A0A077ZQ97_TRITR Loading...

NADH:ubiquinone reductase (H(+)-translocating)

Core subunit of the mitochondrial membrane respiratory chain NADH dehydrogenase (Complex I) that is believed to belong to the minimal assembly required for catalysis. Complex I functions in the transfer of electrons from NADH to the respiratory chain. The immediate electron acceptor for the enzyme is believed to be ubiquinone.

AlphaFold DB , UniProt , Accession A0A077ZQ97, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 223 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
1M49.9Very low61.4Low182 Ų18294.7 Ų94.790%0.89747%0.467SS*.  0-41.50-72.3-164.217400113.8S3 N4 R5M1-S3 PolarHBondContact O-N 3.29Å; M1-N4 PolarHBondContact O-N 3.02Å; M1-R5 PolarHBondContact O-N 3.25Å
2L56Low61.9Low132 Ų13295.8 Ų95.869%0.69148%0.475SS*.Hα-helixtrans-61.8-41.7-179-165.373.6000113.6N4 R5 I6L2-N4 VanDerWaalsContact C-N 3.28Å; L2-N4 PolarHBondContact O-N 3.35Å; L2-R5 PolarHBondContact O-N 3.41Å; L2-R5 VanDerWaalsContact O-N 3.13Å; L2-I6 HydrophobicContact CG-CD1 4.47Å; L2-I6 PolarHBondContact O-N 3.13Å
3S56.9Low62.3Low47 Ų4792.8 Ų92.833%0.32947%0.465SS..Hα-helixtrans-66.6-29.5-179.883.70000113.1M1 R7 Q49M1-S3 PolarHBondContact O-N 3.29Å; S3-R7 WeakPolarHBondContact O-CB 3.44Å; S3-R7 PolarHBondContact O-N 3Å; S3-R7 VanDerWaalsContact O-N 3.11Å; S3-Q49 PolarHBondContact OG-NE2 2.97Å; S3-Q49 PolarHBondContact OG-OE1 3.41Å
4N59.6Low62.6Low56 Ų5687.3 Ų87.330%0.29944%0.439SS..Hα-helixtrans-63.2-44172.7-74.5-4.7000110.9M1 L2 R7 D8M1-N4 PolarHBondContact O-N 3.02Å; L2-N4 VanDerWaalsContact C-N 3.28Å; L2-N4 PolarHBondContact O-N 3.35Å; N4-R7 VanDerWaalsContact CG-NH2 3.25Å; N4-R7 PolarHBondContact O-N 3.12Å; N4-R7 VanDerWaalsContact OD1-CZ 3.29Å; N4-R7 PolarHBondContact OD1-NH1 3.21Å; N4-R7 PolarHBondContact OD1-NH2 3.27Å; N4-D8 PolarHBondContact O-N 2.9Å
5R63.6Low63.1Low191 Ų19186.4 Ų86.472%0.72144%0.44SS*.Hα-helixtrans-68-43.5177.7-69.4-172.4-176-175.41.4112.8M1 L2 R7 D8 F9M1-R5 PolarHBondContact O-N 3.25Å; L2-R5 PolarHBondContact O-N 3.41Å; L2-R5 VanDerWaalsContact O-N 3.13Å; R5-R7 PolarHBondContact O-N 2.92Å; R5-D8 PolarHBondContact O-N 3.5Å; R5-F9 WeakPolarHBondContact O-CB 3.43Å; R5-F9 PolarHBondContact O-N 2.78Å
6I62.5Low63.2Low111 Ų11187.3 Ų87.357%0.56945%0.446SS*.Hα-helixtrans-56.5-36.4176.5-121.480.3000110.5L2 F9 C10L2-I6 HydrophobicContact CG-CD1 4.47Å; L2-I6 PolarHBondContact O-N 3.13Å; I6-F9 WeakPolarHBondContact O-CB 3.38Å; I6-C10 WeakPolarHBondContact O-CB 3.42Å; I6-C10 PolarHBondContact O-N 2.93Å
7R61.7Low63.2Low14 Ų1483.5 Ų83.55%0.05343%0.43CS..Hα-helixtrans-83.2-40.3-175.3-176-172.867.8-130-5112.8S3 N4 R5 F9 C10 L11 A45 K46S3-R7 WeakPolarHBondContact O-CB 3.44Å; S3-R7 PolarHBondContact O-N 3Å; S3-R7 VanDerWaalsContact O-N 3.11Å; N4-R7 VanDerWaalsContact CG-NH2 3.25Å; N4-R7 PolarHBondContact O-N 3.12Å; N4-R7 VanDerWaalsContact OD1-CZ 3.29Å; N4-R7 PolarHBondContact OD1-NH1 3.21Å; N4-R7 PolarHBondContact OD1-NH2 3.27Å; R5-R7 PolarHBondContact O-N 2.92Å; R7-F9 PolarHBondContact O-N 3.13Å; R7-C10 CarbonylContact O-C 3.59Å; R7-C10 WeakPolarHBondContact O-CB 3.13Å; R7-C10 PolarHBondContact O-N 3.27Å; R7-C10 VanDerWaalsContact O-N 3.11Å; R7-L11 WeakPolarHBondContact O-CB 3.31Å; R7-L11 PolarHBondContact O-N 2.68Å; R7-A45 HydrophobicContact CG-CB 4.37Å; R7-K46 HydrophobicContact CG-CG 4.1Å; R7-K46 VanDerWaalsContact NE-CG 3.27Å
8D65.9Low63.3Low83 Ų8383.8 Ų83.844%0.44443%0.428SS..Hα-helixtrans-62.9-35172.4-68.5-26000110.4N4 R5 L11 L12 K46N4-D8 PolarHBondContact O-N 2.9Å; R5-D8 PolarHBondContact O-N 3.5Å; D8-L11 PolarHBondContact O-N 2.91Å; D8-L12 WeakPolarHBondContact O-CB 3.06Å; D8-L12 PolarHBondContact O-N 3.23Å; D8-K46 IonicContact OD1-NZ 3.59Å
9F67.4Low63.5Low140 Ų14083.9 Ų83.961%0.61443%0.429SS*.Hα-helixtrans-60.9-48.5168178.9-99000111.9R5 I6 R7 L11 L12 T13R5-F9 WeakPolarHBondContact O-CB 3.43Å; R5-F9 PolarHBondContact O-N 2.78Å; I6-F9 WeakPolarHBondContact O-CB 3.38Å; R7-F9 PolarHBondContact O-N 3.13Å; F9-L11 VanDerWaalsContact C-N 3.29Å; F9-L11 PolarHBondContact O-N 3.37Å; F9-L12 WeakPolarHBondContact O-CB 3.41Å; F9-L12 PolarHBondContact O-N 2.95Å; F9-T13 HydrophobicContact CD1-CG2 4.49Å; F9-T13 HydrophobicContact CE1-CG2 4.03Å; F9-T13 HydrophobicContact CE2-CG2 4.43Å; F9-T13 HydrophobicContact CZ-CG2 4.01Å; F9-T13 PolarHBondContact O-N 3.46Å; F9-T13 PolarHBondContact O-OG1 3.17Å; F9-T13 VanDerWaalsContact O-OG1 3.13Å
10C67.7Low63.3Low45 Ų4585.1 Ų85.130%0.30443%0.432SS..Hα-helixtrans-61.2-37.7178.9-146.60000112.3I6 R7 T13 C14 A42I6-C10 WeakPolarHBondContact O-CB 3.42Å; I6-C10 PolarHBondContact O-N 2.93Å; R7-C10 CarbonylContact O-C 3.59Å; R7-C10 WeakPolarHBondContact O-CB 3.13Å; R7-C10 PolarHBondContact O-N 3.27Å; R7-C10 VanDerWaalsContact O-N 3.11Å; C10-T13 WeakPolarHBondContact CA-OG1 3.48Å; C10-T13 PolarHBondContact O-N 3.32Å; C10-T13 PolarHBondContact O-OG1 3.15Å; C10-C14 PolarHBondContact O-N 2.85Å; C10-C14 PolarHBondContact O-SG 2.83Å; C10-A42 HydrophobicContact CB-CB 4.45Å
11L64.4Low63Low41 Ų4183 Ų8322%0.21543%0.428CS..Hα-helixtrans-73.5-38.2176.8-135.1170000111.7R7 D8 F9 T13 C14 V15 K46R7-L11 WeakPolarHBondContact O-CB 3.31Å; R7-L11 PolarHBondContact O-N 2.68Å; D8-L11 PolarHBondContact O-N 2.91Å; F9-L11 VanDerWaalsContact C-N 3.29Å; F9-L11 PolarHBondContact O-N 3.37Å; L11-T13 VanDerWaalsContact C-N 3.32Å; L11-T13 PolarHBondContact O-N 3.38Å; L11-C14 CarbonylContact O-C 3.37Å; L11-C14 WeakPolarHBondContact O-CB 3.39Å; L11-C14 PolarHBondContact O-N 2.77Å; L11-C14 VanDerWaalsContact O-N 3.12Å; L11-V15 HydrophobicContact CD2-CG2 3.95Å; L11-V15 WeakPolarHBondContact O-CG2 3.47Å; L11-V15 PolarHBondContact O-N 2.97Å; L11-K46 HydrophobicContact CD1-CD 3.69Å
12L67.7Low63.4Low108 Ų10879.9 Ų79.957%0.56541%0.414SS*.Hα-helixtrans-59.8-45.3171-164.793000110.1D8 F9 C14 V15 L16D8-L12 WeakPolarHBondContact O-CB 3.06Å; D8-L12 PolarHBondContact O-N 3.23Å; F9-L12 WeakPolarHBondContact O-CB 3.41Å; F9-L12 PolarHBondContact O-N 2.95Å; L12-C14 VanDerWaalsContact C-N 3.26Å; L12-C14 PolarHBondContact O-N 3.44Å; L12-V15 PolarHBondContact O-N 3.3Å; L12-L16 HydrophobicContact CD2-CD1 4.11Å; L12-L16 HydrophobicContact CG-CD1 4.19Å; L12-L16 WeakPolarHBondContact O-CB 3.25Å; L12-L16 WeakPolarHBondContact O-CG 3.35Å; L12-L16 PolarHBondContact O-N 3.47Å
13T66.7Low63.5Low57 Ų5780.7 Ų80.735%0.3541%0.414SS..Hα-helixtrans-62.5-33.7174.447.90000112.3F9 C10 L11 A17F9-T13 HydrophobicContact CD1-CG2 4.49Å; F9-T13 HydrophobicContact CE1-CG2 4.03Å; F9-T13 HydrophobicContact CE2-CG2 4.43Å; F9-T13 HydrophobicContact CZ-CG2 4.01Å; F9-T13 PolarHBondContact O-N 3.46Å; F9-T13 PolarHBondContact O-OG1 3.17Å; F9-T13 VanDerWaalsContact O-OG1 3.13Å; C10-T13 WeakPolarHBondContact CA-OG1 3.48Å; C10-T13 PolarHBondContact O-N 3.32Å; C10-T13 PolarHBondContact O-OG1 3.15Å; L11-T13 VanDerWaalsContact C-N 3.32Å; L11-T13 PolarHBondContact O-N 3.38Å; T13-A17 VanDerWaalsContact O-CB 3.25Å; T13-A17 WeakPolarHBondContact O-CB 3.32Å; T13-A17 PolarHBondContact O-N 3.43Å
14C66.1Low63Low15 Ų1584.8 Ų84.810%0.10142%0.423CS..Hα-helixtrans-68.2-45.6174-71.90000112.4C10 L11 L12 L16 A17 F18 T39C10-C14 PolarHBondContact O-N 2.85Å; C10-C14 PolarHBondContact O-SG 2.83Å; L11-C14 CarbonylContact O-C 3.37Å; L11-C14 WeakPolarHBondContact O-CB 3.39Å; L11-C14 PolarHBondContact O-N 2.77Å; L11-C14 VanDerWaalsContact O-N 3.12Å; L12-C14 VanDerWaalsContact C-N 3.26Å; L12-C14 PolarHBondContact O-N 3.44Å; C14-L16 VanDerWaalsContact C-N 3.34Å; C14-A17 PolarHBondContact O-N 2.83Å; C14-F18 WeakPolarHBondContact O-CB 3.42Å; C14-F18 PolarHBondContact O-N 3.33Å; C14-T39 HydrophobicContact CB-CG2 3.86Å
15V69.9Low62.4Low74 Ų7489.9 Ų89.945%0.44845%0.445SS..Hα-helixtrans-64.2-42177.4172.50000110.2L11 L12 F18 I19L11-V15 HydrophobicContact CD2-CG2 3.95Å; L11-V15 WeakPolarHBondContact O-CG2 3.47Å; L11-V15 PolarHBondContact O-N 2.97Å; L12-V15 PolarHBondContact O-N 3.3Å; V15-F18 PolarHBondContact O-N 2.78Å; V15-I19 HydrophobicContact CG1-CD1 3.95Å; V15-I19 HydrophobicContact CG1-CG1 4.47Å; V15-I19 VanDerWaalsContact O-CG1 3.29Å; V15-I19 WeakPolarHBondContact O-CG1 3.47Å; V15-I19 PolarHBondContact O-N 2.85Å
16L64.6Low61.7Low101 Ų10190.8 Ų90.853%0.52945%0.454SS..Hα-helixtrans-61.6-44173.7-70.1170.1000111.5L12 C14 F18 I19 Q20L12-L16 HydrophobicContact CD2-CD1 4.11Å; L12-L16 HydrophobicContact CG-CD1 4.19Å; L12-L16 WeakPolarHBondContact O-CB 3.25Å; L12-L16 WeakPolarHBondContact O-CG 3.35Å; L12-L16 PolarHBondContact O-N 3.47Å; C14-L16 VanDerWaalsContact C-N 3.34Å; L16-F18 VanDerWaalsContact C-N 3.27Å; L16-F18 PolarHBondContact O-N 2.98Å; L16-I19 PolarHBondContact O-N 2.85Å; L16-Q20 WeakPolarHBondContact O-CB 3.5Å; L16-Q20 PolarHBondContact O-N 3.35Å
17A63.4Low61.2Low22 Ų2289.6 Ų89.618%0.18246%0.455CS..Hα-helixtrans-63.1-34174.600000112.3T13 C14 Q20 A21 L35T13-A17 VanDerWaalsContact O-CB 3.25Å; T13-A17 WeakPolarHBondContact O-CB 3.32Å; T13-A17 PolarHBondContact O-N 3.43Å; C14-A17 PolarHBondContact O-N 2.83Å; A17-Q20 PolarHBondContact O-N 2.99Å; A17-A21 WeakPolarHBondContact O-CB 3.21Å; A17-A21 PolarHBondContact O-N 3.49Å; A17-L35 HydrophobicContact CB-CD1 4.46Å; A17-L35 HydrophobicContact CB-CD2 4.01Å
18F65.7Low60.8Low89 Ų8991.9 Ų91.939%0.3947%0.469SS..Hα-helixtrans-72.4-40.8176.9-150-86.8000111.9C14 V15 L16 Q20 A21 I22 L75C14-F18 WeakPolarHBondContact O-CB 3.42Å; C14-F18 PolarHBondContact O-N 3.33Å; V15-F18 PolarHBondContact O-N 2.78Å; L16-F18 VanDerWaalsContact C-N 3.27Å; L16-F18 PolarHBondContact O-N 2.98Å; F18-Q20 VanDerWaalsContact C-N 3.26Å; F18-Q20 PolarHBondContact O-N 2.88Å; F18-A21 CarbonylContact O-C 3.56Å; F18-A21 PolarHBondContact O-N 3.48Å; F18-A21 VanDerWaalsContact O-N 3.12Å; F18-I22 HydrophobicContact CD1-CD1 3.72Å; F18-I22 HydrophobicContact CD1-CG1 4.02Å; F18-I22 HydrophobicContact CE1-CD1 3.97Å; F18-I22 HydrophobicContact CE1-CG1 4.1Å; F18-I22 WeakPolarHBondContact O-CG1 3.45Å; F18-I22 PolarHBondContact O-N 3.16Å; F18-L75 HydrophobicContact CD2-CD1 4.24Å; F18-L75 HydrophobicContact CD2-CD2 3.98Å; F18-L75 HydrophobicContact CD2-CG 4.33Å; F18-L75 HydrophobicContact CE1-CD1 4.32Å; F18-L75 HydrophobicContact CE2-CD1 3.51Å; F18-L75 HydrophobicContact CE2-CD2 3.98Å; F18-L75 HydrophobicContact CE2-CG 3.8Å; F18-L75 HydrophobicContact CZ-CD1 3.56Å; F18-L75 HydrophobicContact CZ-CG 4.36Å
19I66.8Low60.5Low86 Ų8691.9 Ų91.944%0.44148%0.48SS..Hα-helixtrans-59.2-43.9171.7-66.8163.6000109.4V15 L16 A21 I22 E23V15-I19 HydrophobicContact CG1-CD1 3.95Å; V15-I19 HydrophobicContact CG1-CG1 4.47Å; V15-I19 VanDerWaalsContact O-CG1 3.29Å; V15-I19 WeakPolarHBondContact O-CG1 3.47Å; V15-I19 PolarHBondContact O-N 2.85Å; L16-I19 PolarHBondContact O-N 2.85Å; I19-A21 VanDerWaalsContact C-N 3.31Å; I19-A21 PolarHBondContact O-N 3.14Å; I19-I22 PolarHBondContact O-N 3.41Å; I19-E23 PolarHBondContact O-N 3.4Å
20Q59.8Low60.3Low107 Ų10788.9 Ų88.950%0.548%0.477SS..Hα-helixtrans-62.9-37175.1-1646922.700112.2L16 A17 F18 E23 W24L16-Q20 WeakPolarHBondContact O-CB 3.5Å; L16-Q20 PolarHBondContact O-N 3.35Å; A17-Q20 PolarHBondContact O-N 2.99Å; F18-Q20 VanDerWaalsContact C-N 3.26Å; F18-Q20 PolarHBondContact O-N 2.88Å; Q20-E23 PolarHBondContact O-N 2.99Å; Q20-W24 WeakPolarHBondContact O-CB 3.35Å; Q20-W24 PolarHBondContact O-N 3.05Å
21A56.5Low60.2Low42 Ų4290.5 Ų90.535%0.34748%0.481SS..Hα-helixtrans-72.9-29.7177.200000113.2A17 F18 I19 W24A17-A21 WeakPolarHBondContact O-CB 3.21Å; A17-A21 PolarHBondContact O-N 3.49Å; F18-A21 CarbonylContact O-C 3.56Å; F18-A21 PolarHBondContact O-N 3.48Å; F18-A21 VanDerWaalsContact O-N 3.12Å; I19-A21 VanDerWaalsContact C-N 3.31Å; I19-A21 PolarHBondContact O-N 3.14Å; A21-W24 CarbonylContact O-C 3.59Å; A21-W24 VanDerWaalsContact O-O 3.08Å
22I58.3Low60.2Low117 Ų11791.2 Ų91.260%0.649%0.488SS*.Hα-helixtrans-67.4-40.6173.5-69.9165.5000110.1F18 I19F18-I22 HydrophobicContact CD1-CD1 3.72Å; F18-I22 HydrophobicContact CD1-CG1 4.02Å; F18-I22 HydrophobicContact CE1-CD1 3.97Å; F18-I22 HydrophobicContact CE1-CG1 4.1Å; F18-I22 WeakPolarHBondContact O-CG1 3.45Å; F18-I22 PolarHBondContact O-N 3.16Å; I19-I22 PolarHBondContact O-N 3.41Å
23E57.4Low60.1Low149 Ų14988.5 Ų88.570%0.69648%0.477SS*.Hα-helixtrans-75-35.8175.2-66.6-169.2175.200112.1I19 Q20 Q25I19-E23 PolarHBondContact O-N 3.4Å; Q20-E23 PolarHBondContact O-N 2.99Å; E23-Q25 VanDerWaalsContact C-N 3.3Å; E23-Q25 PolarHBondContact O-N 3.26Å
24W46.6Very low60.1Low133 Ų13393.9 Ų93.950%0.50449%0.492SS..SBendtrans-86.272.5175.9-154.3-21.9000110.4Q20 A21 F26 N28Q20-W24 WeakPolarHBondContact O-CB 3.35Å; Q20-W24 PolarHBondContact O-N 3.05Å; A21-W24 CarbonylContact O-C 3.59Å; A21-W24 VanDerWaalsContact O-O 3.08Å; W24-F26 PolarHBondContact O-N 3.49Å; W24-N28 WeakPolarHBondContact CZ2-ND2 3.45Å
25Q47.7Very low60.2Low163 Ų16396 Ų9676%0.76250%0.502SS*.  trans-36.7109.2170.9-67.8-168.3-24.200111.7E23 S27E23-Q25 VanDerWaalsContact C-N 3.3Å; E23-Q25 PolarHBondContact O-N 3.26Å; Q25-S27 WeakPolarHBondContact O-CB 3.28Å; Q25-S27 PolarHBondContact O-N 2.9Å; Q25-S27 PolarHBondContact O-OG 2.6Å
26F49.7Very low60.1Low210 Ų21094 Ų9492%0.92149%0.489SS*.SBendtrans21.918.1157.2-84.4-82.8000121.4W24W24-F26 PolarHBondContact O-N 3.49Å
27S52Low60.3Low85 Ų8592.8 Ų92.859%0.59448%0.482SS*.  trans-97-22.9-169.949.20000112.5Q25 A29Q25-S27 WeakPolarHBondContact O-CB 3.28Å; Q25-S27 PolarHBondContact O-N 2.9Å; Q25-S27 PolarHBondContact O-OG 2.6Å; S27-A29 PolarHBondContact O-N 3.22Å
28N53.5Low60.5Low62 Ų6296.2 Ų96.233%0.33250%0.496SS..  trans-100.280.2175.8-93.4-1.1000111.4W24 S30 I31 T32W24-N28 WeakPolarHBondContact CZ2-ND2 3.45Å; N28-S30 PolarHBondContact O-N 3.16Å; N28-I31 PolarHBondContact O-N 3.47Å; N28-T32 PolarHBondContact O-OG1 2.99Å
29A59.3Low60.6Low84 Ų8492.7 Ų92.769%0.69448%0.482SS*.THydrogen-bonded Turntrans-59.5-13.4173.800000114.2S27 T32 P33S27-A29 PolarHBondContact O-N 3.22Å; A29-T32 PolarHBondContact O-OG1 3.48Å; A29-P33 WeakPolarHBondContact O-CD 3.32Å
30S63.3Low60.6Low76 Ų7688.9 Ų88.953%0.53146%0.464SS..THydrogen-bonded Turntrans-84-32.9-176.756.50000114.2N28 Y34N28-S30 PolarHBondContact O-N 3.16Å; S30-Y34 WeakPolarHBondContact O-CD2 3.47Å
31I65Low61Low79 Ų7988.7 Ų88.741%0.40547%0.465SS..THydrogen-bonded Turntrans-95.6-30.4-172.2-58.9168.3000111.3N28 P33 Y34 L35N28-I31 PolarHBondContact O-N 3.47Å; I31-P33 VanDerWaalsContact C-CD 3.46Å; I31-Y34 PolarHBondContact O-N 2.97Å; I31-L35 HydrophobicContact CG2-CD1 3.91Å; I31-L35 HydrophobicContact CG2-CG 4.1Å; I31-L35 PolarHBondContact O-N 3.36Å
32T64.6Low61.6Low57 Ų5786.9 Ų86.935%0.3545%0.45SS..Hα-helixtrans-50.4-44.917937.90000114.8N28 A29 Y34 L35 L36N28-T32 PolarHBondContact O-OG1 2.99Å; A29-T32 PolarHBondContact O-OG1 3.48Å; T32-Y34 PolarHBondContact O-N 3.44Å; T32-L35 PolarHBondContact O-N 2.88Å; T32-L36 PolarHBondContact O-N 2.92Å
33P65.6Low61.9Low51 Ų5181.8 Ų81.833%0.33143%0.425SS..Hα-helixtrans-67.8-36.6-177.725.7-35.2000112.9A29 I31 L36 I37A29-P33 WeakPolarHBondContact O-CD 3.32Å; I31-P33 VanDerWaalsContact C-CD 3.46Å; P33-L36 PolarHBondContact O-N 2.85Å; P33-I37 WeakPolarHBondContact O-CG1 3.41Å; P33-I37 PolarHBondContact O-N 3.2Å
34Y67.2Low62.4Low169 Ų16976.6 Ų76.666%0.66340%0.402SS*.Hα-helixtrans-65.8-41178.3-70.9-73.8000111.7S30 I31 T32 L36 I37 L38S30-Y34 WeakPolarHBondContact O-CD2 3.47Å; I31-Y34 PolarHBondContact O-N 2.97Å; T32-Y34 PolarHBondContact O-N 3.44Å; Y34-L36 VanDerWaalsContact C-N 3.34Å; Y34-I37 PolarHBondContact O-N 3.08Å; Y34-L38 WeakPolarHBondContact O-CG 3.48Å; Y34-L38 PolarHBondContact O-N 2.59Å; Y34-L38 VanDerWaalsContact O-N 3.1Å
35L68Low63.3Low61 Ų6171.9 Ų71.932%0.31939%0.391SS..Hα-helixtrans-63.9-41.7175-67.9175.8000111.1A17 I31 T32 I37 L38 T39A17-L35 HydrophobicContact CB-CD1 4.46Å; A17-L35 HydrophobicContact CB-CD2 4.01Å; I31-L35 HydrophobicContact CG2-CD1 3.91Å; I31-L35 HydrophobicContact CG2-CG 4.1Å; I31-L35 PolarHBondContact O-N 3.36Å; T32-L35 PolarHBondContact O-N 2.88Å; L35-I37 PolarHBondContact O-N 3.41Å; L35-L38 PolarHBondContact O-N 3.45Å; L35-T39 WeakPolarHBondContact O-CG2 3.16Å; L35-T39 PolarHBondContact O-N 3.38Å
36L67.2Low63.9Low32 Ų3265.3 Ų65.317%0.16836%0.36CS..Hα-helixtrans-62.8-42.7178.6-154.3108.2000111.6T32 P33 Y34 L38 T39 G40 C76 E78 L81T32-L36 PolarHBondContact O-N 2.92Å; P33-L36 PolarHBondContact O-N 2.85Å; Y34-L36 VanDerWaalsContact C-N 3.34Å; L36-L38 VanDerWaalsContact C-N 3.35Å; L36-L38 PolarHBondContact O-N 2.87Å; L36-T39 WeakPolarHBondContact CA-OG1 3.27Å; L36-T39 PolarHBondContact O-N 3.29Å; L36-T39 PolarHBondContact O-OG1 3.35Å; L36-G40 PolarHBondContact O-N 3.41Å; L36-C76 HydrophobicContact CD2-CB 4.48Å; L36-E78 HydrophobicContact CD2-CB 3.93Å; L36-L81 HydrophobicContact CD2-CD2 4.44Å
37I68.3Low64.3Low75 Ų7555.9 Ų55.939%0.38532%0.322SS..Hα-helixtrans-61.3-44.1175.9-68.4166.2000111.1P33 Y34 L35 T39 G40 I41 L81P33-I37 WeakPolarHBondContact O-CG1 3.41Å; P33-I37 PolarHBondContact O-N 3.2Å; Y34-I37 PolarHBondContact O-N 3.08Å; L35-I37 PolarHBondContact O-N 3.41Å; I37-T39 VanDerWaalsContact C-N 3.31Å; I37-T39 PolarHBondContact O-N 3.25Å; I37-G40 PolarHBondContact O-N 2.97Å; I37-I41 HydrophobicContact CG2-CD1 3.87Å; I37-I41 WeakPolarHBondContact O-CG1 3.25Å; I37-I41 PolarHBondContact O-N 3.45Å; I37-L81 HydrophobicContact CG1-CD1 3.94Å
38L69Low64.6Low94 Ų9454.7 Ų54.749%0.49232%0.317SS..Hα-helixtrans-60.4-42.1176.5-74.1167.2000111.4Y34 L35 L36 I41 A42Y34-L38 WeakPolarHBondContact O-CG 3.48Å; Y34-L38 PolarHBondContact O-N 2.59Å; Y34-L38 VanDerWaalsContact O-N 3.1Å; L35-L38 PolarHBondContact O-N 3.45Å; L36-L38 VanDerWaalsContact C-N 3.35Å; L36-L38 PolarHBondContact O-N 2.87Å; L38-I41 PolarHBondContact O-N 3.28Å; L38-A42 WeakPolarHBondContact O-CB 3.34Å; L38-A42 PolarHBondContact O-N 3.11Å
39T67Low65Low15 Ų1555.1 Ų55.19%0.09232%0.317CS..Hα-helixtrans-65.1-40.2176.6670000111.8C14 L35 L36 I37 A42 T43 C76C14-T39 HydrophobicContact CB-CG2 3.86Å; L35-T39 WeakPolarHBondContact O-CG2 3.16Å; L35-T39 PolarHBondContact O-N 3.38Å; L36-T39 WeakPolarHBondContact CA-OG1 3.27Å; L36-T39 PolarHBondContact O-N 3.29Å; L36-T39 PolarHBondContact O-OG1 3.35Å; I37-T39 VanDerWaalsContact C-N 3.31Å; I37-T39 PolarHBondContact O-N 3.25Å; T39-A42 PolarHBondContact O-N 3.47Å; T39-T43 VanDerWaalsContact O-CG2 3.23Å; T39-T43 WeakPolarHBondContact O-CG2 3.38Å; T39-T43 PolarHBondContact O-N 3.13Å; T39-T43 VanDerWaalsContact O-N 3.11Å; T39-T43 PolarHBondContact O-OG1 3.22Å; T39-C76 PolarHBondContact OG1-SG 3.37Å; T39-C76 VanDerWaalsContact OG1-SG 3.39Å
40G65.9Low64.9Low6 Ų653.2 Ų53.26%0.06230%0.295CS..Hα-helixtrans-55.1-56.217300000110.6L36 I37 A42 T43 L44L36-G40 PolarHBondContact O-N 3.41Å; I37-G40 PolarHBondContact O-N 2.97Å; G40-A42 VanDerWaalsContact C-N 3.32Å; G40-A42 PolarHBondContact O-N 3.4Å; G40-T43 PolarHBondContact O-N 2.89Å; G40-T43 VanDerWaalsContact O-N 3.16Å; G40-T43 PolarHBondContact O-OG1 3.31Å; G40-L44 VanDerWaalsContact O-CG 3.29Å; G40-L44 WeakPolarHBondContact O-CG 3.5Å; G40-L44 PolarHBondContact O-N 2.99Å
41I68.3Low64.4Low102 Ų10251 Ų5152%0.52328%0.279SS..Hα-helixtrans-58.9-42.4-178.7-63.1162.7000111.9I37 L38 T43 L44 A45I37-I41 HydrophobicContact CG2-CD1 3.87Å; I37-I41 WeakPolarHBondContact O-CG1 3.25Å; I37-I41 PolarHBondContact O-N 3.45Å; L38-I41 PolarHBondContact O-N 3.28Å; I41-T43 VanDerWaalsContact C-N 3.31Å; I41-T43 PolarHBondContact O-N 2.93Å; I41-L44 PolarHBondContact O-N 3.32Å; I41-A45 PolarHBondContact O-N 3.32Å
42A68.9Low63.8Low4 Ų452.5 Ų52.53%0.03329%0.288CS..Hα-helixtrans-61-39.2179.700000112.5C10 L38 T39 G40C10-A42 HydrophobicContact CB-CB 4.45Å; L38-A42 WeakPolarHBondContact O-CB 3.34Å; L38-A42 PolarHBondContact O-N 3.11Å; T39-A42 PolarHBondContact O-N 3.47Å; G40-A42 VanDerWaalsContact C-N 3.32Å; G40-A42 PolarHBondContact O-N 3.4Å
43T66.1Low62.9Low11 Ų1156.4 Ų56.47%0.06730%0.302CS..Hα-helixtrans-73.7-38.3179.464.50000111.6T39 G40 I41 A45 K46 G72T39-T43 VanDerWaalsContact O-CG2 3.23Å; T39-T43 WeakPolarHBondContact O-CG2 3.38Å; T39-T43 PolarHBondContact O-N 3.13Å; T39-T43 VanDerWaalsContact O-N 3.11Å; T39-T43 PolarHBondContact O-OG1 3.22Å; G40-T43 PolarHBondContact O-N 2.89Å; G40-T43 VanDerWaalsContact O-N 3.16Å; G40-T43 PolarHBondContact O-OG1 3.31Å; I41-T43 VanDerWaalsContact C-N 3.31Å; I41-T43 PolarHBondContact O-N 2.93Å; T43-A45 VanDerWaalsContact C-N 3.29Å; T43-A45 PolarHBondContact O-N 3.05Å; T43-K46 PolarHBondContact O-N 2.98Å; T43-G72 VanDerWaalsContact CG2-CA 3.41Å
44L66.3Low61.7Low39 Ų3960.2 Ų60.220%0.20432%0.324CS..Hα-helixtrans-61.1-38.6174.5-61.6-172000112.1G40 I41 K46 G47G40-L44 VanDerWaalsContact O-CG 3.29Å; G40-L44 WeakPolarHBondContact O-CG 3.5Å; G40-L44 PolarHBondContact O-N 2.99Å; I41-L44 PolarHBondContact O-N 3.32Å; L44-K46 VanDerWaalsContact C-N 3.29Å; L44-K46 PolarHBondContact O-N 3.28Å; L44-G47 PolarHBondContact O-N 2.83Å
45A65.8Low60.6Low35 Ų3554 Ų5429%0.28931%0.308SS..Hα-helixtrans-66.4-27.4179.400000113.4R7 I41 T43 Q49R7-A45 HydrophobicContact CG-CB 4.37Å; I41-A45 PolarHBondContact O-N 3.32Å; T43-A45 VanDerWaalsContact C-N 3.29Å; T43-A45 PolarHBondContact O-N 3.05Å; A45-Q49 WeakPolarHBondContact O-CG 3.3Å
46K61.6Low59.6Low25 Ų2557.6 Ų57.611%0.10934%0.335CS..Hα-helixtrans-66.7-47.6175.2-90.1-167.8167.6-177.60111R7 D8 L11 T43 L44 A48 Q49 I50 I68 V69R7-K46 HydrophobicContact CG-CG 4.1Å; R7-K46 VanDerWaalsContact NE-CG 3.27Å; D8-K46 IonicContact OD1-NZ 3.59Å; L11-K46 HydrophobicContact CD1-CD 3.69Å; T43-K46 PolarHBondContact O-N 2.98Å; L44-K46 VanDerWaalsContact C-N 3.29Å; L44-K46 PolarHBondContact O-N 3.28Å; K46-A48 VanDerWaalsContact C-N 3.34Å; K46-A48 PolarHBondContact O-N 3.42Å; K46-Q49 PolarHBondContact O-N 3.5Å; K46-I50 HydrophobicContact CB-CD1 4.34Å; K46-I50 VanDerWaalsContact O-CD1 3.29Å; K46-I50 WeakPolarHBondContact O-CD1 3.36Å; K46-I50 WeakPolarHBondContact O-CG1 3.32Å; K46-I68 HydrophobicContact CD-CB 4.41Å; K46-I68 HydrophobicContact CD-CG2 3.48Å; K46-I68 VanDerWaalsContact CD-CG2 3.48Å; K46-V69 HydrophobicContact CB-CG2 4.3Å
47G58.2Low59.4Low11 Ų1159.7 Ų59.711%0.11335%0.349CS..Hα-helixtrans-60.1-40.2-173.100000114L44L44-G47 PolarHBondContact O-N 2.83Å
48A57.8Low59Low60 Ų6059.6 Ų59.650%0.49635%0.349SS..Hα-helixtrans-76.2-26.8-176.100000114.1K46 F96K46-A48 VanDerWaalsContact C-N 3.34Å; K46-A48 PolarHBondContact O-N 3.42Å; A48-F96 HydrophobicContact CB-CZ 4.42Å
49Q62.7Low58.6Low72 Ų7258 Ų5834%0.33634%0.343SS..Hα-helixtrans-93.1-15.6-166.8-70.6-177.3-7.900114.7S3 A45 K46S3-Q49 PolarHBondContact OG-NE2 2.97Å; S3-Q49 PolarHBondContact OG-OE1 3.41Å; A45-Q49 WeakPolarHBondContact O-CG 3.3Å; K46-Q49 PolarHBondContact O-N 3.5Å
50I56.3Low58.3Low43 Ų4360.2 Ų60.222%0.22136%0.359CS..THydrogen-bonded Turntrans-85.3-14-164.9-69.2162.3000113.9K46 L52 S61 S65K46-I50 HydrophobicContact CB-CD1 4.34Å; K46-I50 VanDerWaalsContact O-CD1 3.29Å; K46-I50 WeakPolarHBondContact O-CD1 3.36Å; K46-I50 WeakPolarHBondContact O-CG1 3.32Å; I50-L52 PolarHBondContact O-N 2.97Å; I50-L52 VanDerWaalsContact O-N 3.1Å; I50-S61 WeakPolarHBondContact CG2-O 2.92Å; I50-S65 WeakPolarHBondContact CD1-OG 3.34Å
51S51.6Low58.1Low30 Ų3061.5 Ų61.521%0.2137%0.367CS..THydrogen-bonded Turntrans-64.6-17.1-179.7-175.30000115.2A111S51-A111 WeakPolarHBondContact OG-CB 3.35Å
52L53Low57.9Low111 Ų11158.2 Ų58.258%0.58135%0.35SS*.SBendtrans-112.8-17.9-159.1-93.1156.8000117.1I50I50-L52 PolarHBondContact O-N 2.97Å; I50-L52 VanDerWaalsContact O-N 3.1Å
53H45.4Very low57.5Low138 Ų13861.8 Ų61.864%0.63937%0.371SS*.SBendtrans-137.2100.4-167.8-66.7-82.9000113.7
54T40.7Very low57.5Low131 Ų13162.6 Ų62.680%0.80438%0.382SS*.  trans63.767.1143.664.40000118.3
55A43.7Very low57.4Low40 Ų4061.4 Ų61.433%0.33138%0.377SS..  trans-113.4146.716200000111.3T57 S61A55-T57 PolarHBondContact O-N 3.14Å; A55-T57 VanDerWaalsContact O-N 3.14Å; A55-S61 WeakPolarHBondContact CB-OG 3.28Å
56P48.3Very low57.7Low135 Ų13561.6 Ų61.688%0.87738%0.376SS*.SBendtrans-68.1-15.7-172.526.6-32.8000113.1
57T63.3Low58.3Low77 Ų7764 Ų6447%0.47239%0.393SS..SBendtrans-139.9124.6165.148.40000108.9A55 V59 S60A55-T57 PolarHBondContact O-N 3.14Å; A55-T57 VanDerWaalsContact O-N 3.14Å; T57-V59 PolarHBondContact O-N 2.83Å; T57-S60 PolarHBondContact O-N 3.44Å; T57-S60 PolarHBondContact O-OG 3.14Å; T57-S60 WeakPolarHBondContact OG1-CB 3.3Å; T57-S60 PolarHBondContact OG1-OG 3.23Å
58I59.1Low58.8Low73 Ų7366.7 Ų66.737%0.37440%0.404SS..Hα-helixtrans-44.7-40.1175.3-68.8167.5000110.5S61 L62 K107I58-S61 PolarHBondContact O-OG 3.44Å; I58-L62 VanDerWaalsContact O-CB 3.27Å; I58-L62 WeakPolarHBondContact O-CB 3.13Å; I58-L62 PolarHBondContact O-N 3.35Å; I58-K107 HydrophobicContact CD1-CB 4.26Å; I58-K107 HydrophobicContact CD1-CD 3.98Å; I58-K107 HydrophobicContact CD1-CG 3.99Å
59V60.8Low59.4Low61 Ų6164 Ų6437%0.3738%0.382SS..Hα-helixtrans-59.9-49.8180-1740000113.3T57 S61 L62 V63 F148T57-V59 PolarHBondContact O-N 2.83Å; V59-S61 PolarHBondContact O-N 2.74Å; V59-L62 WeakPolarHBondContact O-CB 3.26Å; V59-L62 PolarHBondContact O-N 3.35Å; V59-V63 HydrophobicContact CG1-CG2 4.23Å; V59-V63 WeakPolarHBondContact O-CG2 3.49Å; V59-V63 PolarHBondContact O-N 2.94Å; V59-F148 HydrophobicContact CG2-CE1 4.31Å; V59-F148 HydrophobicContact CG2-CE2 3.4Å; V59-F148 VanDerWaalsContact CG2-CE2 3.4Å; V59-F148 HydrophobicContact CG2-CZ 3.22Å
60S61.3Low60Low61 Ų6162.2 Ų62.243%0.42738%0.375SS..Hα-helixtrans-67.6-42.1-172.458.50000111.7T57 L62 G64T57-S60 PolarHBondContact O-N 3.44Å; T57-S60 PolarHBondContact O-OG 3.14Å; T57-S60 WeakPolarHBondContact OG1-CB 3.3Å; T57-S60 PolarHBondContact OG1-OG 3.23Å; S60-L62 VanDerWaalsContact C-N 3.26Å; S60-L62 PolarHBondContact O-N 3.38Å; S60-G64 PolarHBondContact O-N 3.39Å
61S60.5Low60.6Low33 Ų3363 Ų6323%0.23139%0.388CS..Hα-helixtrans-61.3-37173.341.50000112.7I50 A55 I58 V59 S65I50-S61 WeakPolarHBondContact CG2-O 2.92Å; A55-S61 WeakPolarHBondContact CB-OG 3.28Å; I58-S61 PolarHBondContact O-OG 3.44Å; V59-S61 PolarHBondContact O-N 2.74Å; S61-S65 WeakPolarHBondContact O-CB 3.35Å; S61-S65 PolarHBondContact O-N 3.19Å
62L64.5Low61.4Low33 Ų3362 Ų6217%0.17338%0.384CS..Hα-helixtrans-72.1-54.1-175.5-156.889.1000111.3I58 V59 S60 S65 S66 A111 T114I58-L62 VanDerWaalsContact O-CB 3.27Å; I58-L62 WeakPolarHBondContact O-CB 3.13Å; I58-L62 PolarHBondContact O-N 3.35Å; V59-L62 WeakPolarHBondContact O-CB 3.26Å; V59-L62 PolarHBondContact O-N 3.35Å; S60-L62 VanDerWaalsContact C-N 3.26Å; S60-L62 PolarHBondContact O-N 3.38Å; L62-S65 WeakPolarHBondContact O-CB 3.46Å; L62-S65 PolarHBondContact O-N 3.4Å; L62-S66 PolarHBondContact O-N 2.98Å; L62-S66 PolarHBondContact O-OG 3.25Å; L62-A111 HydrophobicContact CD1-CB 4.23Å; L62-T114 VanDerWaalsContact CD1-OG1 3.26Å; L62-T114 WeakPolarHBondContact CD1-OG1 3.47Å; L62-T114 HydrophobicContact CD2-CG2 3.46Å; L62-T114 VanDerWaalsContact CD2-CG2 3.46Å; L62-T114 VanDerWaalsContact CD2-OG1 3.26Å; L62-T114 WeakPolarHBondContact CD2-OG1 3.46Å; L62-T114 HydrophobicContact CG-CG2 4.47Å; L62-T114 WeakPolarHBondContact CG-OG1 3.28Å
63V61.6Low62.2Low78 Ų7857.2 Ų57.247%0.47336%0.359SS..Hα-helixtrans-65.8-47.3-177.5177.40000109.6V59 S65 S66 T67V59-V63 HydrophobicContact CG1-CG2 4.23Å; V59-V63 WeakPolarHBondContact O-CG2 3.49Å; V59-V63 PolarHBondContact O-N 2.94Å; V63-S65 VanDerWaalsContact C-N 3.29Å; V63-S65 PolarHBondContact O-N 3.4Å; V63-S66 PolarHBondContact O-N 3.29Å; V63-S66 PolarHBondContact O-OG 3.27Å; V63-T67 HydrophobicContact CG1-CG2 4.35Å; V63-T67 WeakPolarHBondContact O-CG2 3.35Å; V63-T67 PolarHBondContact O-N 3.42Å; V63-T67 PolarHBondContact O-OG1 3.25Å
64G66Low63.3Low29 Ų2954.9 Ų54.930%0.29935%0.35SS..Hα-helixtrans-60.8-36.2177.700000113.2S60 T67 I68S60-G64 PolarHBondContact O-N 3.39Å; G64-T67 PolarHBondContact O-OG1 2.93Å; G64-T67 VanDerWaalsContact O-OG1 3.09Å; G64-I68 VanDerWaalsContact O-CD1 3.29Å; G64-I68 WeakPolarHBondContact O-CD1 3.29Å; G64-I68 VanDerWaalsContact O-CG1 3.23Å; G64-I68 WeakPolarHBondContact O-CG1 3.33Å; G64-I68 PolarHBondContact O-N 3.26Å
65S63.5Low64.4Low13 Ų1352.7 Ų52.79%0.09133%0.333CS..Hα-helixtrans-64.1-53172.5178.60000111.6I50 S61 L62 V63 T67 I68 V69I50-S65 WeakPolarHBondContact CD1-OG 3.34Å; S61-S65 WeakPolarHBondContact O-CB 3.35Å; S61-S65 PolarHBondContact O-N 3.19Å; L62-S65 WeakPolarHBondContact O-CB 3.46Å; L62-S65 PolarHBondContact O-N 3.4Å; V63-S65 VanDerWaalsContact C-N 3.29Å; V63-S65 PolarHBondContact O-N 3.4Å; S65-T67 VanDerWaalsContact C-N 3.31Å; S65-T67 PolarHBondContact O-N 3.45Å; S65-I68 PolarHBondContact O-N 2.84Å; S65-V69 WeakPolarHBondContact O-CG2 3.48Å; S65-V69 PolarHBondContact O-N 2.94Å
66S71.4Confident65.2Low39 Ų3950.9 Ų50.927%0.27332%0.318SS..Hα-helixtrans-60.2-40-175.1670000112.4L62 V63 V69 V70L62-S66 PolarHBondContact O-N 2.98Å; L62-S66 PolarHBondContact O-OG 3.25Å; V63-S66 PolarHBondContact O-N 3.29Å; V63-S66 PolarHBondContact O-OG 3.27Å; S66-V69 PolarHBondContact O-N 3.47Å; S66-V70 WeakPolarHBondContact O-CG2 3.49Å; S66-V70 PolarHBondContact O-N 3Å
67T74.3Confident65.8Low77 Ų7747.5 Ų47.547%0.47229%0.292SS..Hα-helixtrans-67.3-38.1178.855.10000112.1V63 G64 S65 V70 A71V63-T67 HydrophobicContact CG1-CG2 4.35Å; V63-T67 WeakPolarHBondContact O-CG2 3.35Å; V63-T67 PolarHBondContact O-N 3.42Å; V63-T67 PolarHBondContact O-OG1 3.25Å; G64-T67 PolarHBondContact O-OG1 2.93Å; G64-T67 VanDerWaalsContact O-OG1 3.09Å; S65-T67 VanDerWaalsContact C-N 3.31Å; S65-T67 PolarHBondContact O-N 3.45Å; T67-V70 PolarHBondContact O-N 3.47Å; T67-A71 VanDerWaalsContact O-CB 3.29Å; T67-A71 WeakPolarHBondContact O-CB 3.37Å; T67-A71 PolarHBondContact O-N 3.41Å
68I69.1Low65.7Low67 Ų6748 Ų4834%0.34429%0.289SS..Hα-helixtrans-66.8-38.6176.1-65.7165.6000111K46 G64 S65 G72K46-I68 HydrophobicContact CD-CB 4.41Å; K46-I68 HydrophobicContact CD-CG2 3.48Å; K46-I68 VanDerWaalsContact CD-CG2 3.48Å; G64-I68 VanDerWaalsContact O-CD1 3.29Å; G64-I68 WeakPolarHBondContact O-CD1 3.29Å; G64-I68 VanDerWaalsContact O-CG1 3.23Å; G64-I68 WeakPolarHBondContact O-CG1 3.33Å; G64-I68 PolarHBondContact O-N 3.26Å; S65-I68 PolarHBondContact O-N 2.84Å; I68-G72 PolarHBondContact O-N 2.98Å
69V69.6Low65.6Low3 Ų348.8 Ų48.82%0.01830%0.298CS..Hα-helixtrans-66.6-41.3176.7-175.10000110.6K46 S65 S66 G72 T73 I122K46-V69 HydrophobicContact CB-CG2 4.3Å; S65-V69 WeakPolarHBondContact O-CG2 3.48Å; S65-V69 PolarHBondContact O-N 2.94Å; S66-V69 PolarHBondContact O-N 3.47Å; V69-G72 PolarHBondContact O-N 3.35Å; V69-T73 WeakPolarHBondContact O-CB 3.06Å; V69-T73 WeakPolarHBondContact O-CG2 3.18Å; V69-T73 PolarHBondContact O-N 3.37Å; V69-T73 PolarHBondContact O-OG1 3.34Å; V69-I122 HydrophobicContact CB-CD1 4.39Å; V69-I122 HydrophobicContact CG1-CD1 3.42Å; V69-I122 VanDerWaalsContact CG1-CD1 3.42Å
70V75.1Confident65.6Low34 Ų3452.8 Ų52.821%0.20632%0.318CS..Hα-helixtrans-65.2-47.9175.4173.90000111.2S66 T67 G72 T73 I74 I122 I125S66-V70 WeakPolarHBondContact O-CG2 3.49Å; S66-V70 PolarHBondContact O-N 3Å; T67-V70 PolarHBondContact O-N 3.47Å; V70-G72 VanDerWaalsContact C-N 3.31Å; V70-G72 PolarHBondContact O-N 3.26Å; V70-T73 WeakPolarHBondContact CA-OG1 3.35Å; V70-T73 PolarHBondContact O-N 2.93Å; V70-T73 PolarHBondContact O-OG1 3.08Å; V70-I74 HydrophobicContact CG1-CD1 3.75Å; V70-I74 HydrophobicContact CG1-CG1 4.43Å; V70-I74 VanDerWaalsContact O-CG1 3.27Å; V70-I74 WeakPolarHBondContact O-CG1 3.41Å; V70-I74 PolarHBondContact O-N 3.4Å; V70-I122 HydrophobicContact CG2-CG1 4.22Å; V70-I125 HydrophobicContact CG1-CD1 3.91Å
71A70.1Confident65.7Low59 Ų5952.2 Ų52.249%0.48831%0.31SS..Hα-helixtrans-60.2-41.8177.300000112.1T67 I74 L75T67-A71 VanDerWaalsContact O-CB 3.29Å; T67-A71 WeakPolarHBondContact O-CB 3.37Å; T67-A71 PolarHBondContact O-N 3.41Å; A71-I74 PolarHBondContact O-N 3.41Å; A71-L75 PolarHBondContact O-N 3.37Å; A71-L75 VanDerWaalsContact O-N 3.08Å
72G69.1Low66.1Low11 Ų1151.5 Ų51.511%0.11330%0.303CS..Hα-helixtrans-65.8-37.7177.800000113.7T43 I68 V69 V70 L75 C76T43-G72 VanDerWaalsContact CG2-CA 3.41Å; I68-G72 PolarHBondContact O-N 2.98Å; V69-G72 PolarHBondContact O-N 3.35Å; V70-G72 VanDerWaalsContact C-N 3.31Å; V70-G72 PolarHBondContact O-N 3.26Å; G72-L75 WeakPolarHBondContact O-CB 3.47Å; G72-L75 PolarHBondContact O-N 3.45Å; G72-C76 PolarHBondContact O-N 2.99Å; G72-C76 PolarHBondContact O-SG 3.27Å
73T68.5Low66.3Low10 Ų1057.9 Ų57.96%0.06133%0.326CS..Hα-helixtrans-74-34.9176.445.30000112.1V69 V70 L75 C76 I77 I122V69-T73 WeakPolarHBondContact O-CB 3.06Å; V69-T73 WeakPolarHBondContact O-CG2 3.18Å; V69-T73 PolarHBondContact O-N 3.37Å; V69-T73 PolarHBondContact O-OG1 3.34Å; V70-T73 WeakPolarHBondContact CA-OG1 3.35Å; V70-T73 PolarHBondContact O-N 2.93Å; V70-T73 PolarHBondContact O-OG1 3.08Å; T73-L75 VanDerWaalsContact C-N 3.26Å; T73-L75 PolarHBondContact O-N 3.29Å; T73-C76 PolarHBondContact O-N 3.04Å; T73-I77 WeakPolarHBondContact O-CG1 3.44Å; T73-I122 HydrophobicContact CG2-CD1 4.33Å; T73-I122 HydrophobicContact CG2-CG1 4.45Å; T73-I122 HydrophobicContact CG2-CG2 3.61Å
74I69Low66.8Low89 Ų8961.2 Ų61.246%0.45634%0.335SS..Hα-helixtrans-60-38.1170.7-68.4166.2000111.3V70 A71 C76 I77 I125V70-I74 HydrophobicContact CG1-CD1 3.75Å; V70-I74 HydrophobicContact CG1-CG1 4.43Å; V70-I74 VanDerWaalsContact O-CG1 3.27Å; V70-I74 WeakPolarHBondContact O-CG1 3.41Å; V70-I74 PolarHBondContact O-N 3.4Å; A71-I74 PolarHBondContact O-N 3.41Å; I74-C76 PolarHBondContact O-N 3.47Å; I74-I77 HydrophobicContact CB-CD1 4.25Å; I74-I77 HydrophobicContact CG1-CD1 4.3Å; I74-I77 HydrophobicContact CG2-CD1 4.24Å; I74-I77 WeakPolarHBondContact O-CG1 3.44Å; I74-I77 PolarHBondContact O-N 3.06Å; I74-I125 HydrophobicContact CG1-CG2 4.3Å
75L63Low67.3Low84 Ų8460.8 Ų60.844%0.4433%0.325SS..Hα-helixtrans-63.7-29.1175.3-163.371000112.8F18 A71 G72 T73F18-L75 HydrophobicContact CD2-CD1 4.24Å; F18-L75 HydrophobicContact CD2-CD2 3.98Å; F18-L75 HydrophobicContact CD2-CG 4.33Å; F18-L75 HydrophobicContact CE1-CD1 4.32Å; F18-L75 HydrophobicContact CE2-CD1 3.51Å; F18-L75 HydrophobicContact CE2-CD2 3.98Å; F18-L75 HydrophobicContact CE2-CG 3.8Å; F18-L75 HydrophobicContact CZ-CD1 3.56Å; F18-L75 HydrophobicContact CZ-CG 4.36Å; A71-L75 PolarHBondContact O-N 3.37Å; A71-L75 VanDerWaalsContact O-N 3.08Å; G72-L75 WeakPolarHBondContact O-CB 3.47Å; G72-L75 PolarHBondContact O-N 3.45Å; T73-L75 VanDerWaalsContact C-N 3.26Å; T73-L75 PolarHBondContact O-N 3.29Å
76C61.7Low68Low2 Ų261.3 Ų61.31%0.01433%0.327CS..THydrogen-bonded Turntrans-91.611.6-177.9-590000113.7L36 T39 G72 T73 I74 E78L36-C76 HydrophobicContact CD2-CB 4.48Å; T39-C76 PolarHBondContact OG1-SG 3.37Å; T39-C76 VanDerWaalsContact OG1-SG 3.39Å; G72-C76 PolarHBondContact O-N 2.99Å; G72-C76 PolarHBondContact O-SG 3.27Å; T73-C76 PolarHBondContact O-N 3.04Å; I74-C76 PolarHBondContact O-N 3.47Å; C76-E78 PolarHBondContact O-N 2.79Å
77I60.8Low68.4Low65 Ų6566.9 Ų66.933%0.33334%0.343SS..  trans-74.879-180-59.8173.2000109.1T73 I74 L82 I125T73-I77 WeakPolarHBondContact O-CG1 3.44Å; I74-I77 HydrophobicContact CB-CD1 4.25Å; I74-I77 HydrophobicContact CG1-CD1 4.3Å; I74-I77 HydrophobicContact CG2-CD1 4.24Å; I74-I77 WeakPolarHBondContact O-CG1 3.44Å; I74-I77 PolarHBondContact O-N 3.06Å; I77-L82 HydrophobicContact CG2-CD1 4.3Å; I77-L82 HydrophobicContact CG2-CD2 4.28Å; I77-I125 HydrophobicContact CD1-CG2 3.93Å
78E60.7Low68.8Low87 Ų8765.6 Ų65.641%0.40733%0.333SS..  trans-107.7129.2161.9-159.8169.7-158.500107.6L36 C76 N80 L81L36-E78 HydrophobicContact CD2-CB 3.93Å; C76-E78 PolarHBondContact O-N 2.79Å; E78-N80 PolarHBondContact O-N 3.06Å; E78-L81 PolarHBondContact O-N 3.37Å
79P58.1Low69.6Low89 Ų8963.5 Ų63.558%0.57832%0.321SS*.THydrogen-bonded Turntrans-56.4-30.2-162.518.6-32.4000114.5
80N60.1Low70.2Confident146 Ų14666 Ų6678%0.78133%0.33SS*.THydrogen-bonded Turntrans-79-28.4-177.2-68.5-19.1000113.5E78 L82E78-N80 PolarHBondContact O-N 3.06Å; N80-L82 VanDerWaalsContact C-N 3.31Å
81L63.1Low70.7Confident48 Ų4870.6 Ų70.625%0.25135%0.348SS..THydrogen-bonded Turntrans-82.9-12.2-178.6-141.3106.4000112.7L36 I37 E78 Y83 L85L36-L81 HydrophobicContact CD2-CD2 4.44Å; I37-L81 HydrophobicContact CG1-CD1 3.94Å; E78-L81 PolarHBondContact O-N 3.37Å; L81-Y83 PolarHBondContact O-N 3.43Å; L81-L85 HydrophobicContact CD2-CD1 3.74Å; L81-L85 HydrophobicContact CD2-CG 4.06Å; L81-L85 WeakPolarHBondContact O-CG 3.11Å; L81-L85 PolarHBondContact O-N 3.39Å
82L68.2Low71.4Confident19 Ų1969.4 Ų69.410%0.09933%0.334CS..Hα-helixtrans-64.1-39.1-174.7-66.5176.4000112.7I77 N80 F84 L85 L86 C126I77-L82 HydrophobicContact CG2-CD1 4.3Å; I77-L82 HydrophobicContact CG2-CD2 4.28Å; N80-L82 VanDerWaalsContact C-N 3.31Å; L82-F84 PolarHBondContact O-N 3.19Å; L82-L85 PolarHBondContact O-N 3.02Å; L82-L86 WeakPolarHBondContact O-CB 3.4Å; L82-L86 WeakPolarHBondContact O-CD1 3.32Å; L82-L86 WeakPolarHBondContact O-CG 3.27Å; L82-L86 PolarHBondContact O-N 3.37Å; L82-C126 HydrophobicContact CD2-CB 4.07Å
83Y69.3Low72.2Confident166 Ų16668.9 Ų68.965%0.65133%0.329SS*.Hα-helixtrans-62.8-45-175.2-68.9-70.6000113.1L81 L86 Y87L81-Y83 PolarHBondContact O-N 3.43Å; Y83-L86 PolarHBondContact O-N 3.25Å; Y83-Y87 WeakPolarHBondContact O-CD2 3.3Å
84F73Confident73Confident149 Ų14971 Ų7165%0.65434%0.339SS*.Hα-helixtrans-70-40.6179.3-174.2-112.4000111.5L82 L86 I88L82-F84 PolarHBondContact O-N 3.19Å; F84-L86 VanDerWaalsContact C-N 3.34Å; F84-L86 PolarHBondContact O-N 2.62Å; F84-I88 HydrophobicContact CD1-CD1 3.5Å; F84-I88 HydrophobicContact CE1-CD1 3.17Å; F84-I88 HydrophobicContact CE1-CG1 4.34Å; F84-I88 HydrophobicContact CE2-CD1 4.25Å; F84-I88 HydrophobicContact CG-CD1 4.2Å; F84-I88 HydrophobicContact CZ-CD1 3.59Å; F84-I88 HydrophobicContact CZ-CG1 4.39Å; F84-I88 WeakPolarHBondContact O-CG1 3.36Å; F84-I88 PolarHBondContact O-N 3.24Å
85L75.7Confident73.8Confident20 Ų2072 Ų7211%0.10534%0.342CS..Hα-helixtrans-62.5-39.8176-72.4178.1000112.1L81 L82 Y87 I88 R89L81-L85 HydrophobicContact CD2-CD1 3.74Å; L81-L85 HydrophobicContact CD2-CG 4.06Å; L81-L85 WeakPolarHBondContact O-CG 3.11Å; L81-L85 PolarHBondContact O-N 3.39Å; L82-L85 PolarHBondContact O-N 3.02Å; L85-Y87 PolarHBondContact O-N 3.31Å; L85-I88 PolarHBondContact O-N 3.15Å; L85-R89 WeakPolarHBondContact O-CB 3.14Å; L85-R89 VanDerWaalsContact O-CG 3.27Å; L85-R89 WeakPolarHBondContact O-CG 3.34Å; L85-R89 PolarHBondContact O-N 3.15Å
86L78.5Confident74.9Confident24 Ų2469.4 Ų69.413%0.12633%0.327CS..Hα-helixtrans-53.4-55.2178.2-83.5164.5000111.4L82 Y83 F84 I88 R89 Y90 F123 C126 T127L82-L86 WeakPolarHBondContact O-CB 3.4Å; L82-L86 WeakPolarHBondContact O-CD1 3.32Å; L82-L86 WeakPolarHBondContact O-CG 3.27Å; L82-L86 PolarHBondContact O-N 3.37Å; Y83-L86 PolarHBondContact O-N 3.25Å; F84-L86 VanDerWaalsContact C-N 3.34Å; F84-L86 PolarHBondContact O-N 2.62Å; L86-I88 VanDerWaalsContact C-N 3.34Å; L86-I88 PolarHBondContact O-N 3.24Å; L86-R89 PolarHBondContact O-N 3.14Å; L86-Y90 PolarHBondContact O-N 2.7Å; L86-F123 HydrophobicContact CB-CD2 4.28Å; L86-F123 HydrophobicContact CB-CE2 4.32Å; L86-F123 HydrophobicContact CD2-CD2 3.48Å; L86-F123 VanDerWaalsContact CD2-CD2 3.48Å; L86-F123 HydrophobicContact CD2-CE2 3.67Å; L86-F123 HydrophobicContact CD2-CG 4.32Å; L86-F123 WeakPolarHBondContact CD2-O 3.32Å; L86-F123 WeakPolarHBondContact O-CD2 3.23Å; L86-C126 HydrophobicContact CD1-CB 4.37Å; L86-C126 HydrophobicContact CD2-CB 3.35Å; L86-C126 HydrophobicContact CG-CB 3.58Å; L86-T127 HydrophobicContact CD2-CG2 4.02Å
87Y79.8Confident76.1Confident156 Ų15670.3 Ų70.361%0.61233%0.33SS*.Hα-helixtrans-61.4-44.3-179.8-69-66.9000111.5Y83 L85 R89 Y90 F91Y83-Y87 WeakPolarHBondContact O-CD2 3.3Å; L85-Y87 PolarHBondContact O-N 3.31Å; Y87-R89 VanDerWaalsContact C-N 3.34Å; Y87-R89 PolarHBondContact O-N 3.01Å; Y87-Y90 PolarHBondContact O-N 3.01Å; Y87-F91 HydrophobicContact CD1-CE2 4.48Å; Y87-F91 WeakPolarHBondContact O-CD2 3.13Å; Y87-F91 PolarHBondContact O-N 3.01Å
88I82.5Confident77.2Confident49 Ų4972.6 Ų72.625%0.25134%0.342SS..Hα-helixtrans-59.4-46.4178-67.2168.5000110.6F84 L85 L86 F91 T92F84-I88 HydrophobicContact CD1-CD1 3.5Å; F84-I88 HydrophobicContact CE1-CD1 3.17Å; F84-I88 HydrophobicContact CE1-CG1 4.34Å; F84-I88 HydrophobicContact CE2-CD1 4.25Å; F84-I88 HydrophobicContact CG-CD1 4.2Å; F84-I88 HydrophobicContact CZ-CD1 3.59Å; F84-I88 HydrophobicContact CZ-CG1 4.39Å; F84-I88 WeakPolarHBondContact O-CG1 3.36Å; F84-I88 PolarHBondContact O-N 3.24Å; L85-I88 PolarHBondContact O-N 3.15Å; L86-I88 VanDerWaalsContact C-N 3.34Å; L86-I88 PolarHBondContact O-N 3.24Å; I88-F91 PolarHBondContact O-N 2.65Å; I88-T92 WeakPolarHBondContact O-CB 3.2Å; I88-T92 PolarHBondContact O-N 3.45Å; I88-T92 PolarHBondContact O-OG1 3.43Å
89R85Confident78.3Confident24 Ų2470.8 Ų70.89%0.09134%0.335CS..Hα-helixtrans-64.9-40.9-177.9-69.5-55.194.8-169.72111.8L85 L86 Y87 T92 S93 I122 F123L85-R89 WeakPolarHBondContact O-CB 3.14Å; L85-R89 VanDerWaalsContact O-CG 3.27Å; L85-R89 WeakPolarHBondContact O-CG 3.34Å; L85-R89 PolarHBondContact O-N 3.15Å; L86-R89 PolarHBondContact O-N 3.14Å; Y87-R89 VanDerWaalsContact C-N 3.34Å; Y87-R89 PolarHBondContact O-N 3.01Å; R89-T92 PolarHBondContact O-N 3.33Å; R89-S93 PolarHBondContact O-N 3.32Å; R89-I122 HydrophobicContact CG-CB 4.3Å; R89-I122 HydrophobicContact CG-CG2 3.75Å; R89-F123 HydrophobicContact CB-CB 4Å
90Y83.9Confident79.5Confident56 Ų5666.8 Ų66.822%0.2231%0.31CS..Hα-helixtrans-62.1-52175.8-178-105.3000111.9L86 Y87 T92 S93 L94 L120 F123L86-Y90 PolarHBondContact O-N 2.7Å; Y87-Y90 PolarHBondContact O-N 3.01Å; Y90-T92 VanDerWaalsContact C-N 3.31Å; Y90-T92 PolarHBondContact O-N 3.43Å; Y90-S93 WeakPolarHBondContact O-CB 3.22Å; Y90-S93 PolarHBondContact O-N 3.42Å; Y90-S93 VanDerWaalsContact O-N 3.16Å; Y90-L94 HydrophobicContact CD1-CD1 4.03Å; Y90-L94 HydrophobicContact CE1-CD1 3.48Å; Y90-L94 VanDerWaalsContact CE1-CD1 3.48Å; Y90-L94 HydrophobicContact CE1-CG 4.33Å; Y90-L94 PolarHBondContact O-N 3.44Å; Y90-L94 VanDerWaalsContact O-N 3.07Å; Y90-L120 HydrophobicContact CD2-CD2 4.49Å; Y90-F123 HydrophobicContact CD2-CE1 4.35Å; Y90-F123 HydrophobicContact CD2-CZ 4.34Å
91F85.3Confident80.3Confident130 Ų13065.5 Ų65.557%0.5730%0.298SS*.Hα-helixtrans-65.2-34.5178.1-72.9-62.1000112.8Y87 I88 S93 L94 H95Y87-F91 HydrophobicContact CD1-CE2 4.48Å; Y87-F91 WeakPolarHBondContact O-CD2 3.13Å; Y87-F91 PolarHBondContact O-N 3.01Å; I88-F91 PolarHBondContact O-N 2.65Å; F91-S93 VanDerWaalsContact C-N 3.33Å; F91-S93 PolarHBondContact O-N 3.33Å; F91-L94 HydrophobicContact CD1-CD1 4.35Å; F91-L94 PolarHBondContact O-N 3Å; F91-H95 WeakPolarHBondContact O-CB 3.47Å; F91-H95 PolarHBondContact O-N 2.93Å
92T85.1Confident81.1Confident34 Ų3472 Ų7221%0.20932%0.32CS..Hα-helixtrans-62.7-42.3174.2-59.30000110.7I88 R89 Y90 H95 F96I88-T92 WeakPolarHBondContact O-CB 3.2Å; I88-T92 PolarHBondContact O-N 3.45Å; I88-T92 PolarHBondContact O-OG1 3.43Å; R89-T92 PolarHBondContact O-N 3.33Å; Y90-T92 VanDerWaalsContact C-N 3.31Å; Y90-T92 PolarHBondContact O-N 3.43Å; T92-H95 PolarHBondContact O-N 3.34Å; T92-F96 HydrophobicContact CG2-CD2 3.73Å; T92-F96 HydrophobicContact CG2-CE2 3.49Å; T92-F96 VanDerWaalsContact CG2-CE2 3.49Å; T92-F96 WeakPolarHBondContact O-CD2 3.46Å; T92-F96 PolarHBondContact O-N 3.16Å; T92-F96 VanDerWaalsContact O-N 3.12Å
93S85.9Confident81.8Confident0 Ų073.1 Ų73.10%033%0.325CS..Hα-helixtrans-60.9-47.5175.2-173.10000111.6R89 Y90 F91 H95 F96 R97 S116 L120R89-S93 PolarHBondContact O-N 3.32Å; Y90-S93 WeakPolarHBondContact O-CB 3.22Å; Y90-S93 PolarHBondContact O-N 3.42Å; Y90-S93 VanDerWaalsContact O-N 3.16Å; F91-S93 VanDerWaalsContact C-N 3.33Å; F91-S93 PolarHBondContact O-N 3.33Å; S93-H95 VanDerWaalsContact C-N 3.32Å; S93-H95 PolarHBondContact O-N 3.06Å; S93-F96 PolarHBondContact O-N 2.86Å; S93-R97 WeakPolarHBondContact O-CD 3.11Å; S93-R97 VanDerWaalsContact O-CG 3.26Å; S93-R97 WeakPolarHBondContact O-CG 3.41Å; S93-R97 PolarHBondContact O-N 2.59Å; S93-R97 PolarHBondContact OG-NE 3.4Å; S93-S116 WeakPolarHBondContact CB-O 3.42Å; S93-S116 WeakPolarHBondContact O-CB 3.49Å; S93-S116 PolarHBondContact OG-O 3.41Å; S93-L120 WeakPolarHBondContact OG-CD2 3.47Å; S93-L120 WeakPolarHBondContact OG-CG 3.17Å
94L85.3Confident81.9Confident54 Ų5473 Ų7328%0.28333%0.328SS..Hα-helixtrans-59.2-42.7176.7-70177.7000112.1Y90 F91 F96 R97 L98Y90-L94 HydrophobicContact CD1-CD1 4.03Å; Y90-L94 HydrophobicContact CE1-CD1 3.48Å; Y90-L94 VanDerWaalsContact CE1-CD1 3.48Å; Y90-L94 HydrophobicContact CE1-CG 4.33Å; Y90-L94 PolarHBondContact O-N 3.44Å; Y90-L94 VanDerWaalsContact O-N 3.07Å; F91-L94 HydrophobicContact CD1-CD1 4.35Å; F91-L94 PolarHBondContact O-N 3Å; L94-F96 PolarHBondContact O-N 3.16Å; L94-R97 WeakPolarHBondContact O-CB 3.49Å; L94-R97 PolarHBondContact O-N 3.39Å; L94-L98 WeakPolarHBondContact O-CG 3.41Å; L94-L98 PolarHBondContact O-N 2.85Å
95H86Confident82.1Confident109 Ų10969.6 Ų69.651%0.50532%0.316SS..Hα-helixtrans-61.4-46.1179.4-174.963.5000112.4F91 T92 S93 R97 L98 I99F91-H95 WeakPolarHBondContact O-CB 3.47Å; F91-H95 PolarHBondContact O-N 2.93Å; T92-H95 PolarHBondContact O-N 3.34Å; S93-H95 VanDerWaalsContact C-N 3.32Å; S93-H95 PolarHBondContact O-N 3.06Å; H95-R97 VanDerWaalsContact C-N 3.32Å; H95-R97 PolarHBondContact O-N 3.44Å; H95-L98 PolarHBondContact O-N 2.62Å; H95-I99 WeakPolarHBondContact NE2-CD1 3.43Å; H95-I99 WeakPolarHBondContact O-CG1 3.48Å; H95-I99 PolarHBondContact O-N 2.97Å
96F85.6Confident81.8Confident30 Ų3069.4 Ų69.413%0.13232%0.316CS..Hα-helixtrans-68-31.2177.3-76.7-62.9000113.1A48 T92 S93 L94 I99 A100 Y112 V115A48-F96 HydrophobicContact CB-CZ 4.42Å; T92-F96 HydrophobicContact CG2-CD2 3.73Å; T92-F96 HydrophobicContact CG2-CE2 3.49Å; T92-F96 VanDerWaalsContact CG2-CE2 3.49Å; T92-F96 WeakPolarHBondContact O-CD2 3.46Å; T92-F96 PolarHBondContact O-N 3.16Å; T92-F96 VanDerWaalsContact O-N 3.12Å; S93-F96 PolarHBondContact O-N 2.86Å; L94-F96 PolarHBondContact O-N 3.16Å; F96-I99 HydrophobicContact CD1-CD1 4.19Å; F96-I99 PolarHBondContact O-N 3.5Å; F96-A100 WeakPolarHBondContact O-CB 3.39Å; F96-A100 PolarHBondContact O-N 3.07Å; F96-Y112 AromaticContact CD1-CD1 3.74Å; F96-Y112 HydrophobicContact CD1-CD1 3.74Å; F96-Y112 HydrophobicContact CD1-CE1 4.21Å; F96-Y112 HydrophobicContact CE1-CD1 4.23Å; F96-Y112 HydrophobicContact CE1-CE1 4.34Å; F96-V115 HydrophobicContact CD1-CG1 4.28Å; F96-V115 HydrophobicContact CD2-CG1 3.65Å; F96-V115 HydrophobicContact CE1-CG1 4.23Å; F96-V115 HydrophobicContact CE2-CG1 3.6Å; F96-V115 HydrophobicContact CG-CG1 4.01Å; F96-V115 HydrophobicContact CZ-CG1 3.9Å
97R85.4Confident81.6Confident22 Ų2273.5 Ų73.58%0.08333%0.333CS..Hα-helixtrans-63.6-42.5171.7-69.2161.5-169-95.1-26.1111.5S93 L94 H95 A100 F101 M187 S191S93-R97 WeakPolarHBondContact O-CD 3.11Å; S93-R97 VanDerWaalsContact O-CG 3.26Å; S93-R97 WeakPolarHBondContact O-CG 3.41Å; S93-R97 PolarHBondContact O-N 2.59Å; S93-R97 PolarHBondContact OG-NE 3.4Å; L94-R97 WeakPolarHBondContact O-CB 3.49Å; L94-R97 PolarHBondContact O-N 3.39Å; H95-R97 VanDerWaalsContact C-N 3.32Å; H95-R97 PolarHBondContact O-N 3.44Å; R97-A100 WeakPolarHBondContact O-CB 3.42Å; R97-A100 PolarHBondContact O-N 2.82Å; R97-F101 PolarHBondContact O-N 3.35Å; R97-M187 HydrophobicContact CG-CE 4.07Å; R97-M187 PolarHBondContact NH1-O 3.37Å; R97-S191 PolarHBondContact NH1-OG 2.82Å
98L84.4Confident81.5Confident112 Ų11268 Ų6859%0.58631%0.314SS*.Hα-helixtrans-65.5-40.1175.6-68.2173.6000111.7L94 H95 A100 F101 Y102L94-L98 WeakPolarHBondContact O-CG 3.41Å; L94-L98 PolarHBondContact O-N 2.85Å; H95-L98 PolarHBondContact O-N 2.62Å; L98-A100 VanDerWaalsContact C-N 3.33Å; L98-A100 PolarHBondContact O-N 2.98Å; L98-F101 WeakPolarHBondContact O-CB 3.2Å; L98-F101 PolarHBondContact O-N 3.33Å; L98-Y102 VanDerWaalsContact O-CD2 3.26Å; L98-Y102 WeakPolarHBondContact O-CD2 3.16Å
99I84.8Confident81.3Confident49 Ų4966.2 Ų66.225%0.25131%0.305SS..Hα-helixtrans-63.1-42175-66.9165.5000110.7H95 F96 F101 Y102 E103 Y112H95-I99 WeakPolarHBondContact NE2-CD1 3.43Å; H95-I99 WeakPolarHBondContact O-CG1 3.48Å; H95-I99 PolarHBondContact O-N 2.97Å; F96-I99 HydrophobicContact CD1-CD1 4.19Å; F96-I99 PolarHBondContact O-N 3.5Å; I99-F101 PolarHBondContact O-N 2.88Å; I99-F101 VanDerWaalsContact O-N 3.11Å; I99-Y102 PolarHBondContact O-N 3.48Å; I99-E103 PolarHBondContact O-N 3.26Å; I99-Y112 HydrophobicContact CG2-CD1 4.2Å; I99-Y112 HydrophobicContact CG2-CD2 3.89Å; I99-Y112 HydrophobicContact CG2-CE1 3.96Å; I99-Y112 HydrophobicContact CG2-CE2 3.63Å; I99-Y112 HydrophobicContact CG2-CG 4.18Å
100A82.2Confident81Confident6 Ų665.5 Ų65.55%0.0530%0.303CS..Hα-helixtrans-59.1-23.8177.100000113.2F96 R97 L98F96-A100 WeakPolarHBondContact O-CB 3.39Å; F96-A100 PolarHBondContact O-N 3.07Å; R97-A100 WeakPolarHBondContact O-CB 3.42Å; R97-A100 PolarHBondContact O-N 2.82Å; L98-A100 VanDerWaalsContact C-N 3.33Å; L98-A100 PolarHBondContact O-N 2.98Å
101F77.3Confident80.9Confident119 Ų11963 Ų6352%0.52229%0.294SS..Hα-helixtrans-68.7-39.1174.9-174.7-93.4000113.2R97 L98 I99 L184R97-F101 PolarHBondContact O-N 3.35Å; L98-F101 WeakPolarHBondContact O-CB 3.2Å; L98-F101 PolarHBondContact O-N 3.33Å; I99-F101 PolarHBondContact O-N 2.88Å; I99-F101 VanDerWaalsContact O-N 3.11Å; F101-L184 HydrophobicContact CB-CD2 3.99Å; F101-L184 HydrophobicContact CD2-CD1 3.27Å; F101-L184 HydrophobicContact CD2-CD2 3.69Å; F101-L184 HydrophobicContact CD2-CG 4.09Å; F101-L184 HydrophobicContact CE2-CD1 3.6Å; F101-L184 HydrophobicContact CG-CD1 4.31Å; F101-L184 HydrophobicContact CG-CD2 4.35Å
102Y80.8Confident80.9Confident183 Ų18358.5 Ų58.572%0.71827%0.274SS*.Hα-helixtrans-88-9.3-177-66-74.5000113.2L98 I99L98-Y102 VanDerWaalsContact O-CD2 3.26Å; L98-Y102 WeakPolarHBondContact O-CD2 3.16Å; I99-Y102 PolarHBondContact O-N 3.48Å
103E81.4Confident80.8Confident44 Ų4457 Ų5721%0.20626%0.264CS..  trans-79.4136.5-175.4-171.355.5-133.100112I99 D105 N108 I109 Y112I99-E103 PolarHBondContact O-N 3.26Å; E103-D105 PolarHBondContact OE1-N 3.18Å; E103-N108 VanDerWaalsContact CD-CB 3.49Å; E103-N108 HydrophobicContact CG-CB 3.36Å; E103-N108 WeakPolarHBondContact OE1-CB 3.33Å; E103-N108 PolarHBondContact OE1-ND2 2.87Å; E103-I109 HydrophobicContact CB-CG1 3.95Å; E103-I109 HydrophobicContact CG-CG1 3.97Å; E103-I109 WeakPolarHBondContact O-CD1 3.27Å; E103-Y112 HydrophobicContact CB-CD2 4.32Å; E103-Y112 HydrophobicContact CB-CE2 4.4Å; E103-Y112 HydrophobicContact CG-CD2 4.14Å; E103-Y112 HydrophobicContact CG-CE2 4.02Å
104K73.1Confident80.7Confident164 Ų16457.9 Ų57.971%0.71327%0.27SS*.  trans-102.1-24-175.5-65.5-179.1-178.2176.80113.2R176K104-R176 PolarHBondContact O-NE 3.5Å
105D75.7Confident80.6Confident77 Ų7756.2 Ų56.241%0.41226%0.262SS..  trans-89.4124.2-176.9-73.1-33.6000110.9E103 K107 N108 I109 R176E103-D105 PolarHBondContact OE1-N 3.18Å; D105-K107 PolarHBondContact O-N 3.05Å; D105-K107 VanDerWaalsContact O-N 3.13Å; D105-N108 HydrophobicContact CB-CB 4.27Å; D105-N108 PolarHBondContact O-N 3.44Å; D105-I109 WeakPolarHBondContact O-CG1 3.4Å; D105-I109 PolarHBondContact O-N 3.12Å; D105-R176 IonicContact OD1-NH2 3.86Å; D105-R176 PolarHBondContact OD1-NH2 2.9Å
106P70.7Confident80.5Confident15 Ų1551 Ų5110%0.09724%0.238CC..Hα-helixtrans-62.1-28.7-17525.5-35000112.6L110 I151 F154P106-L110 WeakPolarHBondContact O-CB 3.47Å; P106-L110 PolarHBondContact O-N 3.41Å; P106-I151 HydrophobicContact CB-CG1 4.48Å; P106-I151 HydrophobicContact CB-CG2 4.35Å; P106-F154 HydrophobicContact CG-CD1 4.01Å; P106-F154 HydrophobicContact CG-CE1 3.84Å
107K74Confident80.5Confident111 Ų11149.7 Ų49.748%0.48323%0.232SC..Hα-helixtrans-65.6-41.1175.4-62.2176.1-178.4177.50111.5I58 D105 A111I58-K107 HydrophobicContact CD1-CB 4.26Å; I58-K107 HydrophobicContact CD1-CD 3.98Å; I58-K107 HydrophobicContact CD1-CG 3.99Å; D105-K107 PolarHBondContact O-N 3.05Å; D105-K107 VanDerWaalsContact O-N 3.13Å; K107-A111 PolarHBondContact O-N 3.49Å; K107-A111 VanDerWaalsContact O-N 3.09Å
108N76.7Confident80.4Confident41 Ų4149.5 Ų49.522%0.21923%0.234CC..Hα-helixtrans-75.3-39.3179-64.1-12000110.7E103 D105 L110 A111 Y112E103-N108 VanDerWaalsContact CD-CB 3.49Å; E103-N108 HydrophobicContact CG-CB 3.36Å; E103-N108 WeakPolarHBondContact OE1-CB 3.33Å; E103-N108 PolarHBondContact OE1-ND2 2.87Å; D105-N108 HydrophobicContact CB-CB 4.27Å; D105-N108 PolarHBondContact O-N 3.44Å; N108-L110 VanDerWaalsContact C-N 3.3Å; N108-L110 PolarHBondContact O-N 2.86Å; N108-A111 PolarHBondContact O-N 2.84Å; N108-A111 VanDerWaalsContact O-N 3.11Å; N108-Y112 HydrophobicContact CB-CD2 4.4Å; N108-Y112 HydrophobicContact CB-CE2 4.15Å; N108-Y112 WeakPolarHBondContact O-CD2 3.45Å; N108-Y112 PolarHBondContact O-N 3.48Å
109I78.6Confident80.4Confident10 Ų1044.3 Ų44.35%0.05121%0.207CC..Hα-helixtrans-56.1-47.1172.6-63.9170000110.1E103 D105 A111 Y112 S113 C183E103-I109 HydrophobicContact CB-CG1 3.95Å; E103-I109 HydrophobicContact CG-CG1 3.97Å; E103-I109 WeakPolarHBondContact O-CD1 3.27Å; D105-I109 WeakPolarHBondContact O-CG1 3.4Å; D105-I109 PolarHBondContact O-N 3.12Å; I109-A111 VanDerWaalsContact C-N 3.33Å; I109-A111 PolarHBondContact O-N 3.43Å; I109-Y112 PolarHBondContact O-N 2.84Å; I109-S113 WeakPolarHBondContact O-CB 3.41Å; I109-S113 PolarHBondContact O-N 3.26Å; I109-S113 PolarHBondContact O-OG 3.44Å; I109-C183 HydrophobicContact CG2-CB 4.13Å; I109-C183 VanDerWaalsContact CG2-SG 3.59Å
110L79.8Confident80.4Confident9 Ų942.1 Ų42.15%0.04720%0.196CC..Hα-helixtrans-59-46.3175.6-174.558.4000111.3P106 N108 S113 T114 L147 F148 I151P106-L110 WeakPolarHBondContact O-CB 3.47Å; P106-L110 PolarHBondContact O-N 3.41Å; N108-L110 VanDerWaalsContact C-N 3.3Å; N108-L110 PolarHBondContact O-N 2.86Å; L110-S113 WeakPolarHBondContact CA-OG 3.19Å; L110-S113 PolarHBondContact O-N 2.82Å; L110-S113 PolarHBondContact O-OG 3.27Å; L110-T114 HydrophobicContact CD1-CG2 4.33Å; L110-T114 WeakPolarHBondContact O-CG2 3.09Å; L110-T114 PolarHBondContact O-N 2.87Å; L110-T114 PolarHBondContact O-OG1 3.39Å; L110-L147 HydrophobicContact CD1-CB 4.28Å; L110-F148 HydrophobicContact CD2-CD2 3.88Å; L110-F148 HydrophobicContact CD2-CE2 4.36Å; L110-I151 HydrophobicContact CB-CD1 3.57Å; L110-I151 HydrophobicContact CD1-CD1 3.82Å; L110-I151 HydrophobicContact CD2-CD1 4.12Å; L110-I151 HydrophobicContact CG-CD1 4.01Å
111A82Confident80.5Confident5 Ų542.7 Ų42.74%0.04120%0.199CC..Hα-helixtrans-63.9-46.5-178.300000111.8S51 L62 K107 N108 I109 S113 T114 V115S51-A111 WeakPolarHBondContact OG-CB 3.35Å; L62-A111 HydrophobicContact CD1-CB 4.23Å; K107-A111 PolarHBondContact O-N 3.49Å; K107-A111 VanDerWaalsContact O-N 3.09Å; N108-A111 PolarHBondContact O-N 2.84Å; N108-A111 VanDerWaalsContact O-N 3.11Å; I109-A111 VanDerWaalsContact C-N 3.33Å; I109-A111 PolarHBondContact O-N 3.43Å; A111-S113 VanDerWaalsContact C-N 3.34Å; A111-S113 PolarHBondContact O-N 2.89Å; A111-T114 PolarHBondContact O-N 3.28Å; A111-T114 PolarHBondContact O-OG1 3.01Å; A111-V115 VanDerWaalsContact O-CG2 3.27Å; A111-V115 WeakPolarHBondContact O-CG2 3.47Å; A111-V115 PolarHBondContact O-N 3.3Å
112Y84Confident80.7Confident35 Ų3537.1 Ų37.114%0.13718%0.175CC..Hα-helixtrans-64.1-37.2175.6-67.1-52.2000112.9F96 I99 E103 N108 I109 V115 S116F96-Y112 AromaticContact CD1-CD1 3.74Å; F96-Y112 HydrophobicContact CD1-CD1 3.74Å; F96-Y112 HydrophobicContact CD1-CE1 4.21Å; F96-Y112 HydrophobicContact CE1-CD1 4.23Å; F96-Y112 HydrophobicContact CE1-CE1 4.34Å; I99-Y112 HydrophobicContact CG2-CD1 4.2Å; I99-Y112 HydrophobicContact CG2-CD2 3.89Å; I99-Y112 HydrophobicContact CG2-CE1 3.96Å; I99-Y112 HydrophobicContact CG2-CE2 3.63Å; I99-Y112 HydrophobicContact CG2-CG 4.18Å; E103-Y112 HydrophobicContact CB-CD2 4.32Å; E103-Y112 HydrophobicContact CB-CE2 4.4Å; E103-Y112 HydrophobicContact CG-CD2 4.14Å; E103-Y112 HydrophobicContact CG-CE2 4.02Å; N108-Y112 HydrophobicContact CB-CD2 4.4Å; N108-Y112 HydrophobicContact CB-CE2 4.15Å; N108-Y112 WeakPolarHBondContact O-CD2 3.45Å; N108-Y112 PolarHBondContact O-N 3.48Å; I109-Y112 PolarHBondContact O-N 2.84Å; Y112-V115 PolarHBondContact O-N 2.98Å; Y112-S116 WeakPolarHBondContact O-CB 3.24Å; Y112-S116 PolarHBondContact O-N 2.97Å; Y112-S116 PolarHBondContact O-OG 2.68Å
113S84.2Confident80.7Confident2 Ų229.4 Ų29.41%0.01415%0.145CC..Hα-helixtrans-58.7-54.7175.572.50000110.7I109 L110 A111 V115 S116 Q117I109-S113 WeakPolarHBondContact O-CB 3.41Å; I109-S113 PolarHBondContact O-N 3.26Å; I109-S113 PolarHBondContact O-OG 3.44Å; L110-S113 WeakPolarHBondContact CA-OG 3.19Å; L110-S113 PolarHBondContact O-N 2.82Å; L110-S113 PolarHBondContact O-OG 3.27Å; A111-S113 VanDerWaalsContact C-N 3.34Å; A111-S113 PolarHBondContact O-N 2.89Å; S113-V115 PolarHBondContact O-N 3.22Å; S113-S116 PolarHBondContact O-N 2.79Å; S113-S116 PolarHBondContact O-OG 3.19Å; S113-Q117 VanDerWaalsContact O-CB 3.31Å; S113-Q117 WeakPolarHBondContact O-CB 3.33Å; S113-Q117 VanDerWaalsContact O-CG 3.26Å; S113-Q117 WeakPolarHBondContact O-CG 3.36Å; S113-Q117 PolarHBondContact O-N 3.35Å
114T81.9Confident80.7Confident18 Ų1827.5 Ų27.511%0.1114%0.136CC..Hα-helixtrans-64.9-34.8-179.859.60000113.9L62 L110 A111 Q117 S118 I144L62-T114 VanDerWaalsContact CD1-OG1 3.26Å; L62-T114 WeakPolarHBondContact CD1-OG1 3.47Å; L62-T114 HydrophobicContact CD2-CG2 3.46Å; L62-T114 VanDerWaalsContact CD2-CG2 3.46Å; L62-T114 VanDerWaalsContact CD2-OG1 3.26Å; L62-T114 WeakPolarHBondContact CD2-OG1 3.46Å; L62-T114 HydrophobicContact CG-CG2 4.47Å; L62-T114 WeakPolarHBondContact CG-OG1 3.28Å; L110-T114 HydrophobicContact CD1-CG2 4.33Å; L110-T114 WeakPolarHBondContact O-CG2 3.09Å; L110-T114 PolarHBondContact O-N 2.87Å; L110-T114 PolarHBondContact O-OG1 3.39Å; A111-T114 PolarHBondContact O-N 3.28Å; A111-T114 PolarHBondContact O-OG1 3.01Å; T114-Q117 WeakPolarHBondContact O-CB 3.45Å; T114-Q117 PolarHBondContact O-N 3.11Å; T114-S118 PolarHBondContact O-N 3.25Å; T114-I144 HydrophobicContact CG2-CG2 4.25Å
115V83.5Confident80.9Confident19 Ų1920.6 Ų20.612%0.11511%0.107CC..Hα-helixtrans-65.3-48.3174.2172.40000110.5F96 A111 Y112 S113 Q117 S118 A119F96-V115 HydrophobicContact CD1-CG1 4.28Å; F96-V115 HydrophobicContact CD2-CG1 3.65Å; F96-V115 HydrophobicContact CE1-CG1 4.23Å; F96-V115 HydrophobicContact CE2-CG1 3.6Å; F96-V115 HydrophobicContact CG-CG1 4.01Å; F96-V115 HydrophobicContact CZ-CG1 3.9Å; A111-V115 VanDerWaalsContact O-CG2 3.27Å; A111-V115 WeakPolarHBondContact O-CG2 3.47Å; A111-V115 PolarHBondContact O-N 3.3Å; Y112-V115 PolarHBondContact O-N 2.98Å; S113-V115 PolarHBondContact O-N 3.22Å; V115-Q117 PolarHBondContact O-N 3.21Å; V115-S118 PolarHBondContact O-N 3.46Å; V115-S118 PolarHBondContact O-OG 2.86Å; V115-A119 PolarHBondContact O-N 3.26Å
116S85.6Confident80.9Confident0 Ų017.4 Ų17.40%09%0.09CC..Hα-helixtrans-62.3-31177.273.50000112.6S93 Y112 S113 A119 L120 M187S93-S116 WeakPolarHBondContact CB-O 3.42Å; S93-S116 WeakPolarHBondContact O-CB 3.49Å; S93-S116 PolarHBondContact OG-O 3.41Å; Y112-S116 WeakPolarHBondContact O-CB 3.24Å; Y112-S116 PolarHBondContact O-N 2.97Å; Y112-S116 PolarHBondContact O-OG 2.68Å; S113-S116 PolarHBondContact O-N 2.79Å; S113-S116 PolarHBondContact O-OG 3.19Å; S116-A119 PolarHBondContact O-N 2.88Å; S116-L120 PolarHBondContact O-N 3.23Å; S116-L120 VanDerWaalsContact O-N 3.15Å; S116-M187 WeakPolarHBondContact OG-CE 3.37Å
117Q84.3Confident81.1Confident2 Ų218.3 Ų18.31%0.00910%0.095CC..Hα-helixtrans-72.2-43.5176.4-80.5-31.7-9.900112.8S113 T114 V115 A119 L120 V121 H140 I144 M187 E190S113-Q117 VanDerWaalsContact O-CB 3.31Å; S113-Q117 WeakPolarHBondContact O-CB 3.33Å; S113-Q117 VanDerWaalsContact O-CG 3.26Å; S113-Q117 WeakPolarHBondContact O-CG 3.36Å; S113-Q117 PolarHBondContact O-N 3.35Å; T114-Q117 WeakPolarHBondContact O-CB 3.45Å; T114-Q117 PolarHBondContact O-N 3.11Å; V115-Q117 PolarHBondContact O-N 3.21Å; Q117-A119 PolarHBondContact O-N 3.44Å; Q117-L120 PolarHBondContact O-N 2.94Å; Q117-L120 VanDerWaalsContact O-N 3.15Å; Q117-V121 WeakPolarHBondContact O-CG2 3.29Å; Q117-V121 PolarHBondContact O-N 3.44Å; Q117-H140 WeakPolarHBondContact CB-CE1 3.26Å; Q117-H140 WeakPolarHBondContact CB-NE2 3.21Å; Q117-H140 WeakPolarHBondContact CG-NE2 3.25Å; Q117-H140 PolarHBondContact OE1-CD2 2.95Å; Q117-H140 VanDerWaalsContact OE1-CD2 3.29Å; Q117-H140 PolarHBondContact OE1-NE2 3.23Å; Q117-I144 HydrophobicContact CB-CD1 4.28Å; Q117-I144 HydrophobicContact CG-CD1 4.28Å; Q117-I144 HydrophobicContact CG-CG1 4.46Å; Q117-M187 HydrophobicContact CG-CE 3.92Å; Q117-M187 HydrophobicContact CG-SD 4.23Å; Q117-M187 PolarHBondContact NE2-SD 3.3Å; Q117-E190 PolarHBondContact NE2-OE2 2.85Å; Q117-E190 PolarHBondContact OE1-OE2 2.92Å
118S82.7Confident81.1Confident19 Ų1918.1 Ų18.113%0.13310%0.1CC..Hα-helixtrans-58.8-36.8170.774.20000111.9T114 V115 V121 I122T114-S118 PolarHBondContact O-N 3.25Å; V115-S118 PolarHBondContact O-N 3.46Å; V115-S118 PolarHBondContact O-OG 2.86Å; S118-V121 PolarHBondContact O-N 2.95Å; S118-I122 WeakPolarHBondContact O-CD1 3.42Å; S118-I122 WeakPolarHBondContact O-CG1 3.39Å; S118-I122 PolarHBondContact O-N 3.24Å
119A85.2Confident81.1Confident3 Ų318.1 Ų18.13%0.02510%0.099CC..Hα-helixtrans-66.2-37176.400000112.8V115 S116 Q117 F123V115-A119 PolarHBondContact O-N 3.26Å; S116-A119 PolarHBondContact O-N 2.88Å; Q117-A119 PolarHBondContact O-N 3.44Å; A119-F123 WeakPolarHBondContact O-CB 3.43Å; A119-F123 PolarHBondContact O-N 3.06Å
120L84.7Confident81Confident2 Ų225.8 Ų25.81%0.0113%0.132CC..Hα-helixtrans-66.5-42.9171.7-77-164.2000112.3Y90 S93 S116 Q117 I122 F123 I124Y90-L120 HydrophobicContact CD2-CD2 4.49Å; S93-L120 WeakPolarHBondContact OG-CD2 3.47Å; S93-L120 WeakPolarHBondContact OG-CG 3.17Å; S116-L120 PolarHBondContact O-N 3.23Å; S116-L120 VanDerWaalsContact O-N 3.15Å; Q117-L120 PolarHBondContact O-N 2.94Å; Q117-L120 VanDerWaalsContact O-N 3.15Å; L120-I122 VanDerWaalsContact C-N 3.28Å; L120-I122 PolarHBondContact O-N 2.94Å; L120-F123 WeakPolarHBondContact O-CB 3.35Å; L120-F123 PolarHBondContact O-N 3.35Å; L120-F123 VanDerWaalsContact O-N 3.14Å; L120-I124 WeakPolarHBondContact O-CG1 3.21Å; L120-I124 PolarHBondContact O-N 2.72Å
121V83.9Confident80.9Confident19 Ų1929.3 Ų29.312%0.11515%0.154CC..Hα-helixtrans-59.7-42.9178.3173.30000110.4Q117 S118 I124 I125 I137Q117-V121 WeakPolarHBondContact O-CG2 3.29Å; Q117-V121 PolarHBondContact O-N 3.44Å; S118-V121 PolarHBondContact O-N 2.95Å; V121-I124 PolarHBondContact O-N 3.26Å; V121-I125 HydrophobicContact CG1-CD1 3.89Å; V121-I125 HydrophobicContact CG1-CG1 4.48Å; V121-I125 VanDerWaalsContact O-CG1 3.28Å; V121-I125 WeakPolarHBondContact O-CG1 3.34Å; V121-I125 PolarHBondContact O-N 3.32Å; V121-I137 HydrophobicContact CG1-CG1 4.32Å
122I81.1Confident80.6Confident2 Ų229.1 Ų29.11%0.0115%0.152CC..Hα-helixtrans-64.6-42.9175.9-61.7157.8000111V69 V70 T73 R89 S118 L120 I124 I125 C126V69-I122 HydrophobicContact CB-CD1 4.39Å; V69-I122 HydrophobicContact CG1-CD1 3.42Å; V69-I122 VanDerWaalsContact CG1-CD1 3.42Å; V70-I122 HydrophobicContact CG2-CG1 4.22Å; T73-I122 HydrophobicContact CG2-CD1 4.33Å; T73-I122 HydrophobicContact CG2-CG1 4.45Å; T73-I122 HydrophobicContact CG2-CG2 3.61Å; R89-I122 HydrophobicContact CG-CB 4.3Å; R89-I122 HydrophobicContact CG-CG2 3.75Å; S118-I122 WeakPolarHBondContact O-CD1 3.42Å; S118-I122 WeakPolarHBondContact O-CG1 3.39Å; S118-I122 PolarHBondContact O-N 3.24Å; L120-I122 VanDerWaalsContact C-N 3.28Å; L120-I122 PolarHBondContact O-N 2.94Å; I122-I124 VanDerWaalsContact C-N 3.26Å; I122-I124 PolarHBondContact O-N 3.36Å; I122-I125 PolarHBondContact O-N 3.3Å; I122-C126 PolarHBondContact O-N 2.99Å; I122-C126 PolarHBondContact O-SG 2.74Å
123F81.9Confident80.3Confident20 Ų2029 Ų299%0.08815%0.153CC..Hα-helixtrans-54.1-44.6174.9166.2-105.3000111.4L86 R89 Y90 A119 L120 C126 T127 L198L86-F123 HydrophobicContact CB-CD2 4.28Å; L86-F123 HydrophobicContact CB-CE2 4.32Å; L86-F123 HydrophobicContact CD2-CD2 3.48Å; L86-F123 VanDerWaalsContact CD2-CD2 3.48Å; L86-F123 HydrophobicContact CD2-CE2 3.67Å; L86-F123 HydrophobicContact CD2-CG 4.32Å; L86-F123 WeakPolarHBondContact CD2-O 3.32Å; L86-F123 WeakPolarHBondContact O-CD2 3.23Å; R89-F123 HydrophobicContact CB-CB 4Å; Y90-F123 HydrophobicContact CD2-CE1 4.35Å; Y90-F123 HydrophobicContact CD2-CZ 4.34Å; A119-F123 WeakPolarHBondContact O-CB 3.43Å; A119-F123 PolarHBondContact O-N 3.06Å; L120-F123 WeakPolarHBondContact O-CB 3.35Å; L120-F123 PolarHBondContact O-N 3.35Å; L120-F123 VanDerWaalsContact O-N 3.14Å; F123-C126 WeakPolarHBondContact O-CB 3.26Å; F123-C126 PolarHBondContact O-N 3.38Å; F123-T127 PolarHBondContact O-N 3.1Å; F123-L198 HydrophobicContact CE1-CD2 3.66Å; F123-L198 HydrophobicContact CZ-CD2 3.41Å; F123-L198 VanDerWaalsContact CZ-CD2 3.41Å
124I80.3Confident80Confident4 Ų433.9 Ų33.92%0.02118%0.179CC..Hα-helixtrans-72.9-37.5-179.6-59.5164.6000111.4L120 V121 I122 C126 T127 L132 I133 H136 S194L120-I124 WeakPolarHBondContact O-CG1 3.21Å; L120-I124 PolarHBondContact O-N 2.72Å; V121-I124 PolarHBondContact O-N 3.26Å; I122-I124 VanDerWaalsContact C-N 3.26Å; I122-I124 PolarHBondContact O-N 3.36Å; I124-C126 PolarHBondContact O-N 3.05Å; I124-T127 WeakPolarHBondContact O-CB 3.49Å; I124-T127 PolarHBondContact O-N 2.92Å; I124-T127 PolarHBondContact O-OG1 3.24Å; I124-L132 HydrophobicContact CG2-CD2 3.99Å; I124-L132 HydrophobicContact CG2-CG 3.78Å; I124-I133 HydrophobicContact CG2-CB 4.42Å; I124-I133 HydrophobicContact CG2-CG1 3.76Å; I124-H136 HydrophobicContact CD1-CB 3.65Å; I124-H136 WeakPolarHBondContact CD1-CD2 3.14Å; I124-H136 VanDerWaalsContact CD1-CE1 3.46Å; I124-H136 WeakPolarHBondContact CD1-CE1 3.27Å; I124-H136 VanDerWaalsContact CD1-ND1 3.28Å; I124-H136 WeakPolarHBondContact CD1-ND1 3.47Å; I124-H136 WeakPolarHBondContact CD1-NE2 3.5Å; I124-S194 VanDerWaalsContact CD1-OG 3.29Å; I124-S194 WeakPolarHBondContact CD1-OG 3.43Å
125I78.9Confident79.8Confident20 Ų2037.4 Ų37.410%0.10320%0.195CC..Hα-helixtrans-56.6-40.8173.2-70.7166.5000110.6V70 I74 I77 V121 I122 T127 N128 I133V70-I125 HydrophobicContact CG1-CD1 3.91Å; I74-I125 HydrophobicContact CG1-CG2 4.3Å; I77-I125 HydrophobicContact CD1-CG2 3.93Å; V121-I125 HydrophobicContact CG1-CD1 3.89Å; V121-I125 HydrophobicContact CG1-CG1 4.48Å; V121-I125 VanDerWaalsContact O-CG1 3.28Å; V121-I125 WeakPolarHBondContact O-CG1 3.34Å; V121-I125 PolarHBondContact O-N 3.32Å; I122-I125 PolarHBondContact O-N 3.3Å; I125-T127 PolarHBondContact O-N 3.43Å; I125-N128 PolarHBondContact O-N 2.96Å; I125-I133 HydrophobicContact CG1-CD1 4.31Å; I125-I133 HydrophobicContact CG1-CG1 4.38Å; I125-I133 HydrophobicContact CG1-CG2 4.09Å
126C75.4Confident79.7Confident9 Ų937.1 Ų37.16%0.06119%0.193CC..Hα-helixtrans-65.5-18.8177.3-66.40000113.9L82 L86 I122 F123 I124 N128L82-C126 HydrophobicContact CD2-CB 4.07Å; L86-C126 HydrophobicContact CD1-CB 4.37Å; L86-C126 HydrophobicContact CD2-CB 3.35Å; L86-C126 HydrophobicContact CG-CB 3.58Å; I122-C126 PolarHBondContact O-N 2.99Å; I122-C126 PolarHBondContact O-SG 2.74Å; F123-C126 WeakPolarHBondContact O-CB 3.26Å; F123-C126 PolarHBondContact O-N 3.38Å; I124-C126 PolarHBondContact O-N 3.05Å; C126-N128 PolarHBondContact O-N 3.07Å
127T75.4Confident79.5Confident34 Ų3440.8 Ų40.821%0.20921%0.211CC..THydrogen-bonded Turntrans-75-14172.3710000112.8L86 F123 I124 I125 I129 L198L86-T127 HydrophobicContact CD2-CG2 4.02Å; F123-T127 PolarHBondContact O-N 3.1Å; I124-T127 WeakPolarHBondContact O-CB 3.49Å; I124-T127 PolarHBondContact O-N 2.92Å; I124-T127 PolarHBondContact O-OG1 3.24Å; I125-T127 PolarHBondContact O-N 3.43Å; T127-I129 PolarHBondContact O-N 3.48Å; T127-I129 VanDerWaalsContact O-N 3.16Å; T127-L198 HydrophobicContact CG2-CD1 3.66Å; T127-L198 HydrophobicContact CG2-CD2 4.4Å
128N73.3Confident79.4Confident108 Ų10845.3 Ų45.358%0.57824%0.235SC*.THydrogen-bonded Turntrans59.918.9177.6-155.615.4000115.3I125 C126 K130I125-N128 PolarHBondContact O-N 2.96Å; C126-N128 PolarHBondContact O-N 3.07Å; N128-K130 PolarHBondContact O-N 3.31Å
129I76.1Confident79.3Confident41 Ų4148.1 Ų48.121%0.2125%0.247CC..  trans-93.798.5176.2-54177.2000109.3T127 V131 L132 I133 F201T127-I129 PolarHBondContact O-N 3.48Å; T127-I129 VanDerWaalsContact O-N 3.16Å; I129-V131 VanDerWaalsContact C-N 3.33Å; I129-V131 PolarHBondContact O-N 3.05Å; I129-L132 HydrophobicContact CB-CB 3.85Å; I129-L132 HydrophobicContact CB-CD2 4.43Å; I129-L132 HydrophobicContact CD1-CD2 4.35Å; I129-L132 HydrophobicContact CG2-CB 3.68Å; I129-L132 WeakPolarHBondContact O-CB 3.31Å; I129-L132 PolarHBondContact O-N 3.41Å; I129-L132 VanDerWaalsContact O-N 3.14Å; I129-I133 VanDerWaalsContact O-CG1 3.32Å; I129-I133 WeakPolarHBondContact O-CG1 3.29Å; I129-I133 PolarHBondContact O-N 3.35Å; I129-F201 HydrophobicContact CD1-CB 4.1Å; I129-F201 HydrophobicContact CD1-CD1 4.4Å; I129-F201 HydrophobicContact CG2-CD1 3.77Å; I129-F201 HydrophobicContact CG2-CE1 3.92Å; I129-F201 HydrophobicContact CG2-CG 4.41Å
130K76.4Confident78.9Confident171 Ų17148.5 Ų48.574%0.74325%0.249SC*.Hα-helixtrans-54.9-42.9-175-64-178.4-178.1177.80114N128 I133 L134N128-K130 PolarHBondContact O-N 3.31Å; K130-I133 PolarHBondContact O-N 3.32Å; K130-L134 PolarHBondContact O-N 3.31Å
131V77.4Confident78.7Confident82 Ų8251 Ų5150%0.49727%0.269SS..Hα-helixtrans-65.3-43-179.7-1800000110.8I129 L134 M135 F201I129-V131 VanDerWaalsContact C-N 3.33Å; I129-V131 PolarHBondContact O-N 3.05Å; V131-L134 PolarHBondContact O-N 3.36Å; V131-M135 HydrophobicContact CG1-CG 4.37Å; V131-M135 WeakPolarHBondContact O-CB 3.41Å; V131-M135 VanDerWaalsContact O-CG 3.28Å; V131-M135 WeakPolarHBondContact O-CG 3.19Å; V131-M135 PolarHBondContact O-N 3.25Å; V131-F201 HydrophobicContact CB-CZ 4.13Å; V131-F201 HydrophobicContact CG1-CZ 3.9Å
132L75.9Confident78.6Confident2 Ų255.8 Ų55.81%0.0129%0.294CS..Hα-helixtrans-63.4-43.2177.3179.563.4000111.4I124 I129 M135 H136 M197 L198 F201I124-L132 HydrophobicContact CG2-CD2 3.99Å; I124-L132 HydrophobicContact CG2-CG 3.78Å; I129-L132 HydrophobicContact CB-CB 3.85Å; I129-L132 HydrophobicContact CB-CD2 4.43Å; I129-L132 HydrophobicContact CD1-CD2 4.35Å; I129-L132 HydrophobicContact CG2-CB 3.68Å; I129-L132 WeakPolarHBondContact O-CB 3.31Å; I129-L132 PolarHBondContact O-N 3.41Å; I129-L132 VanDerWaalsContact O-N 3.14Å; L132-M135 PolarHBondContact O-N 2.95Å; L132-H136 VanDerWaalsContact O-CB 3.27Å; L132-H136 WeakPolarHBondContact O-CB 3.37Å; L132-H136 PolarHBondContact O-N 3.12Å; L132-M197 HydrophobicContact CD1-CB 3.54Å; L132-M197 HydrophobicContact CD1-CE 4.25Å; L132-L198 HydrophobicContact CD2-CD1 3.93Å; L132-F201 HydrophobicContact CB-CD2 4.39Å; L132-F201 HydrophobicContact CD1-CD2 4.15Å
133I78.7Confident78.4Confident31 Ų3156.8 Ų56.816%0.15930%0.3CS..Hα-helixtrans-59.5-49.5177.5-64.6160.9000110.3I124 I125 I129 K130 H136 I137I124-I133 HydrophobicContact CG2-CB 4.42Å; I124-I133 HydrophobicContact CG2-CG1 3.76Å; I125-I133 HydrophobicContact CG1-CD1 4.31Å; I125-I133 HydrophobicContact CG1-CG1 4.38Å; I125-I133 HydrophobicContact CG1-CG2 4.09Å; I129-I133 VanDerWaalsContact O-CG1 3.32Å; I129-I133 WeakPolarHBondContact O-CG1 3.29Å; I129-I133 PolarHBondContact O-N 3.35Å; K130-I133 PolarHBondContact O-N 3.32Å; I133-H136 PolarHBondContact O-N 3.33Å; I133-I137 HydrophobicContact CG2-CD1 3.67Å; I133-I137 HydrophobicContact CG2-CG1 4.44Å; I133-I137 VanDerWaalsContact O-CG1 3.26Å; I133-I137 WeakPolarHBondContact O-CG1 3.4Å; I133-I137 PolarHBondContact O-N 3.24Å
134L77.9Confident78.3Confident105 Ų10558.1 Ų58.155%0.5531%0.308SS..Hα-helixtrans-62.1-49.3-179.4-179.265.9000111.6K130 V131 H136 I137 I138K130-L134 PolarHBondContact O-N 3.31Å; V131-L134 PolarHBondContact O-N 3.36Å; L134-H136 VanDerWaalsContact C-N 3.3Å; L134-H136 PolarHBondContact O-N 3Å; L134-I137 PolarHBondContact O-N 3.45Å; L134-I138 HydrophobicContact CD1-CD1 4.06Å; L134-I138 HydrophobicContact CG-CD1 4.01Å; L134-I138 WeakPolarHBondContact O-CG1 2.85Å; L134-I138 PolarHBondContact O-N 3.48Å; L134-I138 VanDerWaalsContact O-N 3.13Å
135M78.1Confident78.4Confident93 Ų9360.3 Ų60.346%0.45833%0.326SS..Hα-helixtrans-60.9-42.1179.8-71-62-170.700111.4V131 L132 I138 I139 M197V131-M135 HydrophobicContact CG1-CG 4.37Å; V131-M135 WeakPolarHBondContact O-CB 3.41Å; V131-M135 VanDerWaalsContact O-CG 3.28Å; V131-M135 WeakPolarHBondContact O-CG 3.19Å; V131-M135 PolarHBondContact O-N 3.25Å; L132-M135 PolarHBondContact O-N 2.95Å; M135-I138 PolarHBondContact O-N 3.35Å; M135-I139 WeakPolarHBondContact O-CD1 3.43Å; M135-I139 VanDerWaalsContact O-CG1 3.3Å; M135-I139 WeakPolarHBondContact O-CG1 3.42Å; M135-I139 PolarHBondContact O-N 3.17Å; M135-I139 VanDerWaalsContact O-N 3.11Å; M135-M197 HydrophobicContact CB-CE 4.39Å
136H81.2Confident78.5Confident13 Ų1364 Ų646%0.0635%0.346CS..Hα-helixtrans-64-49.7177.8-17383.4000111.6I124 L132 I133 L134 I138 I139 H140I124-H136 HydrophobicContact CD1-CB 3.65Å; I124-H136 WeakPolarHBondContact CD1-CD2 3.14Å; I124-H136 VanDerWaalsContact CD1-CE1 3.46Å; I124-H136 WeakPolarHBondContact CD1-CE1 3.27Å; I124-H136 VanDerWaalsContact CD1-ND1 3.28Å; I124-H136 WeakPolarHBondContact CD1-ND1 3.47Å; I124-H136 WeakPolarHBondContact CD1-NE2 3.5Å; L132-H136 VanDerWaalsContact O-CB 3.27Å; L132-H136 WeakPolarHBondContact O-CB 3.37Å; L132-H136 PolarHBondContact O-N 3.12Å; I133-H136 PolarHBondContact O-N 3.33Å; L134-H136 VanDerWaalsContact C-N 3.3Å; L134-H136 PolarHBondContact O-N 3Å; H136-I138 PolarHBondContact O-N 2.86Å; H136-I139 PolarHBondContact O-N 3.44Å; H136-H140 AromaticContact NE2-CD2 3.68Å; H136-H140 WeakPolarHBondContact O-CB 3.38Å; H136-H140 PolarHBondContact O-N 3.39Å
137I81.1Confident78.7Confident76 Ų7663.9 Ų63.939%0.3935%0.345SS..Hα-helixtrans-56.3-40.8-179.7-69.5167.8000111.3V121 I133 L134 A141V121-I137 HydrophobicContact CG1-CG1 4.32Å; I133-I137 HydrophobicContact CG2-CD1 3.67Å; I133-I137 HydrophobicContact CG2-CG1 4.44Å; I133-I137 VanDerWaalsContact O-CG1 3.26Å; I133-I137 WeakPolarHBondContact O-CG1 3.4Å; I133-I137 PolarHBondContact O-N 3.24Å; L134-I137 PolarHBondContact O-N 3.45Å; I137-A141 WeakPolarHBondContact O-CB 3.48Å; I137-A141 PolarHBondContact O-N 2.97Å
138I81.3Confident78.9Confident97 Ų9765.9 Ų65.950%0.49735%0.351SS..Hα-helixtrans-67-51.5-180-66.2167.7000111.2L134 M135 H136 H140 A141L134-I138 HydrophobicContact CD1-CD1 4.06Å; L134-I138 HydrophobicContact CG-CD1 4.01Å; L134-I138 WeakPolarHBondContact O-CG1 2.85Å; L134-I138 PolarHBondContact O-N 3.48Å; L134-I138 VanDerWaalsContact O-N 3.13Å; M135-I138 PolarHBondContact O-N 3.35Å; H136-I138 PolarHBondContact O-N 2.86Å; I138-H140 PolarHBondContact O-N 3.39Å; I138-A141 PolarHBondContact O-N 2.91Å
139I80.8Confident79.3Confident78 Ų7865 Ų6540%0.435%0.345SS..Hα-helixtrans-62-34.5-178.9-67.3166.7000110.6M135 H136 P143M135-I139 WeakPolarHBondContact O-CD1 3.43Å; M135-I139 VanDerWaalsContact O-CG1 3.3Å; M135-I139 WeakPolarHBondContact O-CG1 3.42Å; M135-I139 PolarHBondContact O-N 3.17Å; M135-I139 VanDerWaalsContact O-N 3.11Å; H136-I139 PolarHBondContact O-N 3.44Å; I139-P143 WeakPolarHBondContact O-CD 3.47Å
140H78Confident79.4Confident11 Ų1169.2 Ų69.25%0.05136%0.358CS..Hα-helixtrans-81.9-25.3-175.9-179.3-101000114.7Q117 H136 I138 L142 P143 E190Q117-H140 WeakPolarHBondContact CB-CE1 3.26Å; Q117-H140 WeakPolarHBondContact CB-NE2 3.21Å; Q117-H140 WeakPolarHBondContact CG-NE2 3.25Å; Q117-H140 PolarHBondContact OE1-CD2 2.95Å; Q117-H140 VanDerWaalsContact OE1-CD2 3.29Å; Q117-H140 PolarHBondContact OE1-NE2 3.23Å; H136-H140 AromaticContact NE2-CD2 3.68Å; H136-H140 WeakPolarHBondContact O-CB 3.38Å; H136-H140 PolarHBondContact O-N 3.39Å; I138-H140 PolarHBondContact O-N 3.39Å; H140-L142 VanDerWaalsContact C-N 3.31Å; H140-L142 PolarHBondContact O-N 3Å; H140-P143 VanDerWaalsContact O-CD 3.3Å; H140-P143 WeakPolarHBondContact O-CD 3.46Å; H140-E190 IonicContact CD2-OE2 2.99Å; H140-E190 PolarHBondContact CD2-OE2 3.09Å; H140-E190 IonicContact CG-OE2 3.95Å; H140-E190 IonicContact NE2-OE2 3.44Å
141A80.4Confident79.5Confident54 Ų5462 Ų6245%0.44633%0.328SS..Hα-helixtrans-68.1-31.8177.300000112.6I137 I138 A145I137-A141 WeakPolarHBondContact O-CB 3.48Å; I137-A141 PolarHBondContact O-N 2.97Å; I138-A141 PolarHBondContact O-N 2.91Å; A141-A145 PolarHBondContact O-N 3.37Å
142L80.1Confident79.6Confident120 Ų12061.2 Ų61.263%0.62832%0.32SS*.Hα-helixtrans-65.2-47.6-175.2-63.8170.5000113.1H140 A145 L146H140-L142 VanDerWaalsContact C-N 3.31Å; H140-L142 PolarHBondContact O-N 3Å; L142-A145 WeakPolarHBondContact O-CB 3.4Å; L142-A145 PolarHBondContact O-N 3.03Å; L142-L146 PolarHBondContact O-N 3.18Å
143P78.7Confident79.8Confident23 Ų2366.1 Ų66.115%0.14935%0.345CS..Hα-helixtrans-74.7-29.2-176.2-18.535.4000112.8I139 H140 A145 L146 L147 I186 E190I139-P143 WeakPolarHBondContact O-CD 3.47Å; H140-P143 VanDerWaalsContact O-CD 3.3Å; H140-P143 WeakPolarHBondContact O-CD 3.46Å; P143-A145 VanDerWaalsContact C-N 3.3Å; P143-A145 PolarHBondContact O-N 2.8Å; P143-L146 PolarHBondContact O-N 3.32Å; P143-L147 WeakPolarHBondContact O-CG 3.5Å; P143-L147 PolarHBondContact O-N 3.49Å; P143-I186 HydrophobicContact CB-CG2 3.36Å; P143-I186 HydrophobicContact CG-CG2 4.32Å; P143-E190 WeakPolarHBondContact CB-OE1 3.21Å; P143-E190 WeakPolarHBondContact CG-OE1 3.48Å
144I79.5Confident79.6Confident49 Ų4966.3 Ų66.325%0.25135%0.345SS..Hα-helixtrans-59.5-43.3170.8-64.2173.3000110.3T114 Q117 L146 L147 F148T114-I144 HydrophobicContact CG2-CG2 4.25Å; Q117-I144 HydrophobicContact CB-CD1 4.28Å; Q117-I144 HydrophobicContact CG-CD1 4.28Å; Q117-I144 HydrophobicContact CG-CG1 4.46Å; I144-L146 VanDerWaalsContact C-N 3.35Å; I144-L146 PolarHBondContact O-N 3.18Å; I144-L147 PolarHBondContact O-N 3.12Å; I144-F148 WeakPolarHBondContact O-CB 3.41Å; I144-F148 PolarHBondContact O-N 3.32Å
145A81.6Confident79.3Confident49 Ų4964.1 Ų64.141%0.40534%0.336SS..Hα-helixtrans-63-41176.800000111.9A141 L142 P143 F148 I149A141-A145 PolarHBondContact O-N 3.37Å; L142-A145 WeakPolarHBondContact O-CB 3.4Å; L142-A145 PolarHBondContact O-N 3.03Å; P143-A145 VanDerWaalsContact C-N 3.3Å; P143-A145 PolarHBondContact O-N 2.8Å; A145-F148 PolarHBondContact O-N 2.88Å; A145-I149 VanDerWaalsContact O-CG1 3.31Å; A145-I149 WeakPolarHBondContact O-CG1 3.31Å; A145-I149 PolarHBondContact O-N 2.92Å
146L81.5Confident79.1Confident97 Ų9765 Ų6551%0.50834%0.342SS..Hα-helixtrans-66.3-43.1177.4-68.5174.7000112.6L142 P143 I144 F148 I149 R150L142-L146 PolarHBondContact O-N 3.18Å; P143-L146 PolarHBondContact O-N 3.32Å; I144-L146 VanDerWaalsContact C-N 3.35Å; I144-L146 PolarHBondContact O-N 3.18Å; L146-F148 VanDerWaalsContact C-N 3.28Å; L146-F148 PolarHBondContact O-N 2.82Å; L146-I149 PolarHBondContact O-N 3.27Å; L146-R150 WeakPolarHBondContact O-CG 3.22Å; L146-R150 PolarHBondContact O-N 3.39Å
147L79.9Confident78.6Confident8 Ų870.6 Ų70.64%0.04237%0.366CS..Hα-helixtrans-59.9-42175.1-76.4172.8000111.1L110 P143 I144 R150 I151 C183 I186L110-L147 HydrophobicContact CD1-CB 4.28Å; P143-L147 WeakPolarHBondContact O-CG 3.5Å; P143-L147 PolarHBondContact O-N 3.49Å; I144-L147 PolarHBondContact O-N 3.12Å; L147-R150 PolarHBondContact O-N 3.44Å; L147-I151 WeakPolarHBondContact O-CD1 3.42Å; L147-I151 WeakPolarHBondContact O-CG1 3.29Å; L147-I151 PolarHBondContact O-N 3.26Å; L147-I151 VanDerWaalsContact O-N 3.09Å; L147-C183 HydrophobicContact CD2-CB 3.93Å; L147-I186 HydrophobicContact CD1-CG2 4.47Å; L147-I186 HydrophobicContact CD2-CD1 4.15Å; L147-I186 HydrophobicContact CG-CD1 4.33Å
148F79.8Confident77.9Confident75 Ų7570.8 Ų70.833%0.32937%0.366SS..Hα-helixtrans-61.6-47.3178-168.4-113.4000112.1V59 L110 I144 A145 L146 R150 I151 I152V59-F148 HydrophobicContact CG2-CE1 4.31Å; V59-F148 HydrophobicContact CG2-CE2 3.4Å; V59-F148 VanDerWaalsContact CG2-CE2 3.4Å; V59-F148 HydrophobicContact CG2-CZ 3.22Å; L110-F148 HydrophobicContact CD2-CD2 3.88Å; L110-F148 HydrophobicContact CD2-CE2 4.36Å; I144-F148 WeakPolarHBondContact O-CB 3.41Å; I144-F148 PolarHBondContact O-N 3.32Å; A145-F148 PolarHBondContact O-N 2.88Å; L146-F148 VanDerWaalsContact C-N 3.28Å; L146-F148 PolarHBondContact O-N 2.82Å; F148-R150 PolarHBondContact O-N 3.35Å; F148-I151 PolarHBondContact O-N 2.86Å; F148-I152 HydrophobicContact CD1-CD1 3.47Å; F148-I152 VanDerWaalsContact CD1-CD1 3.47Å; F148-I152 HydrophobicContact CD2-CD1 4.42Å; F148-I152 HydrophobicContact CE1-CD1 3.11Å; F148-I152 HydrophobicContact CE1-CG1 4.26Å; F148-I152 HydrophobicContact CE2-CD1 4.11Å; F148-I152 HydrophobicContact CE2-CG1 4.48Å; F148-I152 HydrophobicContact CG-CD1 4.12Å; F148-I152 HydrophobicContact CZ-CD1 3.44Å; F148-I152 VanDerWaalsContact CZ-CD1 3.44Å; F148-I152 HydrophobicContact CZ-CG1 4.19Å; F148-I152 WeakPolarHBondContact O-CG1 3.43Å; F148-I152 PolarHBondContact O-N 3.36Å
149I81.8Confident77Confident91 Ų9175 Ų7547%0.46738%0.381SS..Hα-helixtrans-60.6-44.6178.1-67.9163.1000111A145 L146 I151 I152 I153A145-I149 VanDerWaalsContact O-CG1 3.31Å; A145-I149 WeakPolarHBondContact O-CG1 3.31Å; A145-I149 PolarHBondContact O-N 2.92Å; L146-I149 PolarHBondContact O-N 3.27Å; I149-I151 PolarHBondContact O-N 3.05Å; I149-I152 PolarHBondContact O-N 3.02Å; I149-I153 HydrophobicContact CG2-CD1 3.66Å; I149-I153 HydrophobicContact CG2-CG1 4.41Å; I149-I153 VanDerWaalsContact O-CG1 3.27Å; I149-I153 WeakPolarHBondContact O-CG1 3.42Å; I149-I153 PolarHBondContact O-N 2.96Å
150R78.4Confident76.1Confident128 Ų12873.9 Ų73.948%0.48339%0.389SS..Hα-helixtrans-62.2-44.1-179.9-73.2179.9-178.8-91.21.2112.6L146 L147 F148 I153 F154L146-R150 WeakPolarHBondContact O-CG 3.22Å; L146-R150 PolarHBondContact O-N 3.39Å; L147-R150 PolarHBondContact O-N 3.44Å; F148-R150 PolarHBondContact O-N 3.35Å; R150-I153 PolarHBondContact O-N 3.33Å; R150-F154 WeakPolarHBondContact O-CB 3.37Å; R150-F154 PolarHBondContact O-N 3.38Å
151I78.3Confident74.7Confident19 Ų1977.5 Ų77.510%0.09741%0.408CS..Hα-helixtrans-70.9-34.5-178.3-68.3162.2000111.2P106 L110 L147 F148 I149 T155P106-I151 HydrophobicContact CB-CG1 4.48Å; P106-I151 HydrophobicContact CB-CG2 4.35Å; L110-I151 HydrophobicContact CB-CD1 3.57Å; L110-I151 HydrophobicContact CD1-CD1 3.82Å; L110-I151 HydrophobicContact CD2-CD1 4.12Å; L110-I151 HydrophobicContact CG-CD1 4.01Å; L147-I151 WeakPolarHBondContact O-CD1 3.42Å; L147-I151 WeakPolarHBondContact O-CG1 3.29Å; L147-I151 PolarHBondContact O-N 3.26Å; L147-I151 VanDerWaalsContact O-N 3.09Å; F148-I151 PolarHBondContact O-N 2.86Å; I149-I151 PolarHBondContact O-N 3.05Å; I151-T155 WeakPolarHBondContact O-CB 3.48Å; I151-T155 PolarHBondContact O-N 3.44Å; I151-T155 PolarHBondContact O-OG1 3.05Å
152I79.7Confident73.5Confident67 Ų6780.4 Ų80.434%0.34442%0.423SS..Hα-helixtrans-62.2-51.8171-72.1166.9000110.5F148 I149 F154 T155 I156F148-I152 HydrophobicContact CD1-CD1 3.47Å; F148-I152 VanDerWaalsContact CD1-CD1 3.47Å; F148-I152 HydrophobicContact CD2-CD1 4.42Å; F148-I152 HydrophobicContact CE1-CD1 3.11Å; F148-I152 HydrophobicContact CE1-CG1 4.26Å; F148-I152 HydrophobicContact CE2-CD1 4.11Å; F148-I152 HydrophobicContact CE2-CG1 4.48Å; F148-I152 HydrophobicContact CG-CD1 4.12Å; F148-I152 HydrophobicContact CZ-CD1 3.44Å; F148-I152 VanDerWaalsContact CZ-CD1 3.44Å; F148-I152 HydrophobicContact CZ-CG1 4.19Å; F148-I152 WeakPolarHBondContact O-CG1 3.43Å; F148-I152 PolarHBondContact O-N 3.36Å; I149-I152 PolarHBondContact O-N 3.02Å; I152-F154 VanDerWaalsContact C-N 3.28Å; I152-F154 PolarHBondContact O-N 3.39Å; I152-T155 PolarHBondContact O-N 3.37Å; I152-T155 VanDerWaalsContact O-N 3.08Å; I152-I156 HydrophobicContact CG2-CD1 3.54Å; I152-I156 HydrophobicContact CG2-CG1 4.19Å; I152-I156 WeakPolarHBondContact O-CG1 3.29Å; I152-I156 PolarHBondContact O-N 3.37Å
153I78.6Confident72Confident105 Ų10577.6 Ų77.654%0.53842%0.423SS..Hα-helixtrans-58.1-44.4179.9-67.9165.7000110.4I149 R150 T155 I156 F157I149-I153 HydrophobicContact CG2-CD1 3.66Å; I149-I153 HydrophobicContact CG2-CG1 4.41Å; I149-I153 VanDerWaalsContact O-CG1 3.27Å; I149-I153 WeakPolarHBondContact O-CG1 3.42Å; I149-I153 PolarHBondContact O-N 2.96Å; R150-I153 PolarHBondContact O-N 3.33Å; I153-T155 PolarHBondContact O-N 3.07Å; I153-I156 PolarHBondContact O-N 3.11Å; I153-F157 WeakPolarHBondContact O-CB 3.23Å; I153-F157 PolarHBondContact O-N 3.07Å
154F74.8Confident70.8Confident35 Ų3577.8 Ų77.815%0.15443%0.425CS..Hα-helixtrans-58.6-46.1175.3178.5-97.5000111.8P106 R150 I152 I156 F157 M158 P175P106-F154 HydrophobicContact CG-CD1 4.01Å; P106-F154 HydrophobicContact CG-CE1 3.84Å; R150-F154 WeakPolarHBondContact O-CB 3.37Å; R150-F154 PolarHBondContact O-N 3.38Å; I152-F154 VanDerWaalsContact C-N 3.28Å; I152-F154 PolarHBondContact O-N 3.39Å; F154-I156 PolarHBondContact O-N 3.09Å; F154-F157 PolarHBondContact O-N 3.11Å; F154-M158 HydrophobicContact CD1-CG 4.33Å; F154-M158 HydrophobicContact CE1-CG 3.9Å; F154-M158 HydrophobicContact CE2-CG 4.18Å; F154-M158 HydrophobicContact CE2-SD 4.36Å; F154-M158 HydrophobicContact CZ-CG 3.83Å; F154-M158 HydrophobicContact CZ-SD 4.17Å; F154-M158 VanDerWaalsContact O-CG 3.27Å; F154-M158 WeakPolarHBondContact O-CG 3.25Å; F154-M158 PolarHBondContact O-N 3.32Å; F154-P175 HydrophobicContact CE2-CB 4.44Å
155T72.2Confident69.6Low59 Ų5985 Ų8536%0.36245%0.449SS..Hα-helixtrans-66.3-39.3-179.7-54.50000111.9I151 I152 I153 M158 F159I151-T155 WeakPolarHBondContact O-CB 3.48Å; I151-T155 PolarHBondContact O-N 3.44Å; I151-T155 PolarHBondContact O-OG1 3.05Å; I152-T155 PolarHBondContact O-N 3.37Å; I152-T155 VanDerWaalsContact O-N 3.08Å; I153-T155 PolarHBondContact O-N 3.07Å; T155-M158 PolarHBondContact O-N 3.21Å; T155-F159 PolarHBondContact O-N 3.16Å
156I74Confident67.9Low112 Ų11290.2 Ų90.257%0.57447%0.469SS*.Hα-helixtrans-64.4-46176.3-68.1169.9000110.4I152 I153 F154 M158 F159 G160I152-I156 HydrophobicContact CG2-CD1 3.54Å; I152-I156 HydrophobicContact CG2-CG1 4.19Å; I152-I156 WeakPolarHBondContact O-CG1 3.29Å; I152-I156 PolarHBondContact O-N 3.37Å; I153-I156 PolarHBondContact O-N 3.11Å; F154-I156 PolarHBondContact O-N 3.09Å; I156-M158 VanDerWaalsContact C-N 3.32Å; I156-M158 PolarHBondContact O-N 2.66Å; I156-F159 PolarHBondContact O-N 3.38Å; I156-G160 PolarHBondContact O-N 3.09Å
157F71.1Confident66.2Low129 Ų12991.1 Ų91.157%0.56647%0.473SS*.Hα-helixtrans-60.7-41.9179.1-173.8-98000111.9I153 F154 F159I153-F157 WeakPolarHBondContact O-CB 3.23Å; I153-F157 PolarHBondContact O-N 3.07Å; F154-F157 PolarHBondContact O-N 3.11Å; F157-F159 VanDerWaalsContact C-N 3.32Å; F157-F159 PolarHBondContact O-N 3.44Å
158M65.2Low65Low80 Ų8093.4 Ų93.439%0.39449%0.486SS..Hα-helixtrans-67.3-27.2177.5-68.9-60.8-64.400113.8F154 T155 I156F154-M158 HydrophobicContact CD1-CG 4.33Å; F154-M158 HydrophobicContact CE1-CG 3.9Å; F154-M158 HydrophobicContact CE2-CG 4.18Å; F154-M158 HydrophobicContact CE2-SD 4.36Å; F154-M158 HydrophobicContact CZ-CG 3.83Å; F154-M158 HydrophobicContact CZ-SD 4.17Å; F154-M158 VanDerWaalsContact O-CG 3.27Å; F154-M158 WeakPolarHBondContact O-CG 3.25Å; F154-M158 PolarHBondContact O-N 3.32Å; T155-M158 PolarHBondContact O-N 3.21Å; I156-M158 VanDerWaalsContact C-N 3.32Å; I156-M158 PolarHBondContact O-N 2.66Å
159F63.5Low63.6Low187 Ų18795.8 Ų95.882%0.8251%0.507SS*.Hα-helixtrans-89.7-28.2178.9-166.5-100.8000112.8T155 I156 F157 N161T155-F159 PolarHBondContact O-N 3.16Å; I156-F159 PolarHBondContact O-N 3.38Å; F157-F159 VanDerWaalsContact C-N 3.32Å; F157-F159 PolarHBondContact O-N 3.44Å; F159-N161 PolarHBondContact O-N 3.06Å
160G61.2Low61.9Low54 Ų5496.1 Ų96.156%0.55751%0.513SS*.Hα-helixtrans-73.5-21.1-174.200000115.6I156I156-G160 PolarHBondContact O-N 3.09Å
161N49.3Very low60.7Low86 Ų8695.5 Ų95.546%0.4652%0.516SS..  trans-123.297.7-178.7-87.3-33.1000111.9F159 G163 S164F159-N161 PolarHBondContact O-N 3.06Å; N161-G163 PolarHBondContact O-N 3Å; N161-G163 VanDerWaalsContact O-N 3.17Å; N161-S164 PolarHBondContact O-N 3.45Å; N161-S164 PolarHBondContact O-OG 2.91Å
162P54.6Low59.8Low116 Ų11696.3 Ų96.375%0.75352%0.523SS*.G310 helixtrans-61.2-23.6171.422.5-30.5000112.6
163G49.1Very low58.7Low61 Ų6198.2 Ų98.263%0.62953%0.534SS*.G310 helixtrans-83.1-13.617800000116N161 R165N161-G163 PolarHBondContact O-N 3Å; N161-G163 VanDerWaalsContact O-N 3.17Å; G163-R165 PolarHBondContact O-N 3.31Å
164S53.3Low57.9Low26 Ų2698.2 Ų98.218%0.18253%0.534CS..G310 helixtrans-73.4-9.6178.860.40000113.1N161 L166 L167N161-S164 PolarHBondContact O-N 3.45Å; N161-S164 PolarHBondContact O-OG 2.91Å; S164-L166 PolarHBondContact O-N 3.41Å; S164-L167 PolarHBondContact O-N 3.43Å
165R53.9Low57.5Low201 Ų20198.9 Ų98.976%0.75854%0.542SS*.G310 helixtrans-62.3-21176.1-75.8177.7150.3178-6.1114.9G163 D168G163-R165 PolarHBondContact O-N 3.31Å; R165-D168 VanDerWaalsContact CA-OD2 3.25Å; R165-D168 WeakPolarHBondContact CA-OD2 3.32Å; R165-D168 VanDerWaalsContact O-CB 3.3Å; R165-D168 WeakPolarHBondContact O-CB 3.41Å
166L46.3Very low57.1Low159 Ų159101.2 Ų101.283%0.83254%0.544SS*.G310 helixtrans-91.2-19.5179.7-162.471.3000112.8S164 D168S164-L166 PolarHBondContact O-N 3.41Å; L166-D168 PolarHBondContact O-N 3.37Å
167L45.7Very low56.6Low115 Ų115100.1 Ų100.160%0.60254%0.539SS*.SBendtrans-90.519169.2-15080.5000111.1S164 T169 E171S164-L167 PolarHBondContact O-N 3.43Å; L167-T169 VanDerWaalsContact C-N 3.29Å; L167-T169 PolarHBondContact O-N 3.38Å; L167-E171 HydrophobicContact CD2-CB 4.12Å; L167-E171 HydrophobicContact CD2-CG 3.93Å; L167-E171 HydrophobicContact CG-CB 4.44Å; L167-E171 HydrophobicContact CG-CG 4.32Å
168D53.6Low56.5Low57 Ų5796.8 Ų96.831%0.30553%0.529SS..THydrogen-bonded Turntrans-74.5-14.5-176.1-86.9-16.4000113.3R165 L166 S172R165-D168 VanDerWaalsContact CA-OD2 3.25Å; R165-D168 WeakPolarHBondContact CA-OD2 3.32Å; R165-D168 VanDerWaalsContact O-CB 3.3Å; R165-D168 WeakPolarHBondContact O-CB 3.41Å; L166-D168 PolarHBondContact O-N 3.37Å; D168-S172 WeakPolarHBondContact O-CB 3.26Å; D168-S172 PolarHBondContact O-OG 3.39Å
169T50.3Low56.7Low124 Ų12494.6 Ų94.676%0.76152%0.52SS*.THydrogen-bonded Turntrans-81.9-29.9-168.953.90000114.6L167L167-T169 VanDerWaalsContact C-N 3.29Å; L167-T169 PolarHBondContact O-N 3.38Å
170T46Very low57Low99 Ų9986.9 Ų86.961%0.60749%0.49SS*.THydrogen-bonded Turntrans-122.9-42.4-176.859.10000113.4
171E55Low57.5Low115 Ų11588 Ų8854%0.53749%0.486SS..THydrogen-bonded Turntrans-84.2-22.9-176.5-66.4-61.5147.200113.2L167 P175L167-E171 HydrophobicContact CD2-CB 4.12Å; L167-E171 HydrophobicContact CD2-CG 3.93Å; L167-E171 HydrophobicContact CG-CB 4.44Å; L167-E171 HydrophobicContact CG-CG 4.32Å; E171-P175 WeakPolarHBondContact O-CD 3.08Å
172S57.9Low58.6Low36 Ų3686.5 Ų86.525%0.25248%0.477SS..THydrogen-bonded Turntrans-80.1-25.3-179.586.20000113.9D168 L174 P175 R176D168-S172 WeakPolarHBondContact O-CB 3.26Å; D168-S172 PolarHBondContact O-OG 3.39Å; S172-L174 VanDerWaalsContact C-N 3.29Å; S172-L174 PolarHBondContact O-N 3.04Å; S172-P175 VanDerWaalsContact O-CD 3.3Å; S172-P175 WeakPolarHBondContact O-CD 3.37Å; S172-P175 WeakPolarHBondContact O-CG 3.48Å; S172-R176 WeakPolarHBondContact O-CB 3.4Å; S172-R176 PolarHBondContact O-N 3.23Å
173L57.4Low59.5Low107 Ų10781.2 Ų81.256%0.5644%0.443SS*.Hα-helixtrans-67.2-35.6178.3-163.895.1000110.6R176 L177L173-R176 PolarHBondContact O-N 2.86Å; L173-L177 HydrophobicContact CD2-CD1 3.52Å; L173-L177 HydrophobicContact CD2-CG 4.46Å; L173-L177 HydrophobicContact CG-CD1 3.81Å; L173-L177 HydrophobicContact CG-CG 4.26Å; L173-L177 WeakPolarHBondContact O-CB 3.49Å; L173-L177 WeakPolarHBondContact O-CG 3.16Å; L173-L177 PolarHBondContact O-N 3.47Å
174L62.5Low60.5Low105 Ų10580.5 Ų80.555%0.5542%0.424SS..Hα-helixtrans-65.6-51.6-178.3-168.466000113.8S172 R176 L177 T178S172-L174 VanDerWaalsContact C-N 3.29Å; S172-L174 PolarHBondContact O-N 3.04Å; L174-R176 VanDerWaalsContact C-N 3.25Å; L174-R176 PolarHBondContact O-N 3.01Å; L174-L177 PolarHBondContact O-N 2.94Å; L174-T178 HydrophobicContact CD1-CG2 4.23Å; L174-T178 HydrophobicContact CG-CG2 4.27Å; L174-T178 WeakPolarHBondContact O-CB 3.43Å; L174-T178 WeakPolarHBondContact O-CG2 3.36Å; L174-T178 PolarHBondContact O-N 2.95Å; L174-T178 PolarHBondContact O-OG1 3.4Å
175P65.8Low61.6Low49 Ų4984.2 Ų84.232%0.31844%0.442SS..Hα-helixtrans-62.2-36.3174.523.5-30.8000110.9F154 E171 S172 T178 T179F154-P175 HydrophobicContact CE2-CB 4.44Å; E171-P175 WeakPolarHBondContact O-CD 3.08Å; S172-P175 VanDerWaalsContact O-CD 3.3Å; S172-P175 WeakPolarHBondContact O-CD 3.37Å; S172-P175 WeakPolarHBondContact O-CG 3.48Å; P175-T178 WeakPolarHBondContact CA-OG1 3.45Å; P175-T178 PolarHBondContact O-N 3.21Å; P175-T178 PolarHBondContact O-OG1 3.01Å; P175-T179 WeakPolarHBondContact O-CB 3.46Å; P175-T179 WeakPolarHBondContact O-CG2 3.27Å; P175-T179 PolarHBondContact O-N 2.89Å; P175-T179 PolarHBondContact O-OG1 3.38Å
176R63Low62.8Low107 Ų10776 Ų7640%0.40441%0.413SS..Hα-helixtrans-64.3-49.2176.8-174.9164.4-116.2173.3-9.8112.1K104 D105 S172 L173 L174 T179 S180K104-R176 PolarHBondContact O-NE 3.5Å; D105-R176 IonicContact OD1-NH2 3.86Å; D105-R176 PolarHBondContact OD1-NH2 2.9Å; S172-R176 WeakPolarHBondContact O-CB 3.4Å; S172-R176 PolarHBondContact O-N 3.23Å; L173-R176 PolarHBondContact O-N 2.86Å; L174-R176 VanDerWaalsContact C-N 3.25Å; L174-R176 PolarHBondContact O-N 3.01Å; R176-T179 PolarHBondContact O-N 3.45Å; R176-T179 PolarHBondContact O-OG1 3.36Å; R176-S180 PolarHBondContact O-N 2.8Å
177L64.2Low64.3Low90 Ų9068.8 Ų68.847%0.47137%0.374SS..Hα-helixtrans-64.2-41.7175-76.1169.7000112.2L173 L174 T179 S180 V181L173-L177 HydrophobicContact CD2-CD1 3.52Å; L173-L177 HydrophobicContact CD2-CG 4.46Å; L173-L177 HydrophobicContact CG-CD1 3.81Å; L173-L177 HydrophobicContact CG-CG 4.26Å; L173-L177 WeakPolarHBondContact O-CB 3.49Å; L173-L177 WeakPolarHBondContact O-CG 3.16Å; L173-L177 PolarHBondContact O-N 3.47Å; L174-L177 PolarHBondContact O-N 2.94Å; L177-T179 VanDerWaalsContact C-N 3.35Å; L177-T179 PolarHBondContact O-N 2.84Å; L177-S180 PolarHBondContact O-N 2.98Å; L177-S180 PolarHBondContact O-OG 3.47Å; L177-V181 VanDerWaalsContact O-CG2 3.25Å; L177-V181 WeakPolarHBondContact O-CG2 3.2Å; L177-V181 PolarHBondContact O-N 3.35Å
178T68.7Low65.8Low59 Ų5966.9 Ų66.936%0.36237%0.37SS..Hα-helixtrans-66.2-38.518057.20000111.3L174 P175 S180 V181 I182L174-T178 HydrophobicContact CD1-CG2 4.23Å; L174-T178 HydrophobicContact CG-CG2 4.27Å; L174-T178 WeakPolarHBondContact O-CB 3.43Å; L174-T178 WeakPolarHBondContact O-CG2 3.36Å; L174-T178 PolarHBondContact O-N 2.95Å; L174-T178 PolarHBondContact O-OG1 3.4Å; P175-T178 WeakPolarHBondContact CA-OG1 3.45Å; P175-T178 PolarHBondContact O-N 3.21Å; P175-T178 PolarHBondContact O-OG1 3.01Å; T178-S180 PolarHBondContact O-N 3.43Å; T178-V181 PolarHBondContact O-N 3.49Å; T178-I182 WeakPolarHBondContact O-CB 3.14Å; T178-I182 WeakPolarHBondContact O-CD1 3.42Å; T178-I182 WeakPolarHBondContact O-CG1 3.47Å; T178-I182 PolarHBondContact O-N 3.28Å
179T70.3Confident67Low34 Ų3469.9 Ų69.921%0.20938%0.382CS..Hα-helixtrans-64.1-39.9176.3610000112.6P175 R176 L177 C183P175-T179 WeakPolarHBondContact O-CB 3.46Å; P175-T179 WeakPolarHBondContact O-CG2 3.27Å; P175-T179 PolarHBondContact O-N 2.89Å; P175-T179 PolarHBondContact O-OG1 3.38Å; R176-T179 PolarHBondContact O-N 3.45Å; R176-T179 PolarHBondContact O-OG1 3.36Å; L177-T179 VanDerWaalsContact C-N 3.35Å; L177-T179 PolarHBondContact O-N 2.84Å; T179-C183 VanDerWaalsContact O-CB 3.27Å; T179-C183 WeakPolarHBondContact O-CB 3.13Å; T179-C183 PolarHBondContact O-N 2.95Å; T179-C183 VanDerWaalsContact O-N 3.07Å
180S68.3Low68.3Low25 Ų2564.5 Ų64.518%0.17535%0.348CS..Hα-helixtrans-68.9-44176.663.40000111.5R176 L177 T178 C183 L184R176-S180 PolarHBondContact O-N 2.8Å; L177-S180 PolarHBondContact O-N 2.98Å; L177-S180 PolarHBondContact O-OG 3.47Å; T178-S180 PolarHBondContact O-N 3.43Å; S180-C183 WeakPolarHBondContact O-CB 3.09Å; S180-C183 PolarHBondContact O-N 3.17Å; S180-L184 WeakPolarHBondContact O-CD1 3.47Å; S180-L184 WeakPolarHBondContact O-CG 3.36Å; S180-L184 PolarHBondContact O-N 3.48Å
181V72.5Confident69.8Low78 Ų7860.5 Ų60.547%0.47333%0.325SS..Hα-helixtrans-62.6-45.2178.6174.70000112L177 T178 C183 L184 L185L177-V181 VanDerWaalsContact O-CG2 3.25Å; L177-V181 WeakPolarHBondContact O-CG2 3.2Å; L177-V181 PolarHBondContact O-N 3.35Å; T178-V181 PolarHBondContact O-N 3.49Å; V181-C183 VanDerWaalsContact C-N 3.34Å; V181-C183 PolarHBondContact O-N 3.11Å; V181-L184 WeakPolarHBondContact O-CB 3.38Å; V181-L184 PolarHBondContact O-N 3.27Å; V181-L185 HydrophobicContact CG1-CD1 4.47Å; V181-L185 WeakPolarHBondContact O-CG 3.49Å; V181-L185 PolarHBondContact O-N 3.5Å
182I73.2Confident71Confident54 Ų5458.6 Ų58.628%0.27732%0.321SS..Hα-helixtrans-64.6-41.4178.2-66.8164.3000110.6T178 L184 L185 I186T178-I182 WeakPolarHBondContact O-CB 3.14Å; T178-I182 WeakPolarHBondContact O-CD1 3.42Å; T178-I182 WeakPolarHBondContact O-CG1 3.47Å; T178-I182 PolarHBondContact O-N 3.28Å; I182-L184 VanDerWaalsContact C-N 3.29Å; I182-L184 PolarHBondContact O-N 3.06Å; I182-L185 PolarHBondContact O-N 3.01Å; I182-I186 HydrophobicContact CG2-CD1 3.94Å; I182-I186 WeakPolarHBondContact O-CG1 3.36Å; I182-I186 PolarHBondContact O-N 3.21Å; I182-I186 VanDerWaalsContact O-N 3.16Å
183C72.2Confident71.9Confident5 Ų560.1 Ų60.13%0.03433%0.325CS..Hα-helixtrans-58.4-45.5175.5-1650000110.6I109 L147 T179 S180 V181 L185 I186 M187I109-C183 HydrophobicContact CG2-CB 4.13Å; I109-C183 VanDerWaalsContact CG2-SG 3.59Å; L147-C183 HydrophobicContact CD2-CB 3.93Å; T179-C183 VanDerWaalsContact O-CB 3.27Å; T179-C183 WeakPolarHBondContact O-CB 3.13Å; T179-C183 PolarHBondContact O-N 2.95Å; T179-C183 VanDerWaalsContact O-N 3.07Å; S180-C183 WeakPolarHBondContact O-CB 3.09Å; S180-C183 PolarHBondContact O-N 3.17Å; V181-C183 VanDerWaalsContact C-N 3.34Å; V181-C183 PolarHBondContact O-N 3.11Å; C183-L185 PolarHBondContact O-N 3.18Å; C183-I186 PolarHBondContact O-N 2.86Å; C183-M187 WeakPolarHBondContact O-CB 3.35Å; C183-M187 WeakPolarHBondContact O-CG 3.35Å; C183-M187 PolarHBondContact O-N 3.44Å
184L69.5Low72.8Confident45 Ų4555.2 Ų55.224%0.23630%0.3CS..Hα-helixtrans-62.3-40.1179.2-69.7164.9000113.6F101 S180 V181 I182 M187 C188F101-L184 HydrophobicContact CB-CD2 3.99Å; F101-L184 HydrophobicContact CD2-CD1 3.27Å; F101-L184 HydrophobicContact CD2-CD2 3.69Å; F101-L184 HydrophobicContact CD2-CG 4.09Å; F101-L184 HydrophobicContact CE2-CD1 3.6Å; F101-L184 HydrophobicContact CG-CD1 4.31Å; F101-L184 HydrophobicContact CG-CD2 4.35Å; S180-L184 WeakPolarHBondContact O-CD1 3.47Å; S180-L184 WeakPolarHBondContact O-CG 3.36Å; S180-L184 PolarHBondContact O-N 3.48Å; V181-L184 WeakPolarHBondContact O-CB 3.38Å; V181-L184 PolarHBondContact O-N 3.27Å; I182-L184 VanDerWaalsContact C-N 3.29Å; I182-L184 PolarHBondContact O-N 3.06Å; L184-M187 PolarHBondContact O-N 2.86Å; L184-C188 VanDerWaalsContact O-CB 3.24Å; L184-C188 WeakPolarHBondContact O-CB 3.26Å; L184-C188 PolarHBondContact O-N 2.86Å
185L76.8Confident73.4Confident105 Ų10553.6 Ų53.655%0.5529%0.291SS..Hα-helixtrans-61.8-49.2176.9-70.8172.6000111.1V181 I182 C183 M187 C188 E189V181-L185 HydrophobicContact CG1-CD1 4.47Å; V181-L185 WeakPolarHBondContact O-CG 3.49Å; V181-L185 PolarHBondContact O-N 3.5Å; I182-L185 PolarHBondContact O-N 3.01Å; C183-L185 PolarHBondContact O-N 3.18Å; L185-M187 VanDerWaalsContact C-N 3.35Å; L185-M187 PolarHBondContact O-N 2.97Å; L185-C188 PolarHBondContact O-N 3.38Å; L185-E189 WeakPolarHBondContact O-CB 3.34Å; L185-E189 WeakPolarHBondContact O-CG 3.26Å; L185-E189 PolarHBondContact O-N 3.08Å
186I79.4Confident74.1Confident29 Ų2955.4 Ų55.415%0.14930%0.297CS..Hα-helixtrans-58.8-48.3177.9-68.5168.6000110.5P143 L147 I182 C183 E190P143-I186 HydrophobicContact CB-CG2 3.36Å; P143-I186 HydrophobicContact CG-CG2 4.32Å; L147-I186 HydrophobicContact CD1-CG2 4.47Å; L147-I186 HydrophobicContact CD2-CD1 4.15Å; L147-I186 HydrophobicContact CG-CD1 4.33Å; I182-I186 HydrophobicContact CG2-CD1 3.94Å; I182-I186 WeakPolarHBondContact O-CG1 3.36Å; I182-I186 PolarHBondContact O-N 3.21Å; I182-I186 VanDerWaalsContact O-N 3.16Å; C183-I186 PolarHBondContact O-N 2.86Å; I186-E190 WeakPolarHBondContact CG2-OE1 3.21Å; I186-E190 WeakPolarHBondContact O-CG 3.41Å; I186-E190 PolarHBondContact O-N 3.38Å
187M77.5Confident74.6Confident6 Ų652.9 Ų52.93%0.0329%0.291CS..Hα-helixtrans-61.2-50.8179.9-65.2-57-66.400110.4R97 S116 Q117 C183 L184 L185 E189 E190 S191R97-M187 HydrophobicContact CG-CE 4.07Å; R97-M187 PolarHBondContact NH1-O 3.37Å; S116-M187 WeakPolarHBondContact OG-CE 3.37Å; Q117-M187 HydrophobicContact CG-CE 3.92Å; Q117-M187 HydrophobicContact CG-SD 4.23Å; Q117-M187 PolarHBondContact NE2-SD 3.3Å; C183-M187 WeakPolarHBondContact O-CB 3.35Å; C183-M187 WeakPolarHBondContact O-CG 3.35Å; C183-M187 PolarHBondContact O-N 3.44Å; L184-M187 PolarHBondContact O-N 2.86Å; L185-M187 VanDerWaalsContact C-N 3.35Å; L185-M187 PolarHBondContact O-N 2.97Å; M187-E189 PolarHBondContact O-N 3.35Å; M187-E190 PolarHBondContact O-N 3.47Å; M187-S191 PolarHBondContact O-N 3.41Å; M187-S191 PolarHBondContact O-OG 2.68Å
188C78.6Confident75.1Confident75 Ų7550 Ų5051%0.50728%0.276SS..Hα-helixtrans-58.9-46-177.5-165.10000112L184 L185 E190 S191 V192L184-C188 VanDerWaalsContact O-CB 3.24Å; L184-C188 WeakPolarHBondContact O-CB 3.26Å; L184-C188 PolarHBondContact O-N 2.86Å; L185-C188 PolarHBondContact O-N 3.38Å; C188-E190 VanDerWaalsContact C-N 3.34Å; C188-E190 PolarHBondContact O-N 3.01Å; C188-S191 PolarHBondContact O-N 3.35Å; C188-S191 PolarHBondContact O-OG 3.11Å; C188-V192 WeakPolarHBondContact O-CG2 3.27Å; C188-V192 PolarHBondContact O-N 2.99Å
189E78.2Confident75.4Confident121 Ų12151.9 Ų51.957%0.56528%0.283SS*.Hα-helixtrans-57.3-45.3178.1-78.4177.9174.100111.8L185 M187 S191 V192 I193L185-E189 WeakPolarHBondContact O-CB 3.34Å; L185-E189 WeakPolarHBondContact O-CG 3.26Å; L185-E189 PolarHBondContact O-N 3.08Å; M187-E189 PolarHBondContact O-N 3.35Å; E189-S191 PolarHBondContact O-N 3.44Å; E189-V192 PolarHBondContact O-N 3.13Å; E189-V192 VanDerWaalsContact O-N 3.14Å; E189-I193 HydrophobicContact CB-CD1 4.45Å; E189-I193 WeakPolarHBondContact O-CD1 3.49Å; E189-I193 VanDerWaalsContact O-CG1 3.25Å; E189-I193 WeakPolarHBondContact O-CG1 3.47Å; E189-I193 PolarHBondContact O-N 3.45Å
190E77.3Confident75.4Confident10 Ų1055 Ų555%0.04730%0.299CS..Hα-helixtrans-66.2-35.4-178.3-72.7178.3-150.400113.6Q117 H140 P143 I186 M187 C188 V192 S194Q117-E190 PolarHBondContact NE2-OE2 2.85Å; Q117-E190 PolarHBondContact OE1-OE2 2.92Å; H140-E190 IonicContact CD2-OE2 2.99Å; H140-E190 PolarHBondContact CD2-OE2 3.09Å; H140-E190 IonicContact CG-OE2 3.95Å; H140-E190 IonicContact NE2-OE2 3.44Å; P143-E190 WeakPolarHBondContact CB-OE1 3.21Å; P143-E190 WeakPolarHBondContact CG-OE1 3.48Å; I186-E190 WeakPolarHBondContact CG2-OE1 3.21Å; I186-E190 WeakPolarHBondContact O-CG 3.41Å; I186-E190 PolarHBondContact O-N 3.38Å; M187-E190 PolarHBondContact O-N 3.47Å; C188-E190 VanDerWaalsContact C-N 3.34Å; C188-E190 PolarHBondContact O-N 3.01Å; E190-V192 VanDerWaalsContact C-N 3.31Å; E190-V192 PolarHBondContact O-N 3.18Å; E190-S194 WeakPolarHBondContact O-CB 3.27Å; E190-S194 PolarHBondContact O-N 2.9Å
191S78.4Confident75.4Confident16 Ų1656 Ų5611%0.11230%0.3CS..Hα-helixtrans-63.3-40.7173.229.10000111.6R97 M187 C188 E189 L195R97-S191 PolarHBondContact NH1-OG 2.82Å; M187-S191 PolarHBondContact O-N 3.41Å; M187-S191 PolarHBondContact O-OG 2.68Å; C188-S191 PolarHBondContact O-N 3.35Å; C188-S191 PolarHBondContact O-OG 3.11Å; E189-S191 PolarHBondContact O-N 3.44Å; S191-L195 PolarHBondContact O-N 3.33Å; S191-L195 VanDerWaalsContact O-N 3.08Å
192V78.5Confident75Confident75 Ų7555.3 Ų55.346%0.45530%0.298SS..Hα-helixtrans-69.6-45.1-179.7175.60000110.3C188 E189 E190 S194 L195 I196C188-V192 WeakPolarHBondContact O-CG2 3.27Å; C188-V192 PolarHBondContact O-N 2.99Å; E189-V192 PolarHBondContact O-N 3.13Å; E189-V192 VanDerWaalsContact O-N 3.14Å; E190-V192 VanDerWaalsContact C-N 3.31Å; E190-V192 PolarHBondContact O-N 3.18Å; V192-S194 VanDerWaalsContact C-N 3.32Å; V192-S194 PolarHBondContact O-N 3.1Å; V192-L195 PolarHBondContact O-N 3.42Å; V192-I196 HydrophobicContact CG1-CD1 3.69Å; V192-I196 HydrophobicContact CG1-CG1 4.3Å; V192-I196 VanDerWaalsContact O-CG1 3.3Å; V192-I196 WeakPolarHBondContact O-CG1 3.22Å; V192-I196 PolarHBondContact O-N 2.94Å
193I76.9Confident74.3Confident68 Ų6855.8 Ų55.835%0.34930%0.303SS..Hα-helixtrans-59.3-44.7176.5-66.7161.1000110.4E189 L195 I196 M197E189-I193 HydrophobicContact CB-CD1 4.45Å; E189-I193 WeakPolarHBondContact O-CD1 3.49Å; E189-I193 VanDerWaalsContact O-CG1 3.25Å; E189-I193 WeakPolarHBondContact O-CG1 3.47Å; E189-I193 PolarHBondContact O-N 3.45Å; I193-L195 VanDerWaalsContact C-N 3.34Å; I193-L195 PolarHBondContact O-N 2.92Å; I193-I196 PolarHBondContact O-N 2.93Å; I193-M197 HydrophobicContact CG2-CG 4.19Å; I193-M197 WeakPolarHBondContact O-CB 3.29Å; I193-M197 WeakPolarHBondContact O-CG 3.42Å; I193-M197 PolarHBondContact O-N 2.74Å
194S78.1Confident73.7Confident3 Ų360.9 Ų60.92%0.02133%0.33CS..Hα-helixtrans-60.3-43.1177.2-169.20000112.3I124 E190 V192 M197 L198I124-S194 VanDerWaalsContact CD1-OG 3.29Å; I124-S194 WeakPolarHBondContact CD1-OG 3.43Å; E190-S194 WeakPolarHBondContact O-CB 3.27Å; E190-S194 PolarHBondContact O-N 2.9Å; V192-S194 VanDerWaalsContact C-N 3.32Å; V192-S194 PolarHBondContact O-N 3.1Å; S194-M197 PolarHBondContact O-N 2.74Å; S194-L198 WeakPolarHBondContact O-CB 3.46Å; S194-L198 PolarHBondContact O-N 3.46Å
195L75.2Confident73Confident72 Ų7262.6 Ų62.638%0.37734%0.344SS..Hα-helixtrans-67.4-41.9178-172.165000112.3S191 V192 I193 L198 N199S191-L195 PolarHBondContact O-N 3.33Å; S191-L195 VanDerWaalsContact O-N 3.08Å; V192-L195 PolarHBondContact O-N 3.42Å; I193-L195 VanDerWaalsContact C-N 3.34Å; I193-L195 PolarHBondContact O-N 2.92Å; L195-L198 PolarHBondContact O-N 2.95Å; L195-N199 WeakPolarHBondContact O-CB 3.41Å; L195-N199 PolarHBondContact O-N 2.97Å
196I79.4Confident71.7Confident87 Ų8763.3 Ų63.345%0.44635%0.348SS..Hα-helixtrans-62.2-45.9175.7-69.4168.4000110.2V192 I193 L198 N199 N200V192-I196 HydrophobicContact CG1-CD1 3.69Å; V192-I196 HydrophobicContact CG1-CG1 4.3Å; V192-I196 VanDerWaalsContact O-CG1 3.3Å; V192-I196 WeakPolarHBondContact O-CG1 3.22Å; V192-I196 PolarHBondContact O-N 2.94Å; I193-I196 PolarHBondContact O-N 2.93Å; I196-L198 VanDerWaalsContact C-N 3.34Å; I196-L198 PolarHBondContact O-N 2.83Å; I196-N199 PolarHBondContact O-N 3.13Å; I196-N200 WeakPolarHBondContact CG2-ND2 3.48Å; I196-N200 WeakPolarHBondContact O-CB 3.39Å; I196-N200 VanDerWaalsContact O-CG 3.3Å; I196-N200 PolarHBondContact O-N 3.47Å; I196-N200 PolarHBondContact O-ND2 2.82Å
197M73.2Confident70.3Confident53 Ų5368.3 Ų68.326%0.26137%0.369SS..Hα-helixtrans-64.1-40.7179.5-71.3-69.6-73.500111.5L132 M135 I193 S194 F201L132-M197 HydrophobicContact CD1-CB 3.54Å; L132-M197 HydrophobicContact CD1-CE 4.25Å; M135-M197 HydrophobicContact CB-CE 4.39Å; I193-M197 HydrophobicContact CG2-CG 4.19Å; I193-M197 WeakPolarHBondContact O-CB 3.29Å; I193-M197 WeakPolarHBondContact O-CG 3.42Å; I193-M197 PolarHBondContact O-N 2.74Å; S194-M197 PolarHBondContact O-N 2.74Å; M197-F201 WeakPolarHBondContact O-CB 2.99Å; M197-F201 PolarHBondContact O-N 3.4Å
198L74.4Confident68.7Low31 Ų3168.6 Ų68.616%0.16237%0.373CS..Hα-helixtrans-64.3-46.3174.7-177.760.3000111.7F123 T127 L132 S194 L195 I196 F201 C202F123-L198 HydrophobicContact CE1-CD2 3.66Å; F123-L198 HydrophobicContact CZ-CD2 3.41Å; F123-L198 VanDerWaalsContact CZ-CD2 3.41Å; T127-L198 HydrophobicContact CG2-CD1 3.66Å; T127-L198 HydrophobicContact CG2-CD2 4.4Å; L132-L198 HydrophobicContact CD2-CD1 3.93Å; S194-L198 WeakPolarHBondContact O-CB 3.46Å; S194-L198 PolarHBondContact O-N 3.46Å; L195-L198 PolarHBondContact O-N 2.95Å; I196-L198 VanDerWaalsContact C-N 3.34Å; I196-L198 PolarHBondContact O-N 2.83Å; L198-F201 PolarHBondContact O-N 3.36Å; L198-C202 WeakPolarHBondContact O-CB 3.48Å; L198-C202 PolarHBondContact O-N 2.79Å
199N76.3Confident66.9Low97 Ų9769.2 Ų69.252%0.51938%0.379SS..Hα-helixtrans-60.3-50.4176.4-96.2-12.8000111L195 I196 F201 C202 T203L195-N199 WeakPolarHBondContact O-CB 3.41Å; L195-N199 PolarHBondContact O-N 2.97Å; I196-N199 PolarHBondContact O-N 3.13Å; N199-F201 VanDerWaalsContact C-N 3.32Å; N199-F201 PolarHBondContact O-N 3.47Å; N199-C202 PolarHBondContact O-N 2.99Å; N199-C202 VanDerWaalsContact O-N 3.16Å; N199-T203 WeakPolarHBondContact O-CB 3.36Å; N199-T203 PolarHBondContact O-N 3.14Å; N199-T203 PolarHBondContact O-OG1 3.3Å
200N70.5Confident65.1Low99 Ų9966.8 Ų66.853%0.52938%0.375SS..Hα-helixtrans-59.9-41.1-179.9-75-19.3000112.2I196 L204I196-N200 WeakPolarHBondContact CG2-ND2 3.48Å; I196-N200 WeakPolarHBondContact O-CB 3.39Å; I196-N200 VanDerWaalsContact O-CG 3.3Å; I196-N200 PolarHBondContact O-N 3.47Å; I196-N200 PolarHBondContact O-ND2 2.82Å; N200-L204 VanDerWaalsContact O-CB 3.25Å; N200-L204 WeakPolarHBondContact O-CB 3.48Å; N200-L204 PolarHBondContact O-N 3.37Å
201F68Low63.1Low48 Ų4869.3 Ų69.321%0.21139%0.394CS..Hα-helixtrans-69.8-39.8175.5-103.4-84.8000112.6I129 V131 L132 M197 L198 N199 L204 C205I129-F201 HydrophobicContact CD1-CB 4.1Å; I129-F201 HydrophobicContact CD1-CD1 4.4Å; I129-F201 HydrophobicContact CG2-CD1 3.77Å; I129-F201 HydrophobicContact CG2-CE1 3.92Å; I129-F201 HydrophobicContact CG2-CG 4.41Å; V131-F201 HydrophobicContact CB-CZ 4.13Å; V131-F201 HydrophobicContact CG1-CZ 3.9Å; L132-F201 HydrophobicContact CB-CD2 4.39Å; L132-F201 HydrophobicContact CD1-CD2 4.15Å; M197-F201 WeakPolarHBondContact O-CB 2.99Å; M197-F201 PolarHBondContact O-N 3.4Å; L198-F201 PolarHBondContact O-N 3.36Å; N199-F201 VanDerWaalsContact C-N 3.32Å; N199-F201 PolarHBondContact O-N 3.47Å; F201-L204 PolarHBondContact O-N 3.41Å; F201-C205 WeakPolarHBondContact O-CB 3.47Å; F201-C205 PolarHBondContact O-N 3.18Å; F201-C205 PolarHBondContact O-SG 2.99Å
202C63.6Low61.3Low63 Ų6374.4 Ų74.443%0.42642%0.418SS..Hα-helixtrans-65.1-42.7177.4-152.70000110.5L198 N199 C205 L206L198-C202 WeakPolarHBondContact O-CB 3.48Å; L198-C202 PolarHBondContact O-N 2.79Å; N199-C202 PolarHBondContact O-N 2.99Å; N199-C202 VanDerWaalsContact O-N 3.16Å; C202-C205 PolarHBondContact O-N 3.5Å; C202-L206 WeakPolarHBondContact O-CB 3.3Å; C202-L206 WeakPolarHBondContact O-CG 3.2Å; C202-L206 PolarHBondContact O-N 3.21Å
203T59.2Low59.5Low63 Ų6375 Ų7539%0.38743%0.426SS..Hα-helixtrans-62.7-43.7172.2-53.10000111.2N199 C205 L206 F207N199-T203 WeakPolarHBondContact O-CB 3.36Å; N199-T203 PolarHBondContact O-N 3.14Å; N199-T203 PolarHBondContact O-OG1 3.3Å; T203-C205 VanDerWaalsContact C-N 3.33Å; T203-C205 PolarHBondContact O-N 3.35Å; T203-L206 PolarHBondContact O-N 2.95Å; T203-F207 HydrophobicContact CG2-CD2 3.44Å; T203-F207 VanDerWaalsContact CG2-CD2 3.44Å; T203-F207 HydrophobicContact CG2-CE2 3.71Å; T203-F207 WeakPolarHBondContact O-CB 2.79Å; T203-F207 WeakPolarHBondContact O-CD2 3.46Å; T203-F207 PolarHBondContact O-N 3.49Å
204L58.9Low57.8Low112 Ų11274.7 Ų74.759%0.58643%0.434SS*.Hα-helixtrans-65.1-34176.3-170.372.6000112.3N200 F201 G208N200-L204 VanDerWaalsContact O-CB 3.25Å; N200-L204 WeakPolarHBondContact O-CB 3.48Å; N200-L204 PolarHBondContact O-N 3.37Å; F201-L204 PolarHBondContact O-N 3.41Å; L204-G208 WeakPolarHBondContact O-CA 3.34Å; L204-G208 PolarHBondContact O-N 3.39Å
205C54.6Low55.8Low81 Ų8177.2 Ų77.255%0.54745%0.452SS..Hα-helixtrans-70.3-38173.3-76.30000112F201 C202 T203 S209F201-C205 WeakPolarHBondContact O-CB 3.47Å; F201-C205 PolarHBondContact O-N 3.18Å; F201-C205 PolarHBondContact O-SG 2.99Å; C202-C205 PolarHBondContact O-N 3.5Å; T203-C205 VanDerWaalsContact C-N 3.33Å; T203-C205 PolarHBondContact O-N 3.35Å; C205-S209 PolarHBondContact O-N 3.19Å; C205-S209 PolarHBondContact O-OG 3.34Å
206L48.7Very low54.2Low121 Ų12177.8 Ų77.863%0.63446%0.462SS*.Hα-helixtrans-75.5-35.1178.8-71.8169.5000113.5C202 T203 S209C202-L206 WeakPolarHBondContact O-CB 3.3Å; C202-L206 WeakPolarHBondContact O-CG 3.2Å; C202-L206 PolarHBondContact O-N 3.21Å; T203-L206 PolarHBondContact O-N 2.95Å; L206-S209 PolarHBondContact O-OG 3.13Å
207F50.6Low52.4Low134 Ų13479.8 Ų79.859%0.58847%0.472SS*.Hα-helixtrans-91.3-21.1174.7-79.9-86.1000112.7T203 S209 S210 S211T203-F207 HydrophobicContact CG2-CD2 3.44Å; T203-F207 VanDerWaalsContact CG2-CD2 3.44Å; T203-F207 HydrophobicContact CG2-CE2 3.71Å; T203-F207 WeakPolarHBondContact O-CB 2.79Å; T203-F207 WeakPolarHBondContact O-CD2 3.46Å; T203-F207 PolarHBondContact O-N 3.49Å; F207-S209 VanDerWaalsContact C-N 3.33Å; F207-S210 WeakPolarHBondContact CA-OG 3.37Å; F207-S210 CarbonylContact O-C 3.6Å; F207-S210 PolarHBondContact O-N 3.43Å; F207-S210 VanDerWaalsContact O-N 3.15Å; F207-S210 PolarHBondContact O-OG 3.05Å; F207-S211 WeakPolarHBondContact O-CB 3.38Å; F207-S211 PolarHBondContact O-N 3.33Å; F207-S211 PolarHBondContact O-OG 3.47Å
208G43.6Very low50.8Low11 Ų1182.5 Ų82.511%0.11349%0.487CS..Hα-helixtrans-64.6-39.8172.300000111L204 S210 S211 I212L204-G208 WeakPolarHBondContact O-CA 3.34Å; L204-G208 PolarHBondContact O-N 3.39Å; G208-S210 PolarHBondContact O-N 3.33Å; G208-S211 WeakPolarHBondContact CA-OG 3.49Å; G208-S211 PolarHBondContact O-N 3.11Å; G208-S211 VanDerWaalsContact O-N 3.17Å; G208-S211 PolarHBondContact O-OG 2.94Å; G208-I212 WeakPolarHBondContact O-CB 3.27Å; G208-I212 VanDerWaalsContact O-CD1 3.31Å; G208-I212 WeakPolarHBondContact O-CD1 3.25Å; G208-I212 WeakPolarHBondContact O-CG1 3.5Å; G208-I212 PolarHBondContact O-N 2.9Å
209S42.3Very low49.1Very low88 Ų8889 Ų8962%0.61552%0.516SS*.Hα-helixtrans-65.2-22.5172.655.60000113.2C205 L206 F207C205-S209 PolarHBondContact O-N 3.19Å; C205-S209 PolarHBondContact O-OG 3.34Å; L206-S209 PolarHBondContact O-OG 3.13Å; F207-S209 VanDerWaalsContact C-N 3.33Å
210S38.8Very low47.5Very low70 Ų7091.4 Ų91.449%0.4952%0.524SS..Hα-helixtrans-92.7-14.4172.159.90000114.8F207 G208 S213F207-S210 WeakPolarHBondContact CA-OG 3.37Å; F207-S210 CarbonylContact O-C 3.6Å; F207-S210 PolarHBondContact O-N 3.43Å; F207-S210 VanDerWaalsContact O-N 3.15Å; F207-S210 PolarHBondContact O-OG 3.05Å; G208-S210 PolarHBondContact O-N 3.33Å; S210-S213 PolarHBondContact O-OG 2.6Å; S210-S213 VanDerWaalsContact O-OG 3.13Å
211S36.5Very low46.1Very low64 Ų6494.2 Ų94.245%0.44853%0.534SS..Hα-helixtrans-106.3-14.6179.851.20000114.5F207 G208 S213 A214 S215F207-S211 WeakPolarHBondContact O-CB 3.38Å; F207-S211 PolarHBondContact O-N 3.33Å; F207-S211 PolarHBondContact O-OG 3.47Å; G208-S211 WeakPolarHBondContact CA-OG 3.49Å; G208-S211 PolarHBondContact O-N 3.11Å; G208-S211 VanDerWaalsContact O-N 3.17Å; G208-S211 PolarHBondContact O-OG 2.94Å; S211-S213 PolarHBondContact O-N 3.41Å; S211-A214 WeakPolarHBondContact O-CB 3.3Å; S211-A214 PolarHBondContact O-N 3.44Å; S211-S215 PolarHBondContact O-N 2.95Å
212I39.4Very low44.4Very low122 Ų122101.4 Ų101.463%0.62656%0.562SS**THydrogen-bonded Turntrans-67.4-15.4170.6-69.2161.2000111.7G208 A214 S215G208-I212 WeakPolarHBondContact O-CB 3.27Å; G208-I212 VanDerWaalsContact O-CD1 3.31Å; G208-I212 WeakPolarHBondContact O-CD1 3.25Å; G208-I212 WeakPolarHBondContact O-CG1 3.5Å; G208-I212 PolarHBondContact O-N 2.9Å; I212-A214 VanDerWaalsContact C-N 3.33Å; I212-S215 PolarHBondContact O-OG 3.17Å
213S40.7Very low43.3Very low88 Ų88111.4 Ų111.462%0.61559%0.592SS**THydrogen-bonded Turntrans-73.9-22.5166.557.90000113.2S210 S211 S216S210-S213 PolarHBondContact O-OG 2.6Å; S210-S213 VanDerWaalsContact O-OG 3.13Å; S211-S213 PolarHBondContact O-N 3.41Å; S213-S216 PolarHBondContact O-OG 3.47Å; S213-S216 VanDerWaalsContact O-OG 3.12Å
214A42.1Very low42.5Very low62 Ų62113.9 Ų113.951%0.51260%0.603SS.*THydrogen-bonded Turntrans-90.1-18-179.600000113.8S211 I212 S216 L217S211-A214 WeakPolarHBondContact O-CB 3.3Å; S211-A214 PolarHBondContact O-N 3.44Å; I212-A214 VanDerWaalsContact C-N 3.33Å; A214-S216 PolarHBondContact O-N 3.22Å; A214-L217 PolarHBondContact O-N 3.41Å
215S35.9Very low41.6Very low56 Ų56113.9 Ų113.939%0.39260%0.603SS.*G310 helixtrans-76.82177600000114.4S211 I212 L217 I218S211-S215 PolarHBondContact O-N 2.95Å; I212-S215 PolarHBondContact O-OG 3.17Å; S215-L217 PolarHBondContact O-N 3.24Å; S215-I218 PolarHBondContact O-N 3.22Å
216S41.3Very low40.9Very low84 Ų84115.8 Ų115.859%0.58761%0.607SS**G310 helixtrans-55-13.4160.353.90000113S213 A214S213-S216 PolarHBondContact O-OG 3.47Å; S213-S216 VanDerWaalsContact O-OG 3.12Å; A214-S216 PolarHBondContact O-N 3.22Å
217L41.9Very low40.4Very low128 Ų128115.5 Ų115.567%0.6761%0.605SS**G310 helixtrans-82.1-16.3172.5-78.5164.2000115.5A214 S215A214-L217 PolarHBondContact O-N 3.41Å; S215-L217 PolarHBondContact O-N 3.24Å
218I40.1Very low39.8Very low110 Ų110114.3 Ų114.356%0.56461%0.606SS**THydrogen-bonded Turntrans-93-22.6-178.8-58.4175.4000112S215 Q220 Q221S215-I218 PolarHBondContact O-N 3.22Å; I218-Q220 PolarHBondContact O-N 3.24Å; I218-Q221 PolarHBondContact O-N 3.48Å; I218-Q221 VanDerWaalsContact O-N 3.13Å
219Q39Very low39.5Very low168 Ų168121.2 Ų121.279%0.78564%0.639SS**G310 helixtrans-73.9-6.9172.8-105.6172.7-4100114
220Q42Very low39.3Very low147 Ų147123.6 Ų123.669%0.68764%0.641SS**G310 helixtrans-84.1-2.6166.7-90.2-172.8-21.100114.4I218I218-Q220 PolarHBondContact O-N 3.24Å
221Q40.4Very low39.4Very low158 Ų158127.7 Ų127.774%0.73865%0.652SS**G310 helixtrans-101.16.5171.4-79.4-163.9-46.200114.8I218I218-Q221 PolarHBondContact O-N 3.48Å; I218-Q221 VanDerWaalsContact O-N 3.13Å
222Y33.2Very low39.6Very low200 Ų200133 Ų13378%0.78467%0.669SS**  trans-127.256.9168-66.9-83.6000110.3
223Y39Very low39.6Very low273 Ų273134 Ų134100%1.07167%0.673SS**  trans-83.30134.4-86.7-81000107.7

Retrieved 223 of 223 residues in 208.7 ms (Link to these results)

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