3.8Å; F143-W146 AromaticContact CD2-CG 2.3Å; F143-W146 HydrophobicContact CD2-CG 2.3Å; F143-W146 AromaticContact CD2-NE1 3.93Å; F143-W146 HydrophobicContact CE1-CB 2.3Å; F143-W146 AromaticContact CE1-CD1 3.61Å; F143-W146 AromaticContact CE1-CD2 2.7Å; F143-W146 HydrophobicContact CE1-CD2 2.7Å; F143-W146 AromaticContact CE1-CE3 2.9Å; F143-W146 HydrophobicContact CE1-CE3 2.9Å; F143-W146 AromaticContact CE1-CG 2.27Å; F143-W146 HydrophobicContact CE1-CG 2.27Å; F143-W146 HydrophobicContact CE1-CZ3 4.23Å; F143-W146 VanDerWaalsContact CE1-O 3.31Å; F143-W146 WeakPolarHBondContact CE1-O 3.46Å; F143-W146 HydrophobicContact CE2-CB 2.31Å; F143-W146 AromaticContact CE2-CD1 2.61Å; F143-W146 AromaticContact CE2-CD2 3.77Å; F143-W146 HydrophobicContact CE2-CD2 3.77Å; F143-W146 AromaticContact CE2-CG 2.29Å; F143-W146 HydrophobicContact CE2-CG 2.29Å; F143-W146 AromaticContact CE2-NE1 3.9Å; F143-W146 HydrophobicContact CG-CB 2.32Å; F143-W146 AromaticContact CG-CD1 3.13Å; F143-W146 AromaticContact CG-CD2 3.3Å; F143-W146 HydrophobicContact CG-CD2 3.3Å; F143-W146 HydrophobicContact CG-CE3 4.04Å; F143-W146 AromaticContact CG-CG 2.28Å; F143-W146 HydrophobicContact CG-CG 2.28Å; F143-W146 HydrophobicContact CZ-CB 2.31Å; F143-W146 AromaticContact CZ-CD1 3.15Å; F143-W146 AromaticContact CZ-CD2 3.27Å; F143-W146 HydrophobicContact CZ-CD2 3.27Å; F143-W146 HydrophobicContact CZ-CE3 4.02Å; F143-W146 AromaticContact CZ-CG 2.28Å; F143-W146 HydrophobicContact CZ-CG 2.28Å; F143-W146 WeakPolarHBondContact CZ-O 3.36Å; F143-W146 PolarHBondContact O-N 3.47Å
147M45.8Very low62Low56 Ų56101.3 Ų101.328%0.27652%0.517SS..THydrogen-bonded Turntrans-156.169.4175.9-159.2174.83700110.9Y119 F143 S145 R149 G150 F153Y119-M147 HydrophobicContact CD2-CE 4.32Å; F143-M147 HydrophobicContact CE1-CB 3.81Å; F143-M147 HydrophobicContact CZ-CB 4.47Å; S145-M147 PolarHBondContact O-N 2.95Å; M147-R149 CarbonylContact O-C 3.37Å; M147-R149 WeakPolarHBondContact O-CA 3.41Å; M147-R149 PolarHBondContact O-N 2.93Å; M147-G150 PolarHBondContact O-N 3.48Å; M147-F153 HydrophobicContact CG-CB 3.87Å; M147-F153 HydrophobicContact CG-CD1 4.47Å; M147-F153 HydrophobicContact CG-CG 4.26Å; M147-F153 HydrophobicContact SD-CB 4.02Å; M147-F153 HydrophobicContact SD-CD1 3.73Å; M147-F153 HydrophobicContact SD-CG 4.11Å
148W48.1Very low63.7Low203 Ų20396.2 Ų96.277%0.76949%0.49SS*.THydrogen-bonded Turntrans-55.8-1.1-170.3-105.5111.3000118Q144Q144-W148 PolarHBondContact O-NE1 3.27Å; Q144-W148 VanDerWaalsContact O-NE1 3.17Å
149R55.3Low65.4Low197 Ų19797.1 Ų97.174%0.74349%0.489SS*.THydrogen-bonded Turntrans-159107.2140.5-102.2145.5171.4178.2-3.4108M147 L151 T152 F153M147-R149 CarbonylContact O-C 3.37Å; M147-R149 WeakPolarHBondContact O-CA 3.41Å; M147-R149 PolarHBondContact O-N 2.93Å; R149-L151 PolarHBondContact O-N 3.49Å; R149-L151 VanDerWaalsContact O-N 3.13Å; R149-T152 WeakPolarHBondContact CB-OG1 3.33Å; R149-T152 WeakPolarHBondContact O-CA 3.45Å; R149-T152 WeakPolarHBondContact O-CB 3.36Å; R149-T152 PolarHBondContact O-N 3.04Å; R149-F153 PolarHBondContact O-N 3.11Å; R149-F153 VanDerWaalsContact O-N 3.11Å
150G65Low67Low12 Ų1295.5 Ų95.512%0.12447%0.471CS..Hα-helixtrans-54.5-34.2-175.500000115.4M147 L154M147-G150 PolarHBondContact O-N 3.48Å; G150-L154 WeakPolarHBondContact O-CB 3.14Å; G150-L154 PolarHBondContact O-N 3.26Å
151L67.4Low69Low98 Ų9891.6 Ų91.651%0.51345%0.449SS..Hα-helixtrans-68-38.5172.9-175.760.5000112.4R149 L154 L155R149-L151 PolarHBondContact O-N 3.49Å; R149-L151 VanDerWaalsContact O-N 3.13Å; L151-L154 PolarHBondContact O-N 3.02Å; L151-L155 WeakPolarHBondContact O-CB 3.46Å; L151-L155 PolarHBondContact O-N 2.86Å
152T76.8Confident70.5Confident85 Ų8586.5 Ų86.552%0.52143%0.425SS..Hα-helixtrans-72-36.2-177.1-54.40000112.3R149 L154 P156R149-T152 WeakPolarHBondContact CB-OG1 3.33Å; R149-T152 WeakPolarHBondContact O-CA 3.45Å; R149-T152 WeakPolarHBondContact O-CB 3.36Å; R149-T152 PolarHBondContact O-N 3.04Å; T152-L154 VanDerWaalsContact C-N 3.35Å; T152-P156 WeakPolarHBondContact O-CD 3.39Å
153F82.6Confident72.5Confident104 Ų10489.8 Ų89.846%0.45642%0.421SS..Hα-helixtrans-64.6-39.9171.1173.2-100.7000112M147 R149 P156 F157M147-F153 HydrophobicContact CG-CB 3.87Å; M147-F153 HydrophobicContact CG-CD1 4.47Å; M147-F153 HydrophobicContact CG-CG 4.26Å; M147-F153 HydrophobicContact SD-CB 4.02Å; M147-F153 HydrophobicContact SD-CD1 3.73Å; M147-F153 HydrophobicContact SD-CG 4.11Å; R149-F153 PolarHBondContact O-N 3.11Å; R149-F153 VanDerWaalsContact O-N 3.11Å; F153-P156 WeakPolarHBondContact O-CD 3.34Å; F153-P156 WeakPolarHBondContact O-CG 3.21Å; F153-F157 HydrophobicContact CE1-CE2 4.07Å; F153-F157 HydrophobicContact CE2-CE2 4.07Å; F153-F157 AromaticContact CZ-CE2 3.8Å; F153-F157 HydrophobicContact CZ-CE2 3.8Å; F153-F157 HydrophobicContact CZ-CZ 4.22Å; F153-F157 VanDerWaalsContact O-CD2 3.29Å; F153-F157 WeakPolarHBondContact O-CD2 3.41Å; F153-F157 WeakPolarHBondContact O-CE2 3.43Å
154L84.3Confident74.7Confident8 Ų888 Ų884%0.04241%0.411CS..Hα-helixtrans-74.2-32.3-178.8-175.955.8000112.6L115 Q116 Y119 G150 L151 T152 F157 L158L115-L154 HydrophobicContact CB-CD1 3.83Å; Q116-L154 HydrophobicContact CG-CD1 4.1Å; Q116-L154 HydrophobicContact CG-CD2 4.14Å; Y119-L154 HydrophobicContact CD1-CD2 3.75Å; Y119-L154 HydrophobicContact CG-CD2 3.96Å; G150-L154 WeakPolarHBondContact O-CB 3.14Å; G150-L154 PolarHBondContact O-N 3.26Å; L151-L154 PolarHBondContact O-N 3.02Å; T152-L154 VanDerWaalsContact C-N 3.35Å; L154-F157 PolarHBondContact O-N 3.35Å; L154-L158 HydrophobicContact CD1-CD1 3.74Å; L154-L158 HydrophobicContact CG-CD1 3.76Å; L154-L158 WeakPolarHBondContact O-CD1 3.29Å; L154-L158 PolarHBondContact O-N 3.07Å
155L87.4Confident77.1Confident81 Ų8185.1 Ų85.142%0.42440%0.398SS..Hα-helixtrans-49.7-52-177.3-162.7105.2000115.5L151 F157 L158 F159L151-L155 WeakPolarHBondContact O-CB 3.46Å; L151-L155 PolarHBondContact O-N 2.86Å; L155-F157 VanDerWaalsContact C-N 3.28Å; L155-F157 PolarHBondContact O-N 3.08Å; L155-L158 PolarHBondContact O-N 3.25Å; L155-L158 VanDerWaalsContact O-N 3.11Å; L155-F159 HydrophobicContact CD1-CE2 4.26Å; L155-F159 HydrophobicContact CD2-CD2 3.97Å; L155-F159 HydrophobicContact CD2-CE2 3.8Å; L155-F159 HydrophobicContact CG-CD2 3.87Å; L155-F159 HydrophobicContact CG-CE2 3.84Å; L155-F159 WeakPolarHBondContact O-CD2 3.46Å; L155-F159 PolarHBondContact O-N 3.45Å
156P88.7Confident79Confident71 Ų7186.4 Ų86.446%0.46140%0.399SS..Hα-helixtrans-61.1-34.5-179.123.3-35.2000113T152 F153 F159 F160T152-P156 WeakPolarHBondContact O-CD 3.39Å; F153-P156 WeakPolarHBondContact O-CD 3.34Å; F153-P156 WeakPolarHBondContact O-CG 3.21Å; P156-F159 PolarHBondContact O-N 2.99Å; P156-F160 WeakPolarHBondContact O-CB 3.48Å; P156-F160 PolarHBondContact O-N 3.07Å
157F89.3Confident80.8Confident58 Ų5884.7 Ų84.725%0.25440%0.395SS..Hα-helixtrans-68-37.4175.4-59.4-84000111.9Y108 F111 V112 L115 F153 L154 L155 G161Y108-F157 WeakPolarHBondContact OH-CA 3.25Å; Y108-F157 PolarHBondContact OH-O 3.32Å; F111-F157 HydrophobicContact CE1-CD1 4.22Å; F111-F157 HydrophobicContact CE1-CE1 4.13Å; V112-F157 HydrophobicContact CG2-CB 4.11Å; L115-F157 HydrophobicContact CD1-CD1 4.38Å; L115-F157 HydrophobicContact CD1-CD2 4.14Å; L115-F157 HydrophobicContact CD1-CE2 4.31Å; L115-F157 HydrophobicContact CD1-CG 4.18Å; F153-F157 HydrophobicContact CE1-CE2 4.07Å; F153-F157 HydrophobicContact CE2-CE2 4.07Å; F153-F157 AromaticContact CZ-CE2 3.8Å; F153-F157 HydrophobicContact CZ-CE2 3.8Å; F153-F157 HydrophobicContact CZ-CZ 4.22Å; F153-F157 VanDerWaalsContact O-CD2 3.29Å; F153-F157 WeakPolarHBondContact O-CD2 3.41Å; F153-F157 WeakPolarHBondContact O-CE2 3.43Å; L154-F157 PolarHBondContact O-N 3.35Å; L155-F157 VanDerWaalsContact C-N 3.28Å; L155-F157 PolarHBondContact O-N 3.08Å; F157-G161 PolarHBondContact O-N 3.12Å
158L89.3Confident82.8Confident32 Ų3282.6 Ų82.617%0.16839%0.385CS..Hα-helixtrans-65.6-43.8173-88.661.5000111.4W72 V112 Q116 L154 L155 G161 H162W72-L158 HydrophobicContact CH2-CD2 3.78Å; W72-L158 HydrophobicContact CH2-CG 4.3Å; W72-L158 HydrophobicContact CZ2-CD2 3.98Å; V112-L158 HydrophobicContact CG1-CD1 3.76Å; Q116-L158 HydrophobicContact CG-CD1 4.39Å; L154-L158 HydrophobicContact CD1-CD1 3.74Å; L154-L158 HydrophobicContact CG-CD1 3.76Å; L154-L158 WeakPolarHBondContact O-CD1 3.29Å; L154-L158 PolarHBondContact O-N 3.07Å; L155-L158 PolarHBondContact O-N 3.25Å; L155-L158 VanDerWaalsContact O-N 3.11Å; L158-G161 PolarHBondContact O-N 3.25Å; L158-H162 PolarHBondContact O-CD2 3.21Å; L158-H162 PolarHBondContact O-N 3.46Å
159F90.4Very high84.7Confident139 Ų13975.4 Ų75.461%0.6137%0.369SS*.Hα-helixtrans-62.1-45.6176.6-91.2-80.6000112.5L155 P156 G161 H162 F163L155-F159 HydrophobicContact CD1-CE2 4.26Å; L155-F159 HydrophobicContact CD2-CD2 3.97Å; L155-F159 HydrophobicContact CD2-CE2 3.8Å; L155-F159 HydrophobicContact CG-CD2 3.87Å; L155-F159 HydrophobicContact CG-CE2 3.84Å; L155-F159 WeakPolarHBondContact O-CD2 3.46Å; L155-F159 PolarHBondContact O-N 3.45Å; P156-F159 PolarHBondContact O-N 2.99Å; F159-G161 VanDerWaalsContact C-N 3.35Å; F159-H162 PolarHBondContact O-N 2.94Å; F159-F163 PolarHBondContact O-N 2.9Å
160F92.7Very high86.3Confident99 Ų9970.4 Ų70.443%0.43436%0.356SS..Hα-helixtrans-65-37.9176.1-176.3-101.8000112Y108 P156 F163 W164Y108-F160 HydrophobicContact CD2-CE1 4.45Å; Y108-F160 HydrophobicContact CE1-CD1 4.1Å; Y108-F160 AromaticContact CE2-CD1 3.84Å; Y108-F160 HydrophobicContact CE2-CD1 3.84Å; Y108-F160 HydrophobicContact CE2-CE1 4.04Å; Y108-F160 AromaticContact CZ-CD1 3.58Å; P156-F160 WeakPolarHBondContact O-CB 3.48Å; P156-F160 PolarHBondContact O-N 3.07Å; F160-F163 PolarHBondContact O-N 3.27Å; F160-W164 HydrophobicContact CD1-CE3 4.34Å; F160-W164 AromaticContact CE1-CE3 3.45Å; F160-W164 HydrophobicContact CE1-CE3 3.45Å; F160-W164 VanDerWaalsContact CE1-CE3 3.45Å; F160-W164 AromaticContact CE1-CZ3 3.71Å; F160-W164 HydrophobicContact CE1-CZ3 3.71Å; F160-W164 AromaticContact CZ-CE3 3.72Å; F160-W164 HydrophobicContact CZ-CE3 3.72Å; F160-W164 AromaticContact CZ-CZ3 3.86Å; F160-W164 HydrophobicContact CZ-CZ3 3.86Å; F160-W164 PolarHBondContact O-N 3.23Å
161G90.7Very high87.4Confident11 Ų1171.1 Ų71.111%0.11336%0.358CS..Hα-helixtrans-60.5-44.1172.200000113.3F157 L158 F159 W164 Q165F157-G161 PolarHBondContact O-N 3.12Å; L158-G161 PolarHBondContact O-N 3.25Å; F159-G161 VanDerWaalsContact C-N 3.35Å; G161-W164 PolarHBondContact O-N 2.99Å; G161-Q165 WeakPolarHBondContact O-CG 3.29Å; G161-Q165 PolarHBondContact O-N 2.94Å
162H90.1Very high88.2Confident64 Ų6468.9 Ų68.930%0.29635%0.347SS..Hα-helixtrans-68.3-34.8174.7-68.9-50.5000112.7H75 L158 F159 Q165 L166H75-H162 AromaticContact NE2-CE1 3.36Å; H75-H162 PolarHBondContact NE2-CE1 2.97Å; H75-H162 AromaticContact NE2-ND1 3.83Å; L158-H162 PolarHBondContact O-CD2 3.21Å; L158-H162 PolarHBondContact O-N 3.46Å; F159-H162 PolarHBondContact O-N 2.94Å; H162-Q165 PolarHBondContact ND1-OE1 3.37Å; H162-Q165 WeakPolarHBondContact O-CB 3.47Å; H162-Q165 PolarHBondContact O-N 3.38Å; H162-L166 PolarHBondContact O-N 2.97Å
163F92Very high88.7Confident135 Ų13570.6 Ų70.659%0.59235%0.347SS*.Hα-helixtrans-64.4-41.7171.7-177.6-97.4000111.9F159 F160 L166 F167F159-F163 PolarHBondContact O-N 2.9Å; F160-F163 PolarHBondContact O-N 3.27Å; F163-L166 PolarHBondContact O-N 3.41Å; F163-F167 PolarHBondContact O-N 3.06Å
164W90.3Very high88.8Confident64 Ų6470.4 Ų70.424%0.24235%0.351CS..Hα-helixtrans-66.3-37.4174.3-156.3-42.8000111.5F105 F160 G161 L166 F167 N168F105-W164 HydrophobicContact CD2-CB 3.96Å; F105-W164 AromaticContact CD2-CD1 3.55Å; F105-W164 HydrophobicContact CD2-CD2 4.3Å; F105-W164 AromaticContact CD2-CG 3.67Å; F105-W164 HydrophobicContact CD2-CG 3.67Å; F105-W164 HydrophobicContact CE2-CB 4.12Å; F105-W164 HydrophobicContact CE2-CG 4.33Å; F160-W164 HydrophobicContact CD1-CE3 4.34Å; F160-W164 AromaticContact CE1-CE3 3.45Å; F160-W164 HydrophobicContact CE1-CE3 3.45Å; F160-W164 VanDerWaalsContact CE1-CE3 3.45Å; F160-W164 AromaticContact CE1-CZ3 3.71Å; F160-W164 HydrophobicContact CE1-CZ3 3.71Å; F160-W164 AromaticContact CZ-CE3 3.72Å; F160-W164 HydrophobicContact CZ-CE3 3.72Å; F160-W164 AromaticContact CZ-CZ3 3.86Å; F160-W164 HydrophobicContact CZ-CZ3 3.86Å; F160-W164 PolarHBondContact O-N 3.23Å; G161-W164 PolarHBondContact O-N 2.99Å; W164-L166 VanDerWaalsContact C-N 3.32Å; W164-L166 PolarHBondContact O-N 2.98Å; W164-F167 PolarHBondContact O-N 3.36Å; W164-N168 VanDerWaalsContact CD1-OD1 3.23Å; W164-N168 PolarHBondContact NE1-OD1 3.03Å; W164-N168 WeakPolarHBondContact O-CB 3.21Å; W164-N168 VanDerWaalsContact O-CG 3.31Å; W164-N168 PolarHBondContact O-N 3.01Å
165Q90.1Very high88.7Confident63 Ų6370.9 Ų70.929%0.29435%0.353SS..Hα-helixtrans-56.6-44.9171.2-74.7171.8-16.300111.8H75 F105 G161 H162 N168 A169H75-Q165 PolarHBondContact CE1-OE1 3.37Å; F105-Q165 HydrophobicContact CE1-CG 4.46Å; F105-Q165 HydrophobicContact CE2-CG 3.86Å; F105-Q165 HydrophobicContact CZ-CG 3.47Å; F105-Q165 VanDerWaalsContact CZ-CG 3.47Å; G161-Q165 WeakPolarHBondContact O-CG 3.29Å; G161-Q165 PolarHBondContact O-N 2.94Å; H162-Q165 PolarHBondContact ND1-OE1 3.37Å; H162-Q165 WeakPolarHBondContact O-CB 3.47Å; H162-Q165 PolarHBondContact O-N 3.38Å; Q165-N168 PolarHBondContact O-N 3.15Å; Q165-A169 PolarHBondContact O-N 3.2Å; Q165-A169 VanDerWaalsContact O-N 3.07Å
166L90.8Very high88.4Confident100 Ų10068.7 Ų68.752%0.52435%0.347SS..Hα-helixtrans-65-43.7174.9179.460.9000112H162 F163 W164 N168 A169 L170H162-L166 PolarHBondContact O-N 2.97Å; F163-L166 PolarHBondContact O-N 3.41Å; W164-L166 VanDerWaalsContact C-N 3.32Å; W164-L166 PolarHBondContact O-N 2.98Å; L166-N168 PolarHBondContact O-N 3.12Å; L166-A169 WeakPolarHBondContact O-CB 3.44Å; L166-A169 PolarHBondContact O-N 2.79Å; L166-A169 VanDerWaalsContact O-N 3.17Å; L166-L170 HydrophobicContact CD1-CD1 4.47Å; L166-L170 HydrophobicContact CD1-CG 4.39Å; L166-L170 HydrophobicContact CG-CD1 4.23Å; L166-L170 WeakPolarHBondContact O-CG 3.17Å; L166-L170 PolarHBondContact O-N 3.15Å
167F89.7Confident87.9Confident98 Ų9871.1 Ų71.143%0.4335%0.352SS..Hα-helixtrans-58.8-45.1176178.9-113.9000111.9Q101 F163 W164 A169 L170 T171Q101-F167 VanDerWaalsContact NE2-CE1 3.29Å; F163-F167 PolarHBondContact O-N 3.06Å; W164-F167 PolarHBondContact O-N 3.36Å; F167-A169 VanDerWaalsContact C-N 3.33Å; F167-A169 PolarHBondContact O-N 3.36Å; F167-L170 PolarHBondContact O-N 3.17Å; F167-T171 PolarHBondContact O-N 3.32Å; F167-T171 PolarHBondContact O-OG1 3.18Å
168N88.6Confident87.3Confident12 Ų1269.9 Ų69.96%0.06435%0.348CS..Hα-helixtrans-60.1-41.1174.5-71.2-16000112.3F98 Q101 F105 W164 Q165 L166 T171 L172F98-N168 HydrophobicContact CE2-CB 4.26Å; F98-N168 HydrophobicContact CZ-CB 4.3Å; Q101-N168 WeakPolarHBondContact CG-OD1 3.32Å; Q101-N168 PolarHBondContact NE2-OD1 3.04Å; F105-N168 WeakPolarHBondContact CG-ND2 3.32Å; W164-N168 VanDerWaalsContact CD1-OD1 3.23Å; W164-N168 PolarHBondContact NE1-OD1 3.03Å; W164-N168 WeakPolarHBondContact O-CB 3.21Å; W164-N168 VanDerWaalsContact O-CG 3.31Å; W164-N168 PolarHBondContact O-N 3.01Å; Q165-N168 PolarHBondContact O-N 3.15Å; L166-N168 PolarHBondContact O-N 3.12Å; N168-T171 PolarHBondContact O-N 3.42Å; N168-L172 WeakPolarHBondContact O-CB 3.41Å; N168-L172 WeakPolarHBondContact O-CG 3.42Å; N168-L172 PolarHBondContact O-N 3.49Å
169A88.1Confident86.3Confident53 Ų5373.9 Ų73.944%0.43838%0.376SS..Hα-helixtrans-64.8-41176.600000112Q165 L166 F167 L172 F173Q165-A169 PolarHBondContact O-N 3.2Å; Q165-A169 VanDerWaalsContact O-N 3.07Å; L166-A169 WeakPolarHBondContact O-CB 3.44Å; L166-A169 PolarHBondContact O-N 2.79Å; L166-A169 VanDerWaalsContact O-N 3.17Å; F167-A169 VanDerWaalsContact C-N 3.33Å; F167-A169 PolarHBondContact O-N 3.36Å; A169-L172 PolarHBondContact O-N 3.19Å; A169-F173 WeakPolarHBondContact O-CB 3.46Å; A169-F173 PolarHBondContact O-N 2.97Å
170L88.6Confident85.2Confident92 Ų9273 Ų7348%0.48237%0.373SS..Hα-helixtrans-66.2-40.8174.5-67.6171.4000112L166 F167 F173 N174L166-L170 HydrophobicContact CD1-CD1 4.47Å; L166-L170 HydrophobicContact CD1-CG 4.39Å; L166-L170 HydrophobicContact CG-CD1 4.23Å; L166-L170 WeakPolarHBondContact O-CG 3.17Å; L166-L170 PolarHBondContact O-N 3.15Å; F167-L170 PolarHBondContact O-N 3.17Å; L170-F173 PolarHBondContact O-N 3.36Å; L170-N174 WeakPolarHBondContact O-CB 3.32Å; L170-N174 VanDerWaalsContact O-CG 3.28Å; L170-N174 PolarHBondContact O-N 2.95Å; L170-N174 PolarHBondContact O-ND2 2.77Å
171T87Confident83.7Confident27 Ų2768.4 Ų68.417%0.16635%0.354CS..Hα-helixtrans-59.6-47.6172.8-54.20000111.1F98 Q101 F167 N168 F173 N174 L175F98-T171 HydrophobicContact CD2-CG2 4.16Å; Q101-T171 PolarHBondContact NE2-OG1 2.89Å; F167-T171 PolarHBondContact O-N 3.32Å; F167-T171 PolarHBondContact O-OG1 3.18Å; N168-T171 PolarHBondContact O-N 3.42Å; T171-F173 PolarHBondContact O-N 3.1Å; T171-N174 PolarHBondContact O-N 2.9Å; T171-L175 HydrophobicContact CG2-CD1 3.9Å; T171-L175 HydrophobicContact CG2-CG 4.34Å; T171-L175 WeakPolarHBondContact O-CB 3.39Å; T171-L175 VanDerWaalsContact O-CG 3.26Å; T171-L175 WeakPolarHBondContact O-CG 3.31Å; T171-L175 PolarHBondContact O-N 3.09Å
172L85.3Confident82.4Confident51 Ų5175.9 Ų75.927%0.26738%0.383SS..Hα-helixtrans-64.3-38.6178.5-75.3170.7000112.6W89 F98 N168 A169 L175 A176W89-L172 HydrophobicContact CH2-CD2 3.81Å; W89-L172 HydrophobicContact CZ3-CD2 3.81Å; F98-L172 HydrophobicContact CD1-CD2 3.82Å; F98-L172 HydrophobicContact CD2-CD2 3.99Å; F98-L172 HydrophobicContact CD2-CG 4.17Å; F98-L172 HydrophobicContact CE1-CD1 4.07Å; F98-L172 HydrophobicContact CE1-CD2 3.86Å; F98-L172 HydrophobicContact CE1-CG 4.16Å; F98-L172 HydrophobicContact CE2-CD1 4.21Å; F98-L172 HydrophobicContact CE2-CD2 4.03Å; F98-L172 HydrophobicContact CE2-CG 3.78Å; F98-L172 HydrophobicContact CG-CD2 3.89Å; F98-L172 HydrophobicContact CZ-CD1 3.72Å; F98-L172 HydrophobicContact CZ-CD2 3.97Å; F98-L172 HydrophobicContact CZ-CG 3.78Å; N168-L172 WeakPolarHBondContact O-CB 3.41Å; N168-L172 WeakPolarHBondContact O-CG 3.42Å; N168-L172 PolarHBondContact O-N 3.49Å; A169-L172 PolarHBondContact O-N 3.19Å; L172-L175 PolarHBondContact O-N 2.74Å; L172-A176 WeakPolarHBondContact O-CB 3.39Å; L172-A176 PolarHBondContact O-N 2.66Å
173F86.8Confident81.1Confident121 Ų12176.4 Ų76.453%0.53139%0.386SS..Hα-helixtrans-63.1-45.8175.4-174.6-95.6000111.8A169 L170 T171 A176 Q177A169-F173 WeakPolarHBondContact O-CB 3.46Å; A169-F173 PolarHBondContact O-N 2.97Å; L170-F173 PolarHBondContact O-N 3.36Å; T171-F173 PolarHBondContact O-N 3.1Å; F173-A176 PolarHBondContact O-N 3.21Å; F173-Q177 PolarHBondContact O-N 3.17Å; F173-Q177 VanDerWaalsContact O-N 3.12Å
174N84.9Confident79.7Confident99 Ų9977.2 Ų77.253%0.52939%0.385SS..Hα-helixtrans-65.8-38.2176-68.2-23000112.2L170 T171 Q177 D178L170-N174 WeakPolarHBondContact O-CB 3.32Å; L170-N174 VanDerWaalsContact O-CG 3.28Å; L170-N174 PolarHBondContact O-N 2.95Å; L170-N174 PolarHBondContact O-ND2 2.77Å; T171-N174 PolarHBondContact O-N 2.9Å; N174-Q177 CarbonylContact O-C 3.59Å; N174-Q177 PolarHBondContact O-N 2.87Å; N174-D178 PolarHBondContact O-N 3.43Å; N174-D178 VanDerWaalsContact O-N 3.13Å
175L83.1Confident77.9Confident19 Ų1978 Ų7810%0.09939%0.392CS..Hα-helixtrans-68-32.3175.2-73172.9000112.6M94 K97 F98 T171 L172 Q177 D178 C181M94-L175 HydrophobicContact SD-CD2 3.86Å; K97-L175 HydrophobicContact CB-CD2 4.2Å; K97-L175 HydrophobicContact CD-CD2 3.58Å; F98-L175 HydrophobicContact CB-CD1 3.94Å; F98-L175 HydrophobicContact CD2-CD1 4.46Å; T171-L175 HydrophobicContact CG2-CD1 3.9Å; T171-L175 HydrophobicContact CG2-CG 4.34Å; T171-L175 WeakPolarHBondContact O-CB 3.39Å; T171-L175 VanDerWaalsContact O-CG 3.26Å; T171-L175 WeakPolarHBondContact O-CG 3.31Å; T171-L175 PolarHBondContact O-N 3.09Å; L172-L175 PolarHBondContact O-N 2.74Å; L175-Q177 VanDerWaalsContact C-N 3.33Å; L175-D178 WeakPolarHBondContact O-CB 3.33Å; L175-D178 PolarHBondContact O-N 3.45Å; L175-C181 WeakPolarHBondContact O-CB 3.15Å
176A79.9Confident76.2Confident35 Ų3581.6 Ų81.629%0.28942%0.417SS..Hα-helixtrans-66-38.1170.900000111.2L172 F173 D178 W184L172-A176 WeakPolarHBondContact O-CB 3.39Å; L172-A176 PolarHBondContact O-N 2.66Å; F173-A176 PolarHBondContact O-N 3.21Å; A176-D178 VanDerWaalsContact C-N 3.28Å; A176-D178 PolarHBondContact O-N 3.31Å; A176-W184 VanDerWaalsContact O-CE2 3.23Å; A176-W184 WeakPolarHBondContact O-CZ2 3.4Å; A176-W184 PolarHBondContact O-NE1 2.9Å
177Q77.9Confident74.1Confident121 Ų12181.8 Ų81.857%0.56543%0.427SS*.THydrogen-bonded Turntrans-76.8-6.4176.9-67.3-173.9-24.200114.5F173 N174 L175 P179F173-Q177 PolarHBondContact O-N 3.17Å; F173-Q177 VanDerWaalsContact O-N 3.12Å; N174-Q177 CarbonylContact O-C 3.59Å; N174-Q177 PolarHBondContact O-N 2.87Å; L175-Q177 VanDerWaalsContact C-N 3.33Å; Q177-P179 WeakPolarHBondContact O-CD 3.44Å
178D77.1Confident71.9Confident33 Ų3389 Ų8918%0.17645%0.451CS..  trans-63.9123.6177.5-171.4-38.4000110.7M94 K97 N174 L175 A176 Q180 C181M94-D178 HydrophobicContact CE-CB 3.97Å; M94-D178 VanDerWaalsContact CE-OD2 3.28Å; M94-D178 WeakPolarHBondContact CE-OD2 3.49Å; M94-D178 HydrophobicContact SD-CB 4.35Å; K97-D178 IonicContact NZ-OD2 3.81Å; K97-D178 PolarHBondContact NZ-OD2 3.27Å; N174-D178 PolarHBondContact O-N 3.43Å; N174-D178 VanDerWaalsContact O-N 3.13Å; L175-D178 WeakPolarHBondContact O-CB 3.33Å; L175-D178 PolarHBondContact O-N 3.45Å; A176-D178 VanDerWaalsContact C-N 3.28Å; A176-D178 PolarHBondContact O-N 3.31Å; D178-Q180 PolarHBondContact O-N 3.43Å; D178-Q180 WeakPolarHBondContact OD1-CB 3.4Å; D178-Q180 PolarHBondContact OD1-N 3.41Å; D178-C181 HydrophobicContact CB-CB 4.38Å; D178-C181 VanDerWaalsContact O-CB 3.32Å; D178-C181 WeakPolarHBondContact O-CB 3.31Å; D178-C181 PolarHBondContact O-N 3.02Å
179P67.7Low69.6Low116 Ų11690.4 Ų90.475%0.75347%0.469SS*.THydrogen-bonded Turntrans-59.4-14.6179.4-25.935.4000115.3Q177Q177-P179 WeakPolarHBondContact O-CD 3.44Å
180Q67.5Low67.3Low119 Ų11993 Ų9356%0.55648%0.482SS*.THydrogen-bonded Turntrans-86.6-9.5174.4-60-178.9-20.300113.1L93 M94 D178 K182L93-Q180 VanDerWaalsContact CD2-OE1 3.27Å; M94-Q180 HydrophobicContact CE-CB 3.52Å; D178-Q180 PolarHBondContact O-N 3.43Å; D178-Q180 WeakPolarHBondContact OD1-CB 3.4Å; D178-Q180 PolarHBondContact OD1-N 3.41Å; Q180-K182 PolarHBondContact O-N 2.98Å
181C62.3Low65Low3 Ų3100.8 Ų100.82%0.0251%0.505CS..  trans-81.384.4-176-1630000112.1M94 L175 D178 E183 Q185M94-C181 HydrophobicContact CE-CB 4.25Å; M94-C181 HydrophobicContact CG-CB 3.92Å; L175-C181 WeakPolarHBondContact O-CB 3.15Å; D178-C181 HydrophobicContact CB-CB 4.38Å; D178-C181 VanDerWaalsContact O-CB 3.32Å; D178-C181 WeakPolarHBondContact O-CB 3.31Å; D178-C181 PolarHBondContact O-N 3.02Å; C181-E183 VanDerWaalsContact C-N 3.34Å; C181-E183 WeakPolarHBondContact CA-OE2 3.49Å; C181-E183 PolarHBondContact SG-OE2 3.5Å; C181-Q185 WeakPolarHBondContact O-CG 3.26Å
182K62.1Low62.8Low168 Ų168105.3 Ų105.373%0.7353%0.533SS*.THydrogen-bonded Turntrans-83.9-9.7-179.9-63.1178.9-177.8179.10113.2Q180Q180-K182 PolarHBondContact O-N 2.98Å
183E64.3Low60.5Low76 Ų76106.1 Ų106.136%0.35555%0.553SS.*THydrogen-bonded Turntrans-74-27.2-170.5-58.695.6139.300113.8P90 C181P90-E183 HydrophobicContact CG-CG 4.24Å; C181-E183 VanDerWaalsContact C-N 3.34Å; C181-E183 WeakPolarHBondContact CA-OE2 3.49Å; C181-E183 PolarHBondContact SG-OE2 3.5Å
184W62.1Low58Low152 Ų152112.1 Ų112.158%0.57657%0.572SS**THydrogen-bonded Turntrans-107-22.1172.773.9-90.3000113.1A176 V186A176-W184 VanDerWaalsContact O-CE2 3.23Å; A176-W184 WeakPolarHBondContact O-CZ2 3.4Å; A176-W184 PolarHBondContact O-NE1 2.9Å; W184-V186 PolarHBondContact O-N 3.48Å
185Q52.1Low55.7Low81 Ų81116.4 Ų116.438%0.37959%0.592SS.*  trans-76.686.7179.3-66.1-172.711.200110.4C181 S187C181-Q185 WeakPolarHBondContact O-CG 3.26Å; Q185-S187 PolarHBondContact O-N 2.87Å
186V54.7Low53.7Low137 Ų137119.8 Ų119.883%0.8363%0.631SS**  trans-56.21071551800000106.4W184 R188W184-V186 PolarHBondContact O-N 3.48Å; V186-R188 PolarHBondContact O-N 3.29Å; V186-R188 VanDerWaalsContact O-N 3.1Å
187S45.8Very low51.4Low104 Ų104121.9 Ų121.973%0.72766%0.656SS**  trans-60.8119-175.146.20000109.2Q185 G189Q185-S187 PolarHBondContact O-N 2.87Å; S187-G189 PolarHBondContact O-N 3.37Å
188R43.6Very low49.3Very low249 Ų249125.1 Ų125.194%0.9467%0.671SS**  trans-72.760.6164.5-69.1-172.1179.8-1740.7109.3V186V186-R188 PolarHBondContact O-N 3.29Å; V186-R188 VanDerWaalsContact O-N 3.1Å
189G41.8Very low47.2Very low43 Ų43128.2 Ų128.244%0.44370%0.701SS.*  trans-56.3136.3162.300000108.3S187 W191S187-G189 PolarHBondContact O-N 3.37Å; G189-W191 PolarHBondContact O-N 2.9Å
190P38.9Very low45.4Very low108 Ų108131.5 Ų131.570%0.70171%0.706SS**  trans-54135.9174.1-27.936.7000111T192P190-T192 HydrophobicContact CB-CG2 4.4Å; P190-T192 WeakPolarHBondContact CB-OG1 3.46Å; P190-T192 PolarHBondContact O-N 3.18Å
191W41Very low43.7Very low255 Ų255131.4 Ų131.497%0.96671%0.713SS**SBendtrans-74.454.9170.7-91.982.6000110.8G189G189-W191 PolarHBondContact O-N 2.9Å
192T39.5Very low42.2Very low122 Ų122140.3 Ų140.375%0.74875%0.754SS**  trans-135.975.3-176.659.30000109.3P190P190-T192 HydrophobicContact CB-CG2 4.4Å; P190-T192 WeakPolarHBondContact CB-OG1 3.46Å; P190-T192 PolarHBondContact O-N 3.18Å
193G37.6Very low40.9Very low68 Ų68137.7 Ų137.770%0.70176%0.755SS**  trans-1660.3-178.100000116.8
194W35Very low39.3Very low247 Ų247139.6 Ų139.694%0.93678%0.776SS**SBendtrans-118.830.8-177.3-80.2101.4000113.9
195M36.8Very low38.1Very low189 Ų189137.3 Ų137.393%0.93178%0.781SS**SBendtrans-145.2122.4161-77.4-159.4-11500110.9
196G39.6Very low37Very low89 Ų89144.2 Ų144.292%0.91881%0.805SS**  trans75.299.9163.500000117.1
197G31.4Very low35.9Very low79 Ų79142.4 Ų142.481%0.81480%0.799SS**  trans-179.1113.6167.800000111.8A199G197-A199 PolarHBondContact O-N 2.73Å
198Q34Very low35.2Very low189 Ų189143 Ų14388%0.88380%0.803SS**  trans-76123-178-67.9170.1-63.800111H200Q198-H200 PolarHBondContact O-N 2.92Å; Q198-H200 VanDerWaalsContact O-N 3.09Å
199A32.7Very low34.5Very low99 Ų99134.7 Ų134.782%0.81880%0.795SS**  trans-75.594.6170.800000110.1G197G197-A199 PolarHBondContact O-N 2.73Å
200H30.5Very low34.1Very low185 Ų185144.1 Ų144.186%0.85682%0.817SS**  trans-71.8133.8173.6-129-83.9000110.6Q198Q198-H200 PolarHBondContact O-N 2.92Å; Q198-H200 VanDerWaalsContact O-N 3.09Å
201V32Very low33.5Very low116 Ų116144.4 Ų144.470%0.70382%0.821SS**  trans-81.3134.9-172.5174.60000111.8
202Q30.4Very low33Very low190 Ų190139.9 Ų139.989%0.88881%0.814SS**  trans-139.7132.8139.2-81.3-131.7-42.300110.1
203P35.7Very low32.5Very low114 Ų114139.7 Ų139.774%0.7482%0.817SS**  trans-95.5162.8178.837.9-34.1000112.3
204S29.7Very low32.2Very low115 Ų115140.6 Ų140.680%0.80482%0.818SS**  trans-138.9136.6157.8-1610000109.1
205P36.7Very low32Very low105 Ų105133.6 Ų133.668%0.68281%0.812SS**  trans-89.5150-167.334.8-35.6000113.4
206Y30.6Very low31.7Very low225 Ų225134.3 Ų134.388%0.88281%0.811SS**  175.1147.8120.8-105.3-79.1000111.6
207S30.3Very low31.7Very low100 Ų100135.1 Ų135.170%0.69980%0.8SS**  trans4681.9160.9-166.40000118.5
208S31.5Very low31.6Very low116 Ų116136.1 Ų136.181%0.81179%0.794SS**  38.4114.987.775.40000116.4
209G29.7Very low31.5Very low75 Ų75132.1 Ų132.177%0.77379%0.787SS**  trans-173.426.2-175.600000122.2
210R32.3Very low31.4Very low241 Ų241132 Ų13291%0.90978%0.781SS**  trans53.2123.2165-60.7-177.7-176.3-129-1.3120.3
211C27.2Very low31.3Very low114 Ų114132.6 Ų132.677%0.7778%0.781SS**  trans38.9135.3131-47.50000120.3
212L30.3Very low31.2Very low159 Ų159131.8 Ų131.883%0.83278%0.78SS**  -153.1172.759.1-109.295.5000114.8
213C28.5Very low31.2Very low118 Ų118128.1 Ų128.180%0.79778%0.776SS**  trans-27161.2168.7-45.80000118.7
214A32Very low31.1Very low88 Ų88127.6 Ų127.673%0.72778%0.781SS**  cis-148.8139.713.200000110.4
215A29.6Very low31Very low99 Ų99130 Ų13082%0.81878%0.783SS**  77.3115.189.300000116.5
216F30.1Very low30.6Very low205 Ų205130.6 Ų130.690%0.89979%0.79SS**  trans-65.3177.6165.8-82.1-86.7000112.2
217P40.8Very low30.6Very low106 Ų106124.8 Ų124.869%0.68878%0.782SS**  cis-147.2-176.227.139.4-16.1000118.9
218S29.3Very low30.8Very low99 Ų99125.5 Ų125.569%0.69279%0.785SS**  trans43.8139.1144.860.80000119.9
219S30.6Very low31.1Very low105 Ų105129.5 Ų129.573%0.73481%0.808SS**  cis171.9169.73124.10000106.6
220S31.7Very low31.2Very low98 Ų98132.2 Ų132.269%0.68581%0.809SS**  cis-171.5162.6-12.9-930000107.6
221F27.8Very low31.1Very low196 Ų196126.5 Ų126.586%0.8680%0.804SS**  trans41.4142.4144-79.9-110.5000121.3
222S30.1Very low31.3Very low99 Ų99127.2 Ų127.269%0.69281%0.806SS**  cis-160.6167.9-1.3-158.60000110.7
223S31.5Very low31.4Very low114 Ų114125.3 Ų125.380%0.79780%0.804SS**  trans-81.6152.9163.651.40000112.3
224A31.8Very low31.6Very low103 Ų103125.8 Ų125.885%0.85181%0.805SS**  trans-148.8132.3158.100000109.3
225I28.8Very low31.5Very low165 Ų165128.3 Ų128.385%0.84681%0.81SS**  trans-113.5136.2169.6-69.1171000107
226S28.6Very low31.7Very low117 Ų117130.4 Ų130.482%0.81881%0.809SS**  trans-143.9152.5153.858.50000110.5
227S30.1Very low31.8Very low104 Ų104124.6 Ų124.673%0.72780%0.802SS**  trans-149.5164.8177.5-68.10000106
228P34.5Very low31Very low115 Ų115126.2 Ų126.275%0.74781%0.812SS**  -90.6-179.9-118.438.1-42.5000114
229P37.6Very low31.2Very low199 Ų199128.6 Ų128.6100%1.29282%0.823SS**  -1100103.932.9-36.4000113.7

Retrieved 229 of 229 residues in 270.4 ms (Link to these results)

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